#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qcx s MET 1 N 0.00 0.79 0.26 1.61 0.00 -1.26 -4.96 119.30 115.74 2qcx s MET 1 Ca 0.00 0.80 -0.31 0.00 0.00 0.00 0.00 55.69 56.18 2qcx s MET 1 Cb 0.00 -1.76 -0.12 0.00 0.00 0.00 0.00 34.83 32.96 2qcx s MET 1 CO 0.00 -2.56 1.63 1.63 0.00 0.00 0.00 175.02 175.72 2qcx n LYS 2 N -4.10 2.69 -0.10 3.16 4.76 -1.26 -4.89 118.16 118.42 2qcx n LYS 2 Ca 0.06 0.96 0.01 0.00 -2.87 0.00 0.00 58.31 56.47 2qcx n LYS 2 Cb 0.55 -2.76 0.30 0.00 -1.84 0.00 0.00 35.03 31.29 2qcx n LYS 2 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 2qcx h PHE 3 N 5.35 0.74 -0.99 2.13 -0.00 -1.93 -1.50 116.94 120.74 2qcx h PHE 3 Ca -0.46 -0.01 0.16 0.00 -0.00 0.00 0.00 57.97 57.67 2qcx h PHE 3 Cb 1.22 -0.24 -0.09 0.00 -0.00 0.00 0.00 35.95 36.84 2qcx h PHE 3 CO 0.60 0.51 0.62 0.66 -0.00 0.00 0.00 178.31 180.70 2qcx h SER 4 N 0.77 0.81 0.37 0.41 4.64 -1.91 0.16 113.55 118.79 2qcx h SER 4 Ca 0.20 0.07 -0.22 0.00 -0.47 0.00 0.00 61.79 61.37 2qcx h SER 4 Cb 0.02 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2qcx h SER 4 CO -0.03 0.36 -0.93 -0.33 -0.87 0.00 0.00 176.83 175.03 2qcx h GLU 5 N 0.83 0.38 -0.37 4.77 4.39 -1.68 -2.25 114.58 120.65 2qcx h GLU 5 Ca 0.53 -0.41 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 2qcx h GLU 5 Cb 0.75 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 2qcx h GLU 5 CO -0.31 1.08 -0.06 1.49 -1.16 0.00 0.00 179.01 180.05 2qcx h GLU 6 N 0.21 0.62 0.07 2.33 4.81 -0.50 -1.14 114.58 120.98 2qcx h GLU 6 Ca -0.07 -0.17 -0.27 0.00 -0.13 0.00 0.00 59.36 58.72 2qcx h GLU 6 Cb 1.56 -0.07 0.02 0.00 0.63 0.00 0.00 28.75 30.89 2qcx h GLU 6 CO 0.16 0.68 -1.14 0.00 -0.73 0.00 0.00 179.01 177.98 2qcx h ARG 8 N 0.27 0.65 -0.60 0.00 2.43 -1.31 -1.51 114.38 114.32 2qcx h ARG 8 Ca -0.15 -0.18 0.09 0.00 -0.81 0.00 0.00 59.98 58.92 2qcx h ARG 8 Cb 1.80 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 31.21 2qcx h ARG 8 CO 0.21 0.72 0.24 0.77 -1.51 0.00 0.00 179.97 180.40 2qcx h SER 9 N 0.50 0.27 -0.44 -3.80 0.02 -1.29 -1.21 113.55 107.59 2qcx h SER 9 Ca 0.12 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 2qcx h SER 9 Cb 0.39 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 2qcx h SER 9 CO 0.01 0.16 0.29 0.00 -1.14 0.00 0.00 176.83 176.16 2qcx h ALA 10 N 1.40 1.83 -0.56 3.77 0.00 -1.08 -1.64 119.26 122.97 2qcx h ALA 10 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2qcx h ALA 10 Cb 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2qcx h ALA 10 CO -0.28 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.09 2qcx n ALA 11 N -2.49 2.92 -0.23 0.00 0.00 -0.61 -4.69 120.51 115.41 2qcx n ALA 11 Ca 0.05 -1.29 0.03 0.00 0.00 0.00 0.00 53.44 52.22 2qcx n ALA 11 Cb 0.16 -1.01 0.13 0.00 0.00 0.00 0.00 19.45 18.72 2qcx n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qcx h ALA 12 N 3.95 0.68 -0.89 0.00 0.00 -0.23 -1.33 119.26 121.44 2qcx h ALA 12 Ca 0.00 0.21 0.22 0.00 0.00 0.00 0.00 54.91 55.35 2qcx h ALA 12 Cb 1.20 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 19.23 2qcx h ALA 12 CO 0.17 -0.40 0.36 1.49 0.00 0.00 0.00 179.25 180.86 2qcx h GLU 13 N 0.11 0.35 0.00 0.00 4.81 -1.84 0.12 114.58 118.14 2qcx h GLU 13 Ca 0.36 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.50 2qcx h GLU 13 Cb 0.61 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2qcx h GLU 13 CO -0.59 0.23 -1.13 -1.49 -0.73 0.00 0.00 179.01 175.30 2qcx h TRP 14 N 0.36 0.00 0.08 0.92 6.55 -1.59 -1.30 115.95 120.96 2qcx h TRP 14 Ca 0.56 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.39 2qcx h TRP 14 Cb 1.07 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.37 2qcx h TRP 14 CO -0.16 0.27 -0.04 -1.49 -1.05 0.00 0.00 178.44 175.97 2qcx h TRP 15 N 0.00 -0.10 -0.42 0.49 4.06 -0.91 -2.38 115.95 116.69 2qcx h TRP 15 Ca -0.07 -0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.81 2qcx h TRP 15 Cb 1.27 0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 29.44 2qcx h TRP 15 CO 0.00 0.45 -0.01 0.93 -3.56 0.00 0.00 178.44 176.25 2qcx h GLU 16 N -0.83 0.69 -0.82 0.49 4.39 -0.90 -2.28 114.58 115.30 2qcx h GLU 16 Ca -0.01 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.54 2qcx h GLU 16 Cb 0.60 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 2qcx h GLU 16 CO 0.02 0.71 0.54 0.78 -1.16 0.00 0.00 179.01 179.90 2qcx h GLY 17 N 0.94 1.16 1.13 -3.84 0.00 -1.32 -2.70 103.07 98.44 2qcx h GLY 17 Ca 0.13 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 2qcx h GLY 17 CO 0.02 0.37 0.14 1.76 0.00 0.00 0.00 176.54 178.83 2qcx h SER 18 N 1.05 1.02 0.50 0.19 0.02 -0.86 -2.41 113.55 113.06 2qcx h SER 18 Ca 0.32 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2qcx h SER 18 Cb -0.02 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 2qcx h SER 18 CO -0.09 0.99 -0.32 -0.26 -1.14 0.00 0.00 176.83 176.01 2qcx h PHE 19 N 1.01 0.00 -0.44 3.45 0.05 -1.30 -2.88 116.94 116.84 2qcx h PHE 19 Ca 0.21 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.00 2qcx h PHE 19 Cb 0.39 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.34 2qcx h PHE 19 CO 0.03 0.32 0.00 1.33 -0.18 0.00 0.00 178.31 179.81 2qcx n VAL 20 N -3.84 1.36 -2.28 -0.55 0.24 -1.18 -4.66 118.33 107.42 2qcx n VAL 20 Ca -0.01 -1.19 -0.41 0.00 -2.04 0.00 0.00 64.34 60.69 2qcx n VAL 20 Cb 0.40 0.31 -0.03 0.00 -1.47 0.00 0.00 33.84 33.05 2qcx n VAL 20 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2qcx s HIS 21 N -1.46 3.32 0.48 6.34 5.04 -0.91 -4.88 115.29 123.22 2qcx s HIS 21 Ca 0.35 1.29 0.22 0.00 -1.54 0.00 0.00 55.06 55.37 2qcx s HIS 21 Cb 0.21 -3.54 1.25 0.00 0.04 0.00 0.00 32.58 30.54 2qcx s HIS 21 CO 0.19 -1.65 1.94 -1.35 -2.34 0.00 0.00 174.74 171.53 2qcx h PRO 22 N 5.41 0.19 -0.25 2.88 0.11 -1.91 0.12 132.00 138.55 2qcx h PRO 22 Ca -0.44 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 2qcx h PRO 22 Cb 1.21 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2qcx h PRO 22 CO 0.77 0.12 -0.22 0.35 -0.21 0.00 0.00 178.00 178.81 2qcx h PHE 23 N 0.19 0.70 -0.06 0.65 3.04 -1.92 -0.48 116.94 119.06 2qcx h PHE 23 Ca 0.34 -0.20 -0.02 0.00 3.98 0.00 0.00 57.97 62.07 2qcx h PHE 23 Cb 1.06 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 39.42 2qcx h PHE 23 CO -0.00 0.90 -0.03 0.28 -2.02 0.00 0.00 178.31 177.44 2qcx h VAL 24 N 0.30 1.32 0.00 1.41 2.07 -1.39 -2.38 116.25 117.58 2qcx h VAL 24 Ca 0.04 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2qcx h VAL 24 Cb 0.77 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2qcx h VAL 24 CO 0.06 0.28 0.00 0.06 0.02 0.00 0.00 177.57 177.99 2qcx h GLN 25 N -0.24 0.00 -0.38 1.57 3.07 -1.14 -2.56 115.11 115.42 2qcx h GLN 25 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.64 2qcx h GLN 25 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.01 2qcx h GLN 25 CO 0.01 0.00 -0.22 0.78 0.09 0.00 0.00 178.83 179.49 2qcx h GLY 26 N 3.75 0.82 1.73 0.06 0.00 -0.97 -1.74 103.07 106.73 2qcx h GLY 26 Ca 0.00 -0.69 -0.12 0.00 0.00 0.00 0.00 47.33 46.51 2qcx h GLY 26 CO 0.00 0.63 -0.47 -2.22 0.00 0.00 0.00 176.54 174.48 2qcx h ILE 27 N 0.66 1.33 -0.01 2.60 2.04 -1.12 -1.86 117.51 121.16 2qcx h ILE 27 Ca 0.09 -1.68 -0.00 0.00 1.00 0.00 0.00 64.86 64.27 2qcx h ILE 27 Cb 0.72 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 2qcx h ILE 27 CO 0.06 0.50 -0.01 1.23 0.00 0.00 0.00 178.15 179.93 2qcx h GLY 28 N 1.27 0.03 0.03 5.37 0.00 -1.25 -3.33 103.07 105.20 2qcx h GLY 28 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2qcx h GLY 28 CO 0.08 0.03 -0.22 2.09 0.00 0.00 0.00 176.54 178.52 2qcx n ASP 29 N -4.84 1.18 0.00 0.19 3.85 -0.67 -2.81 116.55 113.44 2qcx n ASP 29 Ca -0.08 -1.04 0.00 0.00 -0.71 0.00 0.00 54.79 52.96 2qcx n ASP 29 Cb 0.25 0.12 0.00 0.00 -1.35 0.00 0.00 41.12 40.14 2qcx n ASP 29 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qcx n GLY 30 N 1.31 0.54 0.00 6.12 0.00 -0.97 -4.62 105.19 107.58 2qcx n GLY 30 Ca 0.13 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.90 