#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qx9 n GLY 2 N 0.00 3.00 3.75 0.00 0.00 -1.26 -4.98 105.19 105.69 2qx9 n GLY 2 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2qx9 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qx9 s LYS 3 N -0.01 2.84 -0.13 1.61 -0.14 -1.26 -4.78 119.74 117.87 2qx9 s LYS 3 Ca 0.00 1.76 -0.01 0.00 -1.36 0.00 0.00 55.97 56.36 2qx9 s LYS 3 Cb 0.00 -1.92 -0.02 0.00 -1.68 0.00 0.00 37.83 34.21 2qx9 s LYS 3 CO 0.00 -1.29 -0.11 0.15 -0.76 0.00 0.00 175.35 173.34 2qx9 s LYS 4 N -3.50 3.42 -0.12 1.68 1.02 -1.26 -1.61 119.74 119.36 2qx9 s LYS 4 Ca 0.76 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 56.13 2qx9 s LYS 4 Cb -0.29 -2.69 -0.00 0.00 -0.52 0.00 0.00 37.83 34.33 2qx9 s LYS 4 CO 0.36 0.24 -0.21 0.08 -0.92 0.00 0.00 175.35 174.90 2qx9 s VAL 5 N 0.29 2.25 -0.18 3.17 1.01 0.92 -0.64 120.40 127.22 2qx9 s VAL 5 Ca -0.08 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 2qx9 s VAL 5 Cb -0.15 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 2qx9 s VAL 5 CO 0.05 0.55 -0.04 -0.22 0.00 0.00 0.00 175.10 175.44 2qx9 s LEU 6 N 0.47 3.09 -0.21 3.92 2.96 0.21 -0.51 118.68 128.62 2qx9 s LEU 6 Ca -0.14 -0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2qx9 s LEU 6 Cb -0.17 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.78 2qx9 s LEU 6 CO 0.06 0.10 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.44 2qx9 s ILE 7 N 0.78 2.69 -0.38 6.68 1.01 -0.42 0.89 121.20 132.45 2qx9 s ILE 7 Ca -0.02 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 2qx9 s ILE 7 Cb -0.15 -2.24 0.01 0.00 0.01 0.00 0.00 42.46 40.09 2qx9 s ILE 7 CO 0.02 0.39 0.44 -0.69 0.00 0.00 0.00 174.94 175.10 2qx9 s VAL 8 N 1.35 5.09 -0.15 2.92 1.01 0.87 -0.78 120.40 130.71 2qx9 s VAL 8 Ca 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 2qx9 s VAL 8 Cb -0.15 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2qx9 s VAL 8 CO -0.07 -0.28 -0.02 -0.47 0.00 0.00 0.00 175.10 174.26 2qx9 s TYR 9 N 2.19 3.08 -0.57 5.22 5.04 -0.08 -1.33 117.35 130.89 2qx9 s TYR 9 Ca 0.14 -0.15 0.06 0.00 -2.44 0.00 0.00 57.07 54.68 2qx9 s TYR 9 Cb -0.16 -1.95 0.23 0.00 0.35 0.00 0.00 41.96 40.43 2qx9 s TYR 9 CO 0.13 0.08 0.61 0.00 -1.34 0.00 0.00 175.55 175.03 2qx9 n ALA 10 N 3.30 3.43 -3.15 3.97 0.00 -0.57 -1.85 120.51 125.63 2qx9 n ALA 10 Ca -0.17 -4.23 -0.13 0.00 0.00 0.00 0.00 53.44 48.91 2qx9 n ALA 10 Cb 0.53 -0.89 -0.13 0.00 0.00 0.00 0.00 19.45 18.96 2qx9 n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qx9 s HIS 11 N -1.74 -0.20 0.08 0.00 5.04 -1.26 -4.35 115.29 112.86 2qx9 s HIS 11 Ca 0.35 0.48 0.14 0.00 -1.54 0.00 0.00 55.06 54.50 2qx9 s HIS 11 Cb 0.11 0.05 0.27 0.00 0.04 0.00 0.00 32.58 33.05 2qx9 s HIS 11 CO -0.08 -0.11 1.54 1.96 -2.34 0.00 0.00 174.74 175.71 2qx9 h GLN 12 N 6.08 0.00 -4.92 2.88 7.50 -1.99 -3.44 115.11 121.22 2qx9 h GLN 12 Ca -0.28 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.21 2qx9 h GLN 12 Cb 1.19 0.00 -0.29 0.00 0.05 0.00 0.00 27.48 28.43 2qx9 h GLN 12 CO 0.40 0.58 -0.70 -2.00 -1.50 0.00 0.00 178.83 175.61 2qx9 s GLU 13 N -3.24 3.13 0.44 1.46 2.56 -1.26 -5.00 118.70 116.79 2qx9 s GLU 13 Ca 0.01 -0.80 0.10 0.00 0.00 0.00 0.00 54.97 54.29 2qx9 s GLU 13 Cb 0.10 -3.10 0.98 0.00 2.00 0.00 0.00 34.13 34.11 2qx9 s GLU 13 CO 0.74 -0.33 2.07 -1.35 -0.56 0.00 0.00 175.26 175.83 2qx9 h PRO 14 N 8.11 0.39 0.00 4.30 0.11 -1.98 -1.49 132.00 141.45 2qx9 h PRO 14 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2qx9 h PRO 14 Cb 1.13 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2qx9 h PRO 14 CO 0.59 0.26 0.00 0.87 -0.21 0.00 0.00 178.00 179.51 2qx9 h LYS 15 N 0.41 0.00 -6.68 1.05 1.57 -1.95 -3.40 116.57 107.57 2qx9 h LYS 15 Ca 0.14 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.54 2qx9 h LYS 15 Cb 0.06 0.00 0.20 0.00 0.08 0.00 0.00 32.23 32.57 2qx9 h LYS 15 CO -0.03 0.00 -0.46 -1.13 -0.57 0.00 0.00 179.45 177.26 2qx9 n SER 16 N -2.49 -2.85 -0.10 0.86 3.41 -0.56 -4.80 113.62 107.09 2qx9 n SER 16 Ca 0.04 -0.39 -0.13 0.00 -0.26 0.00 0.00 58.87 58.13 2qx9 n SER 16 Cb 0.40 -0.99 -0.02 0.00 -0.26 0.00 0.00 64.21 63.34 2qx9 n SER 16 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2qx9 h PHE 17 N -2.75 1.10 -0.71 7.33 3.57 -1.89 -2.64 116.94 120.94 2qx9 h PHE 17 Ca -0.46 -0.35 0.00 0.00 3.53 0.00 0.00 57.97 60.69 2qx9 h PHE 17 Cb 1.21 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 2qx9 h PHE 17 CO -1.51 1.17 0.44 -0.91 -2.23 0.00 0.00 178.31 175.28 2qx9 h ASN 18 N 0.73 0.83 -0.75 0.41 4.21 -1.91 -1.31 115.