2qcx n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qcx n THR 31 N -2.83 0.01 -1.79 2.61 -2.24 -0.77 -4.94 114.28 104.33 2qcx n THR 31 Ca 0.00 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 2qcx n THR 31 Cb 0.00 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 2qcx n THR 31 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2qcx s LEU 32 N -3.07 4.34 0.29 3.22 2.96 -0.80 -4.92 118.68 120.69 2qcx s LEU 32 Ca 0.08 2.47 -0.30 0.00 -0.22 0.00 0.00 54.13 56.16 2qcx s LEU 32 Cb 0.16 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 43.19 2qcx s LEU 32 CO 0.83 -1.06 1.37 -2.65 -1.32 0.00 0.00 176.35 173.52 2qcx n PRO 33 N 7.47 2.12 0.01 0.98 -0.02 -1.26 -4.89 135.00 139.41 2qcx n PRO 33 Ca 0.19 0.75 -0.02 0.00 -2.02 0.00 0.00 63.50 62.40 2qcx n PRO 33 Cb 0.42 -2.38 0.24 0.00 -0.02 0.00 0.00 33.50 31.76 2qcx n PRO 33 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2qcx h ILE 34 N 2.86 1.24 -0.03 4.25 6.09 -1.99 -2.22 117.51 127.71 2qcx h ILE 34 Ca -0.46 -1.07 0.00 0.00 -1.37 0.00 0.00 64.86 61.97 2qcx h ILE 34 Cb 1.27 1.19 -0.00 0.00 0.47 0.00 0.00 36.82 39.75 2qcx h ILE 34 CO 0.71 0.35 0.02 -2.24 -3.07 0.00 0.00 178.15 173.91 2qcx h ASP 35 N 0.45 0.02 0.38 2.19 3.04 -1.99 -0.16 116.42 120.35 2qcx h ASP 35 Ca 0.08 -0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.62 2qcx h ASP 35 Cb 0.53 -0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.82 2qcx h ASP 35 CO 0.03 0.01 -1.08 0.03 -2.04 0.00 0.00 179.24 176.20 2qcx h ARG 36 N 0.02 0.41 -0.08 4.15 3.08 -1.69 -2.02 114.38 118.25 2qcx h ARG 36 Ca 0.01 -0.52 -0.15 0.00 0.07 0.00 0.00 59.98 59.39 2qcx h ARG 36 Cb 0.03 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2qcx h ARG 36 CO -0.00 1.19 -0.62 0.35 -1.07 0.00 0.00 179.97 179.81 2qcx h PHE 37 N 0.20 0.37 -0.65 3.04 3.04 -1.36 -2.31 116.94 119.27 2qcx h PHE 37 Ca -0.11 -0.14 -0.08 0.00 3.98 0.00 0.00 57.97 61.61 2qcx h PHE 37 Cb 1.74 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 40.16 2qcx h PHE 37 CO 0.07 0.83 0.08 -0.22 -2.02 0.00 0.00 178.31 177.05 2qcx h LYS 38 N 0.21 1.08 -0.37 1.11 3.64 -1.02 -1.57 116.57 119.66 2qcx h LYS 38 Ca -0.01 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.01 2qcx h LYS 38 Cb 1.14 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2qcx h LYS 38 CO 0.10 1.01 -0.01 -0.92 -2.27 0.00 0.00 179.45 177.36 2qcx h TYR 39 N 1.01 0.71 -0.49 1.91 5.03 -1.33 -2.99 116.97 120.81 2qcx h TYR 39 Ca 0.19 -0.13 0.10 0.00 2.58 0.00 0.00 58.73 61.48 2qcx h TYR 39 Cb 0.47 -0.18 -0.09 0.00 1.55 0.00 0.00 36.73 38.48 2qcx h TYR 39 CO 0.03 0.75 -0.04 -0.92 -1.32 0.00 0.00 178.16 176.66 2qcx h TYR 40 N 0.46 -0.11 -0.82 -3.82 5.03 -1.25 -2.30 116.97 114.16 2qcx h TYR 40 Ca 0.10 0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.41 2qcx h TYR 40 Cb 0.47 0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.84 2qcx h TYR 40 CO 0.04 -0.15 0.36 0.28 -1.32 0.00 0.00 178.16 177.37 2qcx h VAL 41 N 0.07 1.26 -0.37 1.81 2.07 -1.17 0.48 116.25 120.41 2qcx h VAL 41 Ca 0.24 -0.78 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 2qcx h VAL 41 Cb 0.37 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2qcx h VAL 41 CO -0.45 0.33 -0.15 -0.07 0.02 0.00 0.00 177.57 177.25 2qcx h LEU 42 N 1.19 0.77 -0.84 2.57 3.38 -1.41 -0.42 115.31 120.54 2qcx h LEU 42 Ca 0.28 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2qcx h LEU 42 Cb 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2qcx h LEU 42 CO -0.03 0.99 0.01 1.56 0.09 0.00 0.00 178.44 181.06 2qcx h GLN 43 N 0.55 0.87 -0.00 1.13 1.08 -0.98 -2.50 115.11 115.25 2qcx h GLN 43 Ca 0.09 -0.24 -0.16 0.00 -1.45 0.00 0.00 58.65 56.89 2qcx h GLN 43 Cb 0.69 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 2qcx h GLN 43 CO 0.05 0.86 -0.74 0.22 -0.95 0.00 0.00 178.83 178.27 2qcx h ASP 44 N 0.81 0.01 -0.50 1.46 3.58 0.10 -0.68 116.42 121.19 2qcx h ASP 44 Ca 0.15 -0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.50 2qcx h ASP 44 Cb 0.47 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2qcx h ASP 44 CO 0.02 0.74 -0.04 -1.28 -2.88 0.00 0.00 179.24 175.80 2qcx h SER 45 N 0.00 0.94 -0.10 2.28 0.87 -0.99 0.01 113.55 116.56 2qcx h SER 45 Ca -0.01 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2qcx h SER 45 Cb 1.30 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2qcx h SER 45 CO 0.10 1.02 0.04 0.22 -0.53 0.00 0.00 176.83 177.67 2qcx h TYR 46 N 0.87 0.16 -0.31 2.24 3.20 -1.22 -2.85 116.97 119.05 2qcx h TYR 46 Ca 0.15 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.07 2qcx h TYR 46 Cb 0.57 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.73 2qcx h TYR 46 CO 0.04 0.28 -0.07 -0.92 -1.64 0.00 0.00 178.16 175.84 2qcx h TYR 47 N -0.01 -0.16 -0.38 -3.82 3.20 -0.93 -2.84 116.97 112.03 2qcx h TYR 47 Ca 0.03 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 2qcx h TYR 47 Cb 0.19 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 2qcx h TYR 47 CO -0.01 -0.13 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.28 2qcx h LEU 48 N 0.00 0.59 -0.44 2.82 3.38 -1.01 0.06 115.31 120.71 2qcx h LEU 48 Ca 0.15 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.07 2qcx h LEU 48 Cb 0.23 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 2qcx h LEU 48 CO -0.32 0.68 -0.02 0.74 0.09 0.00 0.00 178.44 179.61 2qcx h THR 49 N 0.58 0.64 0.08 0.22 2.02 -1.26 -1.17 112.91 114.02 2qcx h THR 49 Ca 0.12 -0.03 -0.25 0.00 0.77 0.00 0.00 66.41 67.01 2qcx h THR 49 Cb 0.42 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2qcx h THR 49 CO 0.02 0.02 -1.15 0.45 0.37 0.00 0.00 175.52 175.22 2qcx h HIS 50 N 0.09 0.33 -0.55 3.16 3.86 -1.33 -3.02 115.15 117.69 2qcx h HIS 50 Ca 0.22 -0.24 0.08 0.00 -1.16 0.00 0.00 60.37 59.27 2qcx h HIS 50 Cb 0.33 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.72 2qcx h HIS 50 CO -0.31 1.18 0.21 0.35 0.86 0.00 0.00 177.93 180.23 2qcx h PHE 51 N 0.05 0.36 -0.90 2.45 3.57 -0.84 -0.20 116.94 121.44 2qcx h PHE 51 Ca -0.09 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 2qcx h PHE 51 Cb 1.89 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 40.51 2qcx h PHE 51 CO 0.04 0.11 0.55 0.00 -2.23 0.00 0.00 178.31 176.79 2qcx h ALA 52 N 1.37 1.27 -0.24 2.41 0.00 -1.19 -1.11 119.26 121.76 2qcx h ALA 52 Ca 0.27 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 2qcx h ALA 52 Cb 0.30 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2qcx h ALA 52 CO -0.27 0.63 -0.36 0.87 0.00 0.00 0.00 179.25 180.12 2qcx h LYS 53 N 1.24 0.54 -0.25 0.00 1.57 -1.28 -2.19 116.57 116.20 2qcx h LYS 53 Ca 0.33 -0.25 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 2qcx h LYS 53 Cb -0.07 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2qcx h LYS 53 CO -0.06 0.82 -0.42 0.28 -0.57 0.00 0.00 179.45 179.50 2qcx h VAL 54 N 0.45 1.30 -0.33 0.50 2.07 -0.63 -1.11 116.25 118.50 2qcx h VAL 54 Ca 0.05 -1.59 -0.06 0.00 0.82 0.00 0.00 66.70 65.91 2qcx h VAL 54 Cb 0.84 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2qcx h VAL 54 CO 0.07 0.50 -0.05 1.56 0.02 0.00 0.00 177.57 179.67 2qcx h GLN 55 N 0.49 0.52 -0.32 1.57 4.20 -1.13 0.11 115.11 120.56 2qcx h GLN 55 Ca 0.04 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 2qcx h GLN 55 Cb 0.93 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 2qcx h GLN 55 CO 0.08 0.59 0.00 0.77 -0.67 0.00 0.00 178.83 179.61 2qcx h SER 56 N 0.50 0.55 -0.61 1.46 0.02 -1.15 -0.86 113.55 113.46 2qcx h SER 56 Ca 0.10 -0.31 0.07 0.00 -0.84 0.00 0.00 61.79 60.81 2qcx h SER 56 Cb 0.40 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 2qcx h SER 56 CO 0.02 0.72 0.30 -0.26 -1.14 0.00 0.00 176.83 176.47 2qcx h PHE 57 N 0.37 0.53 -0.42 3.45 0.04 -0.89 -0.78 116.94 119.24 2qcx h PHE 57 Ca 0.09 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.95 2qcx h PHE 57 Cb 0.44 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.39 2qcx h PHE 57 CO 0.04 0.22 0.11 0.78 -0.60 0.00 0.00 178.31 178.86 2qcx h GLY 58 N 0.54 0.52 0.75 -1.45 0.00 -0.72 -1.52 103.07 101.20 2qcx h GLY 58 Ca 0.29 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.61 2qcx h GLY 58 CO -0.22 -0.01 0.35 0.00 0.00 0.00 0.00 176.54 176.65 2qcx h ALA 59 N 1.30 0.81 -0.69 3.60 0.00 -0.56 0.06 119.26 123.78 2qcx h ALA 59 Ca 0.20 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2qcx h ALA 59 Cb 0.23 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2qcx h ALA 59 CO -0.24 0.04 0.46 0.00 0.00 0.00 0.00 179.25 179.51 2qcx h ALA 60 N 1.31 1.63 -0.00 0.00 0.00 -0.60 -2.69 119.26 118.90 2qcx h ALA 60 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2qcx h ALA 60 Cb 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2qcx h ALA 60 CO -0.15 0.29 -0.44 0.66 0.00 0.00 0.00 179.25 179.61 2qcx n TYR 61 N -4.46 0.00 -1.80 0.00 4.01 -0.62 -4.95 117.16 109.34 2qcx n TYR 61 Ca 0.09 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.45 2qcx n TYR 61 Cb 0.15 -0.15 0.04 0.00 -0.31 0.00 0.00 39.34 39.07 2qcx n TYR 61 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qcx s ALA 62 N -2.74 2.73 -0.16 -0.72 0.00 -0.05 -4.46 121.76 116.35 2qcx s ALA 62 Ca 0.17 1.29 0.29 0.00 0.00 0.00 0.00 51.96 53.71 2qcx s ALA 62 Cb 0.18 -3.56 0.93 0.00 0.00 0.00 0.00 23.12 20.68 2qcx s ALA 62 CO 0.63 -1.39 1.82 1.57 0.00 0.00 0.00 175.76 178.39 2qcx h LYS 63 N 1.28 0.00 -4.12 0.00 -0.00 -1.91 -3.45 116.57 108.37 2qcx h LYS 63 Ca -0.51 0.00 -0.18 0.00 -0.00 0.00 0.00 60.65 59.96 2qcx h LYS 63 Cb 1.31 0.00 -0.11 0.00 -0.00 0.00 0.00 32.23 33.42 2qcx h LYS 63 CO 0.56 0.00 -0.32 0.16 -0.00 0.00 0.00 179.45 179.85 2qcx s ASP 64 N -5.79 0.27 0.28 7.07 -4.77 -1.26 -5.06 116.67 107.39 2qcx s ASP 64 Ca 0.04 -1.23 0.02 0.00 -3.30 0.00 0.00 52.55 48.07 2qcx s ASP 64 Cb 0.08 0.53 0.40 0.00 -1.09 0.00 0.00 42.92 42.83 2qcx s ASP 64 CO 0.59 -1.06 1.73 0.25 0.70 0.00 0.00 175.17 177.37 2qcx h LEU 65 N 2.35 0.52 -0.26 2.11 5.85 -1.98 -2.08 115.31 121.81 2qcx h LEU 65 Ca -0.30 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 2qcx h LEU 65 Cb 1.25 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2qcx h LEU 65 CO 0.42 0.75 0.11 0.22 -0.34 0.00 0.00 178.44 179.59 2qcx h TYR 66 N 0.47 0.40 -0.10 1.25 5.03 -1.99 -1.55 116.97 120.47 2qcx h TYR 66 Ca 0.07 -0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.20 2qcx h TYR 66 Cb 0.64 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.79 2qcx h TYR 66 CO 0.02 0.40 -0.60 1.15 -1.32 0.00 0.00 178.16 177.82 2qcx h THR 67 N 0.27 1.36 -0.08 1.81 2.02 -1.94 -0.62 112.91 115.74 2qcx h THR 67 Ca 0.09 -1.93 0.03 0.00 0.77 0.00 0.00 66.41 65.37 2qcx h THR 67 Cb 0.17 1.94 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 2qcx h THR 67 CO -0.01 0.58 -0.11 0.74 0.37 0.00 0.00 175.52 177.09 2qcx h THR 68 N 0.26 0.70 -0.83 3.16 2.02 -1.35 -1.59 112.91 115.28 2qcx h THR 68 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 2qcx h THR 68 Cb 1.12 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 68.16 2qcx h THR 68 CO 0.10 0.00 0.49 1.23 0.37 0.00 0.00 175.52 177.71 2qcx h GLY 69 N -0.15 1.28 0.87 2.16 0.00 -0.87 -0.42 103.07 105.94 2qcx h GLY 69 Ca 0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2qcx h GLY 69 CO -0.17 0.17 -0.16 3.21 0.00 0.00 0.00 176.54 179.59 2qcx h ARG 70 N 0.84 -0.44 -0.64 4.80 2.47 -0.94 -0.86 114.38 119.62 2qcx h ARG 70 Ca 0.39 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 59.13 2qcx h ARG 70 Cb 0.31 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 2qcx h ARG 70 CO -0.22 -0.21 0.38 0.52 0.56 0.00 0.00 179.97 180.99 2qcx h MET 71 N -0.60 0.87 -0.26 0.04 2.86 -1.14 -0.80 114.93 115.91 2qcx h MET 71 Ca -0.05 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 2qcx h MET 71 Cb 0.44 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2qcx h MET 71 CO 0.08 0.62 0.09 0.00 1.06 0.00 0.00 176.91 178.76 2qcx h ALA 72 N 1.53 0.33 -0.83 6.32 0.00 -1.04 -0.35 119.26 125.22 2qcx h ALA 72 Ca 0.23 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.11 2qcx h ALA 72 Cb -0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 2qcx h ALA 72 CO -0.04 -0.06 0.47 1.03 0.00 0.00 0.00 179.25 180.65 2qcx h SER 73 N 0.26 0.67 -0.57 0.00 0.87 -0.68 -1.73 113.55 112.37 2qcx h SER 73 Ca 0.08 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2qcx h SER 73 Cb 0.20 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 2qcx h SER 73 CO -0.01 0.37 0.18 0.45 -0.53 0.00 0.00 176.83 177.30 2qcx h HIS 74 N 0.78 0.91 -0.71 2.24 3.86 -0.84 -1.69 115.15 119.70 2qcx h HIS 74 Ca 0.41 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 2qcx h HIS 74 Cb 0.39 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.56 2qcx h HIS 74 CO -0.06 0.76 0.46 0.00 0.86 0.00 0.00 177.93 179.95 2qcx h ALA 75 N 1.05 1.47 -0.09 2.45 0.00 -0.64 -1.34 119.26 122.15 2qcx h ALA 75 Ca 0.18 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 2qcx h ALA 75 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2qcx h ALA 75 CO -0.01 0.48 -0.57 0.37 0.00 0.00 0.00 179.25 179.52 2qcx h GLN 76 N 0.97 0.28 -0.47 0.00 4.15 -1.09 -2.78 115.11 116.17 2qcx h GLN 76 Ca 0.26 -0.18 -0.10 0.00 0.77 0.00 0.00 58.65 59.39 2qcx h GLN 76 Cb -0.09 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 2qcx h GLN 76 CO -0.05 0.78 -0.13 0.78 -1.93 0.00 0.00 178.83 178.28 2qcx h GLY 77 N 1.39 0.95 0.98 2.39 0.00 -0.60 -2.61 103.07 105.57 2qcx h GLY 77 Ca -0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 2qcx h GLY 77 CO 0.09 0.69 0.26 -0.84 0.00 0.00 0.00 176.54 176.74 2qcx h THR 78 N 0.78 1.18 -0.32 4.70 2.02 -1.16 0.43 112.91 120.54 2qcx h THR 78 Ca 0.12 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.85 2qcx h THR 78 Cb 0.65 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2qcx h THR 78 CO 0.04 0.19 0.21 0.22 0.37 0.00 0.00 175.52 176.56 2qcx h TYR 79 N 0.65 0.38 0.14 3.16 5.03 -1.42 0.29 116.97 125.20 2qcx h TYR 79 Ca 0.17 0.01 -0.28 0.00 2.58 0.00 0.00 58.73 61.21 2qcx h TYR 79 Cb 0.07 -0.13 0.01 0.00 1.55 0.00 0.00 36.73 38.23 2qcx h TYR 79 CO -0.02 0.24 -1.26 0.93 -1.32 0.00 0.00 178.16 176.73 2qcx h GLU 80 N 0.41 0.31 -0.83 1.82 5.08 -1.03 -2.15 114.58 118.19 2qcx h GLU 80 Ca 0.12 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 2qcx h GLU 80 Cb -0.02 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2qcx h GLU 80 CO -0.03 1.25 0.50 0.00 -1.00 0.00 0.00 179.01 179.73 2qcx h ALA 81 N 0.53 1.06 0.00 3.43 0.00 0.53 0.16 119.26 124.97 2qcx h ALA 81 Ca -0.15 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 2qcx h ALA 81 Cb 1.98 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2qcx h ALA 81 CO 0.21 0.53 -0.45 1.49 0.00 0.00 0.00 179.25 181.03 2qcx h GLU 82 N 1.15 0.00 0.00 0.00 4.22 -0.50 -2.49 114.58 116.96 2qcx h GLU 82 Ca 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.74 2qcx h GLU 82 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2qcx h GLU 82 CO -0.05 0.45 -0.00 1.98 -2.18 0.00 0.00 179.01 179.21 2qcx h MET 83 N 0.00 -0.00 -0.38 1.92 4.05 -0.85 -3.22 114.93 116.44 2qcx h MET 83 Ca -0.00 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.27 2qcx h MET 83 Cb 1.00 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.79 2qcx h MET 83 CO 0.06 0.88 -0.33 0.00 0.23 0.00 0.00 176.91 177.75 2qcx h ALA 84 N 0.06 0.55 -0.52 0.39 0.00 -0.78 -2.34 119.26 116.61 2qcx h ALA 84 Ca -0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 54.91 54.19 2qcx h ALA 84 Cb 0.89 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.39 2qcx h ALA 84 CO 0.00 0.62 0.37 1.28 0.00 0.00 0.00 179.25 181.52 2qcx n LEU 85 N -4.12 5.32 0.00 0.00 4.77 -0.94 -2.75 117.00 119.29 2qcx n LEU 85 Ca -0.02 -2.78 0.00 0.00 -0.03 0.00 0.00 56.01 53.18 2qcx n LEU 85 Cb 0.51 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2qcx n LEU 85 CO 0.47 0.89 0.18 1.57 -1.33 0.00 0.00 177.39 179.17 2qcx n HIS 86 N -0.23 0.00 -0.08 -1.77 -0.00 -1.05 -4.66 115.22 107.44 2qcx n HIS 86 Ca 0.32 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.42 2qcx n HIS 86 Cb 1.00 0.04 -0.03 0.00 -0.12 0.00 0.00 29.99 30.89 2qcx n HIS 86 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2qcx n ARG 87 N 0.00 0.45 -0.85 1.57 0.00 -0.91 -3.87 116.66 113.05 2qcx n ARG 87 Ca 0.00 0.18 -0.17 0.00 -0.00 0.00 0.00 57.85 57.86 2qcx n ARG 87 Cb 0.50 -1.29 0.12 0.00 0.00 0.00 0.00 32.46 31.79 2qcx n ARG 87 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2qcx n GLU 88 N -4.18 1.87 0.00 -0.14 2.13 -1.20 -3.17 120.64 115.95 2qcx n GLU 88 Ca -0.12 -2.07 0.00 0.00 0.66 0.00 0.00 57.16 55.63 2qcx n GLU 88 Cb 0.44 -1.81 0.00 0.00 0.27 0.00 0.00 31.44 30.34 2qcx n GLU 88 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2qcx n PHE 89 N -0.61 0.00 0.13 4.31 3.72 -1.26 -4.56 117.46 119.19 2qcx n PHE 89 Ca 0.41 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.80 2qcx n PHE 89 Cb 1.28 0.05 0.14 0.00 -0.94 0.00 0.00 39.48 40.00 2qcx n PHE 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qcx h ALA 90 N 0.00 0.86 -0.09 4.37 0.00 -1.68 -1.97 119.26 120.75 2qcx h ALA 90 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 2qcx h ALA 90 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2qcx h ALA 90 CO 0.00 0.81 -0.33 0.93 0.00 0.00 0.00 179.25 180.66 2qcx h GLU 91 N 0.00 0.38 -0.12 0.00 4.39 -1.82 -1.65 114.58 115.76 2qcx h GLU 91 Ca -0.01 -0.29 -0.14 0.00 0.34 0.00 0.00 59.36 59.26 2qcx h GLU 91 Cb 1.20 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 2qcx h GLU 91 CO 0.08 0.92 -0.54 -0.07 -1.16 0.00 0.00 179.01 178.24 2qcx h LEU 92 N -0.09 0.40 -0.00 1.33 3.38 -1.80 -2.68 115.31 115.86 2qcx h LEU 92 Ca -0.02 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2qcx h LEU 92 Cb 0.97 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2qcx h LEU 92 CO 0.07 0.86 -0.23 0.18 0.09 0.00 0.00 178.44 179.41 2qcx n LEU 93 N -3.93 0.23 -3.61 1.67 4.77 -0.74 -4.97 117.00 110.41 2qcx n LEU 93 Ca -0.02 0.27 -0.24 0.00 -0.03 0.00 0.00 56.01 55.98 2qcx n LEU 93 Cb 0.58 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 41.33 2qcx n LEU 93 CO 0.45 0.06 -0.06 -0.62 -1.33 0.00 0.00 177.39 175.89 2qcx n GLU 94 N -1.50 -2.99 -2.45 3.23 1.02 -0.69 -4.91 120.64 112.35 2qcx n GLU 94 Ca 0.06 0.60 -0.42 0.00 -0.02 0.00 0.00 57.16 57.38 2qcx n GLU 94 Cb 0.34 -4.91 -0.03 0.00 -0.02 0.00 0.00 31.44 26.82 2qcx n GLU 94 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2qcx s ILE 95 N -3.55 4.20 0.82 -3.67 1.01 -0.76 -5.01 121.20 114.24 2qcx s ILE 95 Ca 0.27 1.54 -0.14 0.00 0.00 0.00 0.00 60.65 62.32 2qcx s ILE 95 Cb -0.07 -3.99 0.20 0.00 0.01 0.00 0.00 42.46 38.60 2qcx s ILE 95 CO 0.82 0.02 0.94 -1.54 0.00 0.00 0.00 174.94 175.18 2qcx n SER 96 N 4.93 -0.70 0.01 3.58 3.41 -1.26 -4.97 113.62 118.63 2qcx n SER 96 Ca 0.11 -1.22 -0.19 0.00 -0.26 0.00 0.00 58.87 57.30 2qcx n SER 96 Cb 0.46 -0.77 -0.14 0.00 -0.26 0.00 0.00 64.21 63.50 2qcx n SER 96 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2qcx h GLU 97 N 0.00 0.22 -0.07 4.33 4.22 -2.00 -3.27 114.58 118.01 2qcx h GLU 97 Ca -0.32 -0.38 -0.22 0.00 0.08 0.00 0.00 59.36 58.52 2qcx h GLU 97 Cb 0.93 0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.33 2qcx h GLU 97 CO 0.22 1.18 -0.81 1.05 -2.18 0.00 0.00 179.01 178.48 2qcx h GLU 98 N -0.50 0.67 0.00 1.92 9.09 -1.99 -2.89 114.58 120.87 2qcx h GLU 98 Ca -0.16 -0.63 0.00 0.00 0.05 0.00 0.00 59.36 58.63 2qcx h GLU 98 Cb 1.53 0.16 0.00 0.00 -1.65 0.00 0.00 28.75 28.79 2qcx h GLU 98 CO 0.09 1.23 0.00 1.05 0.05 0.00 0.00 179.01 181.43 2qcx h GLU 99 N 0.33 0.00 -0.13 1.06 4.11 -1.97 0.71 114.58 118.70 2qcx h GLU 99 Ca -0.08 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.14 2qcx h GLU 99 Cb 1.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.71 2qcx h GLU 99 CO 0.16 0.00 -0.76 0.00 0.07 0.00 0.00 179.01 178.48 2qcx h ARG 100 N 0.00 0.66 -0.20 1.06 3.08 -1.61 -3.17 114.38 114.20 2qcx h ARG 100 Ca 0.00 -0.54 -0.13 0.00 0.07 0.00 0.00 59.98 59.38 2qcx h ARG 100 Cb 0.70 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2qcx h ARG 100 CO 0.00 1.16 -0.36 -0.22 -1.07 0.00 0.00 179.97 179.47 2qcx h LYS 101 N 0.45 0.60 0.00 0.04 3.11 -1.19 -3.17 116.57 116.40 2qcx h LYS 101 Ca -0.05 -0.38 0.00 0.00 -2.81 0.00 0.00 60.65 57.42 2qcx h LYS 101 Cb 1.37 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.65 2qcx h LYS 101 CO 0.15 0.99 0.00 0.00 -2.81 0.00 0.00 179.45 177.78 2qcx n ALA 102 N -2.51 2.53 -1.85 5.00 0.00 0.19 -4.88 120.51 118.99 2qcx n ALA 102 Ca -0.06 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 2qcx n ALA 102 Cb 0.51 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 2qcx n ALA 102 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2qcx s PHE 103 N -2.00 2.96 -0.02 0.00 2.19 -1.20 -5.03 117.98 114.88 2qcx s PHE 103 Ca 0.14 0.66 0.05 0.00 0.33 0.00 0.00 56.93 58.11 2qcx s PHE 103 Cb 0.06 -3.98 -0.01 0.00 -1.31 0.00 0.00 43.02 37.78 2qcx s PHE 103 CO 0.10 -3.52 -0.18 0.15 1.83 0.00 0.00 175.22 173.61 2qcx s LYS 104 N 0.56 1.56 0.46 10.12 -0.14 -1.26 -5.10 119.74 125.94 2qcx s LYS 104 Ca 0.68 -0.63 -0.24 0.00 -1.36 0.00 0.00 55.97 54.42 2qcx s LYS 104 Cb -0.46 -1.45 -0.07 0.00 -1.68 0.00 0.00 37.83 34.17 2qcx s LYS 104 CO 0.37 0.34 1.29 -1.25 -0.76 0.00 0.00 175.35 175.34 2qcx s PRO 105 N -0.27 3.65 0.75 -1.68 0.04 -1.26 -5.00 135.00 131.22 2qcx s PRO 105 Ca 0.03 2.09 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 2qcx s PRO 105 Cb -0.08 -2.51 0.04 0.00 0.04 0.00 0.00 34.50 31.99 2qcx s PRO 105 CO 0.00 -0.74 1.13 -1.54 0.04 0.00 0.00 177.00 175.89 2qcx s SER 106 N -0.96 5.03 0.19 6.66 1.04 -1.26 -4.82 113.70 119.58 2qcx s SER 106 Ca 0.63 0.95 -0.16 0.00 0.48 0.00 0.00 55.95 57.86 2qcx s SER 106 Cb -0.36 -1.62 0.16 0.00 0.10 0.00 0.00 66.02 64.29 2qcx s SER 106 CO 0.45 -1.58 1.65 -0.65 0.98 0.00 0.00 173.24 174.09 2qcx h PRO 107 N -0.81 -0.01 -0.01 4.02 0.11 -1.88 0.21 132.00 133.63 2qcx h PRO 107 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qcx h PRO 107 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 2qcx h PRO 107 CO 0.65 -0.00 0.00 1.15 -0.21 0.00 0.00 178.00 179.59 2qcx h THR 108 N -0.01 1.01 -0.57 -1.15 2.02 -1.95 0.26 112.91 112.53 2qcx h THR 108 Ca 0.24 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.40 2qcx h THR 108 Cb 0.37 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 2qcx h THR 108 CO -0.52 0.01 0.36 0.00 0.37 0.00 0.00 175.52 175.74 2qcx h ALA 109 N 0.99 0.72 -0.14 6.16 0.00 -1.89 -0.50 119.26 124.61 2qcx h ALA 109 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2qcx h ALA 109 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2qcx h ALA 109 CO -0.00 0.18 0.06 -0.92 0.00 0.00 0.00 179.25 178.57 2qcx h TYR 110 N 0.76 0.20 -0.88 0.00 3.20 -0.76 -1.96 116.97 117.53 2qcx h TYR 110 Ca 0.21 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2qcx h TYR 110 Cb -0.06 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 2qcx h TYR 110 CO -0.03 0.25 0.52 0.77 -1.64 0.00 0.00 178.16 178.03 2qcx h SER 111 N 0.09 1.06 0.10 -2.11 0.02 -0.28 -0.37 113.55 112.07 2qcx h SER 111 Ca 0.05 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2qcx h SER 111 Cb 0.12 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.40 2qcx h SER 111 CO -0.01 0.82 -0.05 0.15 -1.14 0.00 0.00 176.83 176.60 2qcx h PHE 112 N 1.21 -0.12 -0.39 3.45 -0.00 -1.05 -1.32 116.94 118.71 2qcx h PHE 112 Ca 0.31 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 58.25 2qcx h PHE 112 Cb -0.04 0.04 -0.02 0.00 -0.00 0.00 0.00 35.95 35.93 2qcx h PHE 112 CO 0.00 0.12 0.11 1.79 -0.00 0.00 0.00 178.31 180.33 2qcx h THR 113 N -0.36 1.17 -0.64 4.41 1.35 -1.25 -1.83 112.91 115.77 2qcx h THR 113 Ca -0.01 -0.59 -0.01 0.00 -0.55 0.00 0.00 66.41 65.24 2qcx h THR 113 Cb 0.30 0.76 -0.03 0.00 -1.73 0.00 0.00 68.15 67.45 2qcx h THR 113 CO 0.02 0.22 0.36 0.28 -0.25 0.00 0.00 175.52 176.15 2qcx h SER 114 N 0.56 0.79 -0.70 5.36 0.02 -0.87 -1.49 113.55 117.22 2qcx h SER 114 Ca 0.13 -0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2qcx h SER 114 Cb 0.19 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 2qcx h SER 114 CO -0.01 0.65 0.44 -0.74 -1.14 0.00 0.00 176.83 176.04 2qcx h HIS 115 N 0.87 0.83 -0.38 3.45 6.17 -0.45 0.24 115.15 125.88 2qcx h HIS 115 Ca 0.23 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.28 2qcx h HIS 115 Cb 0.03 -0.28 -0.01 0.00 2.52 0.00 0.00 27.41 29.67 2qcx h HIS 115 CO -0.01 0.49 0.05 0.52 0.71 0.00 0.00 177.93 179.68 2qcx h MET 116 N 0.88 0.64 -0.20 5.26 2.86 -1.11 -1.87 114.93 121.39 2qcx h MET 116 Ca 0.28 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 2qcx h MET 116 Cb -0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2qcx h MET 116 CO -0.10 0.71 -0.05 1.88 1.06 0.00 0.00 176.91 180.42 2qcx h TYR 117 N 0.48 0.31 -0.69 -0.22 0.05 -1.05 -3.03 116.97 112.81 2qcx h TYR 117 Ca 0.11 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 2qcx h TYR 117 Cb 0.39 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 2qcx h TYR 117 CO 0.03 0.36 0.37 -0.09 -1.05 0.00 0.00 178.16 177.78 2qcx h ARG 118 N 0.29 0.97 -0.51 4.88 2.43 0.28 -2.37 114.38 120.36 2qcx h ARG 118 Ca 0.07 -0.12 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 2qcx h ARG 118 Cb 0.29 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 2qcx h ARG 118 CO 0.01 0.74 0.34 0.66 -1.51 0.00 0.00 179.97 180.21 2qcx h SER 119 N 0.95 0.39 -0.80 -3.80 4.64 -1.33 -1.40 113.55 112.20 2qcx h SER 119 Ca 0.24 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.64 2qcx h SER 119 Cb 0.05 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.01 2qcx h SER 119 CO -0.04 0.25 0.53 0.58 -0.87 0.00 0.00 176.83 177.28 2qcx h VAL 120 N 0.44 0.99 0.00 0.95 2.07 -1.45 -1.93 116.25 117.32 2qcx h VAL 120 Ca 0.22 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2qcx h VAL 120 Cb 0.31 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2qcx h VAL 120 CO -0.06 0.15 0.00 -0.07 0.02 0.00 0.00 177.57 177.61 2qcx h LEU 121 N 0.81 0.00 -1.94 2.57 3.38 -1.27 -2.09 115.31 116.77 2qcx h LEU 121 Ca 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 2qcx h LEU 121 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2qcx h LEU 121 CO -0.13 0.00 -0.03 0.77 0.09 0.00 0.00 178.44 179.14 2qcx h SER 122 N 0.00 0.00 -0.57 -0.43 4.64 -1.44 -3.46 113.55 112.29 2qcx h SER 122 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 2qcx h SER 122 Cb 0.33 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.32 2qcx h SER 122 CO 0.00 0.03 -0.22 0.61 -0.87 0.00 0.00 176.83 176.38 2qcx n GLY 123 N -0.37 1.20 3.14 -0.77 0.00 -0.79 -4.97 105.19 102.63 2qcx n GLY 123 Ca -0.01 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 2qcx n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qcx s ASN 124 N -2.54 4.84 0.27 1.61 3.84 -1.26 -5.00 114.94 116.69 2qcx s ASN 124 Ca 0.00 -1.40 0.00 0.00 0.21 0.00 0.00 52.86 51.67 2qcx s ASN 124 Cb 0.00 -1.69 0.58 0.00 -0.55 0.00 0.00 41.25 39.59 2qcx s ASN 124 CO 0.00 -0.28 1.75 0.15 -2.79 0.00 0.00 177.10 175.93 2qcx h PHE 125 N 7.94 0.78 -0.66 0.43 3.57 -1.92 -1.34 116.94 125.74 2qcx h PHE 125 Ca -0.19 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.39 2qcx h PHE 125 Cb 1.05 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 2qcx h PHE 125 CO 0.61 0.15 0.38 0.00 -2.23 0.00 0.00 178.31 177.22 2qcx h ALA 126 N 1.59 0.88 -0.20 2.41 0.00 -1.94 -0.38 119.26 121.62 2qcx h ALA 126 Ca 0.49 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.27 2qcx h ALA 126 Cb 0.74 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2qcx h ALA 126 CO -0.39 0.08 -0.44 0.93 0.00 0.00 0.00 179.25 179.43 2qcx h GLU 127 N 0.71 0.48 -0.16 0.00 5.08 -1.63 -0.33 114.58 118.73 2qcx h GLU 127 Ca 0.29 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2qcx h GLU 127 Cb 0.14 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2qcx h GLU 127 CO -0.16 0.83 0.01 0.82 -1.00 0.00 0.00 179.01 179.50 2qcx h ILE 128 N 0.39 1.24 -0.69 3.13 2.04 -0.96 -2.65 117.51 120.01 2qcx h ILE 128 Ca 0.03 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 2qcx h ILE 128 Cb 0.93 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 2qcx h ILE 128 CO 0.08 0.24 0.29 0.25 0.00 0.00 0.00 178.15 179.01 2qcx h LEU 129 N 0.04 0.92 -1.07 1.44 5.85 -0.96 -2.10 115.31 119.42 2qcx h LEU 129 Ca 0.05 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.72 2qcx h LEU 129 Cb 0.35 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 2qcx h LEU 129 CO 0.01 0.80 0.62 0.00 -0.34 0.00 0.00 178.44 179.54 2qcx h ALA 130 N 1.33 1.46 -0.03 1.25 0.00 -0.99 0.26 119.26 122.54 2qcx h ALA 130 Ca 0.23 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2qcx h ALA 130 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2qcx h ALA 130 CO -0.02 0.39 -0.47 0.00 0.00 0.00 0.00 179.25 179.14 2qcx h ALA 131 N 1.48 1.18 0.02 0.00 0.00 -1.06 -3.18 119.26 117.71 2qcx h ALA 131 Ca 0.42 -0.43 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 2qcx h ALA 131 Cb 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2qcx h ALA 131 CO -0.17 0.60 -1.26 -0.07 0.00 0.00 0.00 179.25 178.35 2qcx h LEU 132 N 0.05 0.08 -0.28 0.00 3.38 -0.58 -3.41 115.31 114.55 2qcx h LEU 132 Ca -0.00 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.92 2qcx h LEU 132 Cb 0.85 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 2qcx h LEU 132 CO 0.06 1.08 -0.03 0.25 0.09 0.00 0.00 178.44 179.89 2qcx h LEU 133 N 0.01 -0.18 -1.75 1.67 5.85 -0.59 -2.44 115.31 117.88 2qcx h LEU 133 Ca -0.12 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2qcx h LEU 133 Cb 1.88 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 43.04 2qcx h LEU 133 CO 0.13 -0.06 -0.10 -0.65 -0.34 0.00 0.00 178.44 177.42 2qcx h PRO 134 N 0.04 0.03 -0.87 5.25 0.11 -1.79 -0.06 132.00 134.72 2qcx h PRO 134 Ca 0.14 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.27 2qcx h PRO 134 Cb 0.19 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.25 2qcx h PRO 134 CO -0.26 0.14 0.56 0.00 -0.21 0.00 0.00 178.00 178.23 2qcx h TYR 136 N 1.09 -0.42 -0.03 0.00 0.05 -1.29 -3.32 116.97 113.05 2qcx h TYR 136 Ca 0.34 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 59.05 2qcx h TYR 136 Cb -0.00 0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.88 2qcx h TYR 136 CO -0.02 -0.09 -0.21 2.35 -1.05 0.00 0.00 178.16 179.14 2qcx h TRP 137 N -0.80 0.28 -0.74 4.88 7.01 -0.64 -2.60 115.95 123.34 2qcx h TRP 137 Ca -0.05 -0.13 -0.02 0.00 2.11 0.00 0.00 58.89 60.80 2qcx h TRP 137 Cb 0.52 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.50 2qcx h TRP 137 CO 0.02 0.86 0.37 1.25 -2.79 0.00 0.00 178.44 178.15 2qcx h LEU 138 N -0.38 0.95 -0.68 0.65 5.85 -0.39 -1.04 115.31 120.26 2qcx h LEU 138 Ca -0.02 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 2qcx h LEU 138 Cb 0.89 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2qcx h LEU 138 CO 0.04 0.79 -0.17 1.88 -0.34 0.00 0.00 178.44 180.65 2qcx h TYR 139 N 1.05 0.95 0.44 1.25 -1.99 -1.65 0.47 116.97 117.49 2qcx h TYR 139 Ca 0.26 -0.20 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 2qcx h TYR 139 Cb 0.09 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 38.59 2qcx h TYR 139 CO 0.01 0.95 -0.21 -0.92 -0.00 0.00 0.00 178.16 177.99 2qcx h TYR 140 N 0.75 -0.54 -0.62 4.88 3.20 -1.19 -1.11 116.97 122.34 2qcx h TYR 140 Ca 0.11 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.09 2qcx h TYR 140 Cb 0.69 0.18 -0.10 0.00 1.54 0.00 0.00 36.73 39.04 2qcx h TYR 140 CO 0.04 -0.29 0.06 0.93 -1.64 0.00 0.00 178.16 177.26 2qcx h GLU 141 N -0.68 0.17 -0.26 1.82 4.39 -1.02 0.37 114.58 119.37 2qcx h GLU 141 Ca -0.06 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2qcx h GLU 141 Cb 0.50 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2qcx h GLU 141 CO 0.10 0.12 0.11 0.28 -1.16 0.00 0.00 179.01 178.45 2qcx h VAL 142 N 0.18 1.17 -0.73 3.13 2.07 -0.90 -2.71 116.25 118.45 2qcx h VAL 142 Ca 0.33 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 2qcx h VAL 142 Cb 0.52 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2qcx h VAL 142 CO -0.48 0.17 0.23 1.23 0.02 0.00 0.00 177.57 178.75 2qcx h GLY 143 N 0.27 1.21 0.96 2.17 0.00 -0.27 -2.72 103.07 104.69 2qcx h GLY 143 Ca 0.09 -0.71 0.01 0.00 0.00 0.00 0.00 47.33 46.72 2qcx h GLY 143 CO -0.01 0.67 0.31 -2.09 0.00 0.00 0.00 176.54 175.42 2qcx h GLU 144 N 1.08 0.62 0.00 4.80 4.81 -0.26 -2.83 114.58 122.81 2qcx h GLU 144 Ca 0.24 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2qcx h GLU 144 Cb 0.30 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2qcx h GLU 144 CO -0.01 0.41 -0.24 0.87 -0.73 0.00 0.00 179.01 179.32 2qcx h LYS 145 N 0.64 0.00 -0.09 1.92 1.57 -1.34 -2.94 116.57 116.33 2qcx h LYS 145 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2qcx h LYS 145 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2qcx h LYS 145 CO -0.06 0.24 0.00 1.28 -0.57 0.00 0.00 179.45 180.34 2qcx n LEU 146 N -3.41 1.84 0.29 2.94 4.77 -1.04 -4.19 117.00 118.20 2qcx n LEU 146 Ca 0.00 -0.68 0.19 0.00 -0.03 0.00 0.00 56.01 55.49 2qcx n LEU 146 Cb 0.43 -0.05 0.87 0.00 -2.33 0.00 0.00 43.42 42.35 2qcx n LEU 146 CO 0.34 0.34 1.05 -0.07 -1.33 0.00 0.00 177.39 177.72 2qcx h LEU 147 N 2.70 0.00 0.00 2.23 3.38 -1.34 -2.87 115.31 119.41 2qcx h LEU 147 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qcx h LEU 147 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2qcx h LEU 147 CO 0.00 0.00 -1.10 1.41 0.09 0.00 0.00 178.44 178.84 2qcx n HIS 148 N -3.00 0.29 -1.79 1.13 8.25 -1.26 -4.95 115.22 113.88 2qcx n HIS 148 Ca -0.01 0.08 -0.32 0.00 -0.26 0.00 0.00 57.72 57.21 2qcx n HIS 148 Cb 0.20 -0.47 0.04 0.00 1.12 0.00 0.00 29.99 30.89 2qcx n HIS 148 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qcx s ASP 150 N -2.86 4.07 0.29 0.00 3.68 -1.26 -4.96 116.67 115.64 2qcx s ASP 150 Ca 0.64 -3.45 0.07 0.00 2.13 0.00 0.00 52.55 51.95 2qcx s ASP 150 Cb -0.18 -1.37 0.45 0.00 -1.45 0.00 0.00 42.92 40.37 2qcx s ASP 150 CO 0.43 -0.14 1.69 1.55 0.13 0.00 0.00 175.17 178.82 2qcx h PRO 151 N 5.78 0.19 0.00 4.34 0.13 -1.78 -3.44 132.00 137.21 2qcx h PRO 151 Ca 0.11 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2qcx h PRO 151 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2qcx h PRO 151 CO 0.63 0.61 0.00 0.41 -0.23 0.00 0.00 178.00 179.42 2qcx n GLY 152 N -0.12 2.50 3.66 1.56 0.00 -1.26 -4.11 105.19 107.42 2qcx n GLY 152 Ca -0.02 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 2qcx n GLY 152 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qcx s HIS 153 N -0.43 1.79 0.45 1.61 3.76 -1.26 -4.89 115.29 116.33 2qcx s HIS 153 Ca 0.00 0.03 0.39 0.00 -0.15 0.00 0.00 55.06 55.33 2qcx s HIS 153 Cb 0.00 -4.00 2.12 0.00 1.11 0.00 0.00 32.58 31.81 2qcx s HIS 153 CO 0.00 -4.29 2.21 -1.35 -0.85 0.00 0.00 174.74 170.45 2qcx h PRO 154 N 9.84 0.00 0.06 8.40 0.11 -1.99 0.03 132.00 148.46 2qcx h PRO 154 Ca -0.42 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.45 2qcx h PRO 154 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2qcx h PRO 154 CO 0.95 0.00 -1.12 0.97 -0.21 0.00 0.00 178.00 178.60 2qcx h ILE 155 N 0.00 1.61 0.05 4.15 6.09 -1.94 -3.12 117.51 124.34 2qcx h ILE 155 Ca 0.00 -3.23 -0.29 0.00 -1.37 0.00 0.00 64.86 59.97 2qcx h ILE 155 Cb 0.03 2.89 -0.03 0.00 0.47 0.00 0.00 36.82 40.18 2qcx h ILE 155 CO 0.00 0.93 -1.59 1.88 -3.07 0.00 0.00 178.15 176.30 2qcx h TYR 156 N 0.04 0.20 -0.73 2.19 0.05 -1.63 -3.23 116.97 113.85 2qcx h TYR 156 Ca -0.07 -0.14 -0.05 0.00 0.05 0.00 0.00 58.73 58.52 2qcx h TYR 156 Cb 1.86 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 39.56 2qcx h TYR 156 CO 0.03 1.22 0.26 1.96 -1.05 0.00 0.00 178.16 180.58 2qcx h GLN 157 N 0.03 1.10 -0.12 4.88 4.20 -1.16 -1.84 115.11 122.19 2qcx h GLN 157 Ca -0.25 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.14 2qcx h GLN 157 Cb 1.98 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 29.58 2qcx h GLN 157 CO 0.11 0.91 -0.42 -0.22 -0.67 0.00 0.00 178.83 178.54 2qcx h LYS 158 N 1.06 0.28 0.06 1.46 1.63 -1.67 -1.19 116.57 118.20 2qcx h LYS 158 Ca 0.24 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 2qcx h LYS 158 Cb 0.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2qcx h LYS 158 CO -0.01 0.66 -0.03 2.35 -3.45 0.00 0.00 179.45 178.97 2qcx h TRP 159 N 0.24 -0.07 -0.03 1.91 7.01 -1.50 -2.67 115.95 120.83 2qcx h TRP 159 Ca 0.02 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.04 2qcx h TRP 159 Cb 0.85 0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.90 2qcx h TRP 159 CO 0.02 0.28 -0.12 0.82 -2.79 0.00 0.00 178.44 176.65 2qcx h ILE 160 N -0.43 0.69 0.00 2.65 2.04 -1.32 -2.94 117.51 118.20 2qcx h ILE 160 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2qcx h ILE 160 Cb 0.38 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2qcx h ILE 160 CO 0.01 0.00 -0.02 1.23 0.00 0.00 0.00 178.15 179.37 2qcx h GLY 161 N -0.19 0.00 0.47 5.37 0.00 -1.25 0.14 103.07 107.61 2qcx h GLY 161 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.23 2qcx h GLY 161 CO -0.14 0.00 -0.68 -0.84 0.00 0.00 0.00 176.54 174.88 2qcx h THR 162 N 0.00 1.52 0.00 4.70 2.02 -1.30 -2.57 112.91 117.29 2qcx h THR 162 Ca -0.00 -2.46 -0.12 0.00 0.77 0.00 0.00 66.41 64.60 2qcx h THR 162 Cb 0.06 3.17 -0.02 0.00 -1.74 0.00 0.00 68.15 69.62 2qcx h THR 162 CO 0.00 0.67 -0.95 1.88 0.37 0.00 0.00 175.52 177.50 2qcx h TYR 163 N -0.55 0.00 -0.01 3.16 0.05 -1.41 -3.24 116.97 114.97 2qcx h TYR 163 Ca -0.13 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.65 2qcx h TYR 163 Cb 1.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.22 2qcx h TYR 163 CO 0.21 0.46 -0.10 0.41 -1.05 0.00 0.00 178.16 178.09 2qcx n GLY 164 N 1.29 -0.54 3.80 3.88 0.00 0.49 -4.18 105.19 109.93 2qcx n GLY 164 Ca -0.03 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 2qcx n GLY 164 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qcx s GLY 165 N -2.26 1.60 0.29 -0.02 0.00 -0.97 -4.68 107.32 101.28 2qcx s GLY 165 Ca 0.33 -0.40 0.15 0.00 0.00 0.00 0.00 44.72 44.80 2qcx s GLY 165 CO 0.43 0.10 1.54 -1.80 0.00 0.00 0.00 173.10 173.37 2qcx h ASP 166 N -1.30 0.00 -0.45 1.64 -0.00 -1.89 -2.38 116.42 112.04 2qcx h ASP 166 Ca -0.49 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 56.46 2qcx h ASP 166 Cb 1.30 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.62 2qcx h ASP 166 CO 0.61 0.55 -0.05 -0.25 -0.00 0.00 0.00 179.24 180.10 2qcx h TRP 167 N 0.00 0.91 -0.26 0.28 7.01 -1.94 -2.61 115.95 119.34 2qcx h TRP 167 Ca -0.01 -0.17 -0.14 0.00 2.11 0.00 0.00 58.89 60.68 2qcx h TRP 167 Cb 1.24 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 28.06 2qcx h TRP 167 CO 0.00 0.89 -0.42 0.35 -2.79 0.00 0.00 178.44 176.48 2qcx h PHE 168 N 0.66 0.76 -0.62 2.65 3.57 -1.75 -2.74 116.94 119.47 2qcx h PHE 168 Ca 0.12 -0.23 0.04 0.00 3.53 0.00 0.00 57.97 61.43 2qcx h PHE 168 Cb 0.56 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 2qcx h PHE 168 CO 0.04 0.94 0.36 -0.09 -2.23 0.00 0.00 178.31 177.34 2qcx h ARG 169 N 0.52 0.68 -0.19 1.11 2.43 -1.39 -2.11 114.38 115.43 2qcx h ARG 169 Ca 0.04 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2qcx h ARG 169 Cb 0.94 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 2qcx h ARG 169 CO 0.08 0.45 0.09 1.96 -1.51 0.00 0.00 179.97 181.04 2qcx h GLN 170 N 0.70 0.27 -0.90 0.20 4.20 -1.38 -0.92 115.11 117.29 2qcx h GLN 170 Ca 0.26 -0.04 0.15 0.00 0.06 0.00 0.00 58.65 59.08 2qcx h GLN 170 Cb 0.08 -0.05 -0.10 0.00 0.30 0.00 0.00 27.48 27.72 2qcx h GLN 170 CO -0.13 0.31 0.49 1.96 -0.67 0.00 0.00 178.83 180.79 2qcx h GLN 171 N 0.17 0.66 0.10 1.46 1.08 -1.30 -2.22 115.11 115.06 2qcx h GLN 171 Ca 0.06 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2qcx h GLN 171 Cb 0.13 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 2qcx h GLN 171 CO -0.01 0.44 -0.05 0.28 -0.95 0.00 0.00 178.83 178.54 2qcx h VAL 172 N 0.68 1.12 -0.38 -0.54 2.07 -1.14 -3.21 116.25 114.86 2qcx h VAL 172 Ca 0.49 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 67.09 2qcx h VAL 172 Cb 0.70 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 2qcx h VAL 172 CO -0.36 0.23 0.09 -0.08 0.02 0.00 0.00 177.57 177.47 2qcx h GLU 173 N -0.60 0.21 -0.73 1.57 4.81 -0.91 0.10 114.58 119.03 2qcx h GLU 173 Ca -0.01 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.34 2qcx h GLU 173 Cb 0.48 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.72 2qcx h GLU 173 CO 0.02 0.14 0.27 1.49 -0.73 0.00 0.00 179.01 180.20 2qcx h GLU 174 N 0.22 0.40 -0.15 1.92 4.81 -1.51 0.83 114.58 121.09 2qcx h GLU 174 Ca 0.18 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 59.16 2qcx h GLU 174 Cb 0.20 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.50 2qcx h GLU 174 CO -0.23 0.26 -0.79 1.96 -0.73 0.00 0.00 179.01 179.49 2qcx h GLN 175 N 0.41 0.80 -0.20 1.92 1.08 -1.31 -1.48 115.11 116.33 2qcx h GLN 175 Ca 0.40 -0.66 0.05 0.00 -1.45 0.00 0.00 58.65 56.99 2qcx h GLN 175 Cb 0.60 0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 28.11 2qcx h GLN 175 CO -0.41 1.26 -0.18 0.82 -0.95 0.00 0.00 178.83 179.37 2qcx h ILE 176 N 0.54 0.51 -0.12 2.54 2.04 -0.38 -0.57 117.51 122.07 2qcx h ILE 176 Ca -0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.83 2qcx h ILE 176 Cb 1.42 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 2qcx h ILE 176 CO 0.16 0.00 -0.02 0.78 0.00 0.00 0.00 178.15 179.07 2qcx h ASN 177 N -0.20 -0.10 -0.56 1.72 2.35 -0.82 -2.03 115.58 115.95 2qcx h ASN 177 Ca 0.12 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2qcx h ASN 177 Cb 0.38 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 2qcx h ASN 177 CO -0.32 -0.03 0.32 -0.09 -1.65 0.00 0.00 177.43 175.66 2qcx h ARG 178 N 0.01 0.77 -0.38 0.81 2.43 -1.13 -1.16 114.38 115.74 2qcx h ARG 178 Ca 0.06 -0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.23 2qcx h ARG 178 Cb 0.08 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.40 2qcx h ARG 178 CO -0.12 0.57 -0.16 0.35 -1.51 0.00 0.00 179.97 179.10 2qcx h PHE 179 N 0.75 -0.40 -0.57 2.20 3.57 -0.98 -0.77 116.94 120.76 2qcx h PHE 179 Ca 0.20 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 2qcx h PHE 179 Cb 0.01 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2qcx h PHE 179 CO -0.02 -0.24 0.25 -0.44 -2.23 0.00 0.00 178.31 175.63 2qcx h ASP 180 N -0.09 0.76 -0.48 0.41 3.32 -0.95 0.11 116.42 119.49 2qcx h ASP 180 Ca 0.19 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.11 2qcx h ASP 180 Cb 0.38 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2qcx h ASP 180 CO -0.44 0.71 0.28 -0.08 -1.72 0.00 0.00 179.24 177.99 2qcx h GLU 181 N 0.77 0.55 -0.49 3.56 4.81 -0.89 -1.65 114.58 121.24 2qcx h GLU 181 Ca 0.19 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2qcx h GLU 181 Cb 0.16 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2qcx h GLU 181 CO -0.02 0.37 0.21 -0.07 -0.73 0.00 0.00 179.01 178.77 2qcx h LEU 182 N 0.57 0.67 0.09 1.64 3.38 -0.84 -2.98 115.31 117.83 2qcx h LEU 182 Ca 0.19 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2qcx h LEU 182 Cb 0.02 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2qcx h LEU 182 CO -0.09 0.64 -0.26 0.00 0.09 0.00 0.00 178.44 178.82 2qcx h ALA 183 N 1.06 -0.42 -0.74 1.53 0.00 -0.44 0.95 119.26 121.19 2qcx h ALA 183 Ca 0.17 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.25 2qcx h ALA 183 Cb 0.17 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2qcx h ALA 183 CO -0.02 -0.79 0.53 0.93 0.00 0.00 0.00 179.25 179.90 2qcx h GLU 184 N -0.45 0.06 0.00 0.00 5.08 -1.31 -1.59 114.58 116.37 2qcx h GLU 184 Ca 0.04 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2qcx h GLU 184 Cb 0.49 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2qcx h GLU 184 CO -0.17 0.04 -1.17 0.09 -1.00 0.00 0.00 179.01 176.80 2qcx n ASN 185 N -4.35 0.57 -4.87 1.42 3.02 -0.75 -4.98 115.26 105.33 2qcx n ASN 185 Ca 0.15 -0.08 -0.30 0.00 -0.03 0.00 0.00 54.58 54.31 2qcx n ASN 185 Cb 0.77 0.91 -0.03 0.00 -0.61 0.00 0.00 39.78 40.82 2qcx n ASN 185 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2qcx s SER 186 N -4.29 6.52 1.02 6.41 0.01 0.25 -5.07 113.70 118.54 2qcx s SER 186 Ca 0.01 1.21 -0.12 0.00 1.31 0.00 0.00 55.95 58.35 2qcx s SER 186 Cb 0.13 -2.36 0.20 0.00 0.21 0.00 0.00 66.02 64.21 2qcx s SER 186 CO 0.82 -0.45 1.08 0.42 0.41 0.00 0.00 173.24 175.52 2qcx s THR 187 N -2.45 2.13 0.17 1.44 -4.23 -1.26 -4.79 115.64 106.65 2qcx s THR 187 Ca 0.52 0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 60.93 2qcx s THR 187 Cb -0.10 -2.44 0.05 0.00 1.34 0.00 0.00 72.50 71.35 2qcx s THR 187 CO 0.32 -0.06 1.83 -0.33 -0.54 0.00 0.00 174.62 175.85 2qcx h GLU 188 N -2.00 0.66 -0.88 3.99 4.39 -1.97 -1.05 114.58 117.72 2qcx h GLU 188 Ca -0.55 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.09 2qcx h GLU 188 Cb 1.32 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.78 2qcx h GLU 188 CO 0.56 0.44 0.47 1.49 -1.16 0.00 0.00 179.01 180.81 2qcx h GLU 189 N 0.68 1.23 -0.31 2.33 4.81 -1.99 -0.62 114.58 120.71 2qcx h GLU 189 Ca 0.18 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 59.11 2qcx h GLU 189 Cb -0.08 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.06 2qcx h GLU 189 CO -0.04 0.90 -0.41 0.28 -0.73 0.00 0.00 179.01 179.02 2qcx h VAL 190 N 1.23 1.29 -0.88 0.32 2.07 -1.87 -2.55 116.25 115.85 2qcx h VAL 190 Ca 0.31 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 2qcx h VAL 190 Cb 0.04 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 2qcx h VAL 190 CO -0.05 0.52 0.46 0.03 0.02 0.00 0.00 177.57 178.55 2qcx h ARG 191 N 0.61 1.24 -0.32 1.57 3.08 -0.87 0.35 114.38 120.03 2qcx h ARG 191 Ca 0.04 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 2qcx h ARG 191 Cb 1.00 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 2qcx h ARG 191 CO 0.10 0.92 -0.04 0.00 -1.07 0.00 0.00 179.97 179.88 2qcx h ALA 192 N 1.26 1.32 -0.13 0.04 0.00 -1.08 -0.81 119.26 119.86 2qcx h ALA 192 Ca 0.31 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 2qcx h ALA 192 Cb 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2qcx h ALA 192 CO -0.05 0.46 -0.72 -0.22 0.00 0.00 0.00 179.25 178.72 2qcx h LYS 193 N 0.49 0.61 -0.12 0.00 3.11 -0.96 -1.43 116.57 118.28 2qcx h LYS 193 Ca 0.10 -0.48 -0.00 0.00 -2.81 0.00 0.00 60.65 57.46 2qcx h LYS 193 Cb 0.39 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.71 2qcx h LYS 193 CO 0.02 1.10 0.07 0.52 -2.81 0.00 0.00 179.45 178.35 2qcx h MET 194 N 0.42 0.16 -0.42 1.90 2.86 -0.76 -0.29 114.93 118.81 2qcx h MET 194 Ca -0.03 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2qcx h MET 194 Cb 1.32 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.93 2qcx h MET 194 CO 0.14 0.14 0.24 -0.22 1.06 0.00 0.00 176.91 178.26 2qcx h LYS 195 N 0.14 0.58 0.26 1.72 3.64 -1.13 -0.66 116.57 121.13 2qcx h LYS 195 Ca 0.04 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2qcx h LYS 195 Cb 0.01 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 2qcx h LYS 195 CO -0.01 0.46 -0.33 1.49 -2.27 0.00 0.00 179.45 178.78 2qcx h GLU 196 N 0.55 -0.63 -0.74 1.90 4.81 -1.15 -0.43 114.58 118.90 2qcx h GLU 196 Ca 0.15 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.53 2qcx h GLU 196 Cb 0.04 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.48 2qcx h GLU 196 CO -0.03 -0.42 0.36 -0.91 -0.73 0.00 0.00 179.01 177.28 2qcx h ASN 197 N -0.65 0.44 -0.10 1.04 -0.26 -0.88 -0.14 115.58 115.04 2qcx h ASN 197 Ca -0.00 0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 55.80 2qcx h ASN 197 Cb 0.62 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.87 2qcx h ASN 197 CO -0.11 0.24 0.05 0.15 -1.06 0.00 0.00 177.43 176.70 2qcx h PHE 198 N 0.58 0.14 -0.52 1.19 3.04 -0.92 -0.87 116.94 119.59 2qcx h PHE 198 Ca 0.37 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.27 2qcx h PHE 198 Cb 0.44 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.89 2qcx h PHE 198 CO -0.11 0.21 0.13 0.28 -2.02 0.00 0.00 178.31 176.80 2qcx h VAL 199 N 0.03 1.24 -0.31 1.41 2.07 -0.68 -0.79 116.25 119.22 2qcx h VAL 199 Ca 0.03 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 2qcx h VAL 199 Cb 0.13 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2qcx h VAL 199 CO -0.00 0.31 0.09 0.40 0.02 0.00 0.00 177.57 178.39 2qcx h ILE 200 N 0.72 1.21 -0.90 4.57 2.04 -1.00 -0.37 117.51 123.77 2qcx h ILE 200 Ca 0.16 -0.68 0.08 0.00 1.00 0.00 0.00 64.86 65.42 2qcx h ILE 200 Cb 0.33 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.40 2qcx h ILE 200 CO 0.00 0.23 0.56 0.28 0.00 0.00 0.00 178.15 179.22 2qcx h SER 201 N 0.35 0.86 -0.79 1.72 0.02 -1.05 -0.63 113.55 114.03 2qcx h SER 201 Ca 0.10 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 2qcx h SER 201 Cb 0.26 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 2qcx h SER 201 CO -0.00 0.53 0.29 0.28 -1.14 0.00 0.00 176.83 176.78 2qcx h SER 202 N 0.98 1.11 -0.23 3.07 0.02 -0.80 -1.07 113.55 116.63 2qcx h SER 202 Ca 0.41 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2qcx h SER 202 Cb 0.25 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2qcx h SER 202 CO -0.20 0.99 0.15 0.22 -1.14 0.00 0.00 176.83 176.85 2qcx h TYR 203 N 1.15 0.29 -0.26 3.45 3.20 -0.31 -2.36 116.97 122.13 2qcx h TYR 203 Ca 0.26 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 2qcx h TYR 203 Cb 0.25 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2qcx h TYR 203 CO 0.02 0.19 -0.19 1.88 -1.64 0.00 0.00 178.16 178.42 2qcx h TYR 204 N 0.30 0.50 -0.74 -3.82 0.05 -0.92 -1.50 116.97 110.85 2qcx h TYR 204 Ca 0.08 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 2qcx h TYR 204 Cb -0.02 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 2qcx h TYR 204 CO -0.06 0.63 0.36 0.93 -1.05 0.00 0.00 178.16 178.97 2qcx h GLU 205 N 0.42 1.06 -0.59 4.88 4.39 -1.07 0.47 114.58 124.14 2qcx h GLU 205 Ca 0.07 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 2qcx h GLU 205 Cb 0.57 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2qcx h GLU 205 CO 0.04 0.82 0.20 -0.92 -1.16 0.00 0.00 179.01 178.00 2qcx h TYR 206 N 1.03 0.94 -0.14 4.33 3.20 -1.09 -2.62 116.97 122.62 2qcx h TYR 206 Ca 0.25 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 2qcx h TYR 206 Cb 0.11 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 2qcx h TYR 206 CO 0.01 0.77 -0.15 1.96 -1.64 0.00 0.00 178.16 179.11 2qcx h GLN 207 N 0.84 0.22 -0.81 1.82 1.08 -0.97 -2.92 115.11 114.36 2qcx h GLN 207 Ca 0.19 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2qcx h GLN 207 Cb 0.26 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 2qcx h GLN 207 CO -0.01 0.38 0.50 0.35 -0.95 0.00 0.00 178.83 179.09 2qcx h PHE 208 N 0.21 1.07 -0.47 2.96 3.04 -0.53 0.10 116.94 123.32 2qcx h PHE 208 Ca 0.04 0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.01 2qcx h PHE 208 Cb 0.40 -0.35 -0.03 0.00 2.56 0.00 0.00 35.95 38.52 2qcx h PHE 208 CO 0.01 0.71 0.29 -1.49 -2.02 0.00 0.00 178.31 175.80 2qcx h TRP 209 N 1.12 0.54 -0.10 0.41 -0.00 -1.40 -2.34 115.95 114.17 2qcx h TRP 209 Ca 0.29 0.02 -0.13 0.00 -0.00 0.00 0.00 58.89 59.07 2qcx h TRP 209 Cb -0.05 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 28.92 2qcx h TRP 209 CO -0.01 0.31 -0.50 0.78 -0.00 0.00 0.00 178.44 179.03 2qcx h GLY 210 N 0.58 0.30 0.95 1.49 0.00 -1.41 -1.75 103.07 103.23 2qcx h GLY 210 Ca 0.19 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.21 2qcx h GLY 210 CO -0.08 0.29 0.29 1.98 0.00 0.00 0.00 176.54 179.02 2qcx h MET 211 N 0.22 0.57 -0.07 4.80 1.85 -0.56 -0.56 114.93 121.18 2qcx h MET 211 Ca 0.01 -0.03 -0.19 0.00 -0.61 0.00 0.00 59.70 58.88 2qcx h MET 211 Cb 0.95 -0.13 -0.00 0.00 0.43 0.00 0.00 31.60 32.85 2qcx h MET 211 CO 0.08 0.37 -0.74 0.00 -0.40 0.00 0.00 176.91 176.23 2qcx h ALA 212 N 1.19 0.59 -0.33 0.39 0.00 -1.29 0.95 119.26 120.76 2qcx h ALA 212 Ca 0.18 -0.61 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 2qcx h ALA 212 Cb -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2qcx h ALA 212 CO -0.06 0.77 -0.33 -0.92 0.00 0.00 0.00 179.25 178.71 2qcx h TYR 213 N 0.27 0.86 0.00 0.00 3.20 -1.18 -2.99 116.97 117.13 2qcx h TYR 213 Ca -0.03 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.61 2qcx h TYR 213 Cb 1.31 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.39 2qcx h TYR 213 CO 0.04 0.97 -0.35 0.54 -1.64 0.00 0.00 178.16 177.72 2qcx n ARG 214 N -4.07 0.21 -3.69 1.82 1.74 -0.23 -4.95 116.66 107.50 2qcx n ARG 214 Ca -0.01 0.10 -0.22 0.00 -0.77 0.00 0.00 57.85 56.95 2qcx n ARG 214 Cb 0.49 -1.68 0.03 0.00 -1.02 0.00 0.00 32.46 30.29 2qcx n ARG 214 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2qcx n LYS 215 N -2.01 -4.15 -1.60 5.56 5.02 -0.12 -4.84 118.16 116.02 2qcx n LYS 215 Ca 0.05 0.60 -0.49 0.00 -2.02 0.00 0.00 58.31 56.45 2qcx n LYS 215 Cb 0.41 -5.04 -0.04 0.00 -0.02 0.00 0.00 35.03 30.34 2qcx n LYS 215 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2qcx n GLU 216 N -4.20 1.33 -3.96 1.97 2.13 0.14 -5.02 120.64 113.03 2qcx n GLU 216 Ca -0.26 0.47 -0.25 0.00 0.66 0.00 0.00 57.16 57.78 2qcx n GLU 216 Cb 0.66 -2.03 -0.03 0.00 0.27 0.00 0.00 31.44 30.31 2qcx n GLU 216 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qcx n GLY 217 N 2.19 3.33 0.07 8.31 0.00 -1.26 -4.80 105.19 113.04 2qcx n GLY 217 Ca 0.15 -2.32 -0.07 0.00 0.00 0.00 0.00 46.02 43.79 2qcx n GLY 217 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2qcx h TRP 218 N 1.00 0.00 -0.00 1.61 4.06 -1.95 -3.30 115.95 117.37 2qcx h TRP 218 Ca -0.33 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.62 2qcx h TRP 218 Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 2qcx h TRP 218 CO 0.00 0.95 -0.05 0.43 -3.56 0.00 0.00 178.44 176.21 2qcx n SER 219 N -3.25 0.27 -0.35 -3.49 7.64 -1.26 -4.27 113.62 108.91 2qcx n SER 219 Ca -0.04 -0.54 0.04 0.00 1.01 0.00 0.00 58.87 59.33 2qcx n SER 219 Cb 0.95 -0.13 0.19 0.00 -1.01 0.00 0.00 64.21 64.21 2qcx n SER 219 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2qcx h ASP 220 N 0.35 0.94 1.05 6.43 3.45 -1.99 0.65 116.42 127.30 2qcx h ASP 220 Ca 0.00 0.03 -0.19 0.00 0.43 0.00 0.00 57.03 57.29 2qcx h ASP 220 Cb 0.27 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.85 2qcx h ASP 220 CO 0.00 0.57 -0.93 0.28 -1.57 0.00 0.00 179.24 177.59 2qcx h SER 221 N 1.06 0.00 0.65 6.45 0.02 -1.86 -2.46 113.55 117.41 2qcx h SER 221 Ca 0.44 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 61.12 2qcx h SER 221 Cb 0.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2qcx h SER 221 CO -0.21 0.93 -1.29 0.00 -1.14 0.00 0.00 176.83 175.12 2qcx h ALA 222 N 1.07 0.21 0.00 3.77 0.00 -1.75 -2.63 119.26 119.94 2qcx h ALA 222 Ca -0.01 -0.97 -0.12 0.00 0.00 0.00 0.00 54.91 53.81 2qcx h ALA 222 Cb 1.70 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 2qcx h ALA 222 CO 0.12 1.09 -0.58 -0.84 0.00 0.00 0.00 179.25 179.04 2qcx h ILE 223 N 0.06 1.39 -0.02 0.00 3.07 -0.94 -0.49 117.51 120.58 2qcx h ILE 223 Ca -0.14 -2.00 -0.01 0.00 1.55 0.00 0.00 64.86 64.26 2qcx h ILE 223 Cb 1.95 2.08 -0.00 0.00 -0.27 0.00 0.00 36.82 40.58 2qcx h ILE 223 CO 0.18 0.57 -0.03 0.50 -1.05 0.00 0.00 178.15 178.31 2qcx h LYS 224 N 0.00 0.07 0.32 0.16 3.64 -1.53 -3.36 116.57 115.88 2qcx h LYS 224 Ca -0.01 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2qcx h LYS 224 Cb 1.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2qcx h LYS 224 CO 0.08 0.57 -0.16 1.49 -2.27 0.00 0.00 179.45 179.16 2qcx h GLU 225 N -0.43 -0.42 -0.01 1.90 4.57 -1.41 -3.51 114.58 115.26 2qcx h GLU 225 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2qcx h GLU 225 Cb 0.56 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 2qcx h GLU 225 CO 0.01 -0.16 0.00 0.28 -1.18 0.00 0.00 179.01 177.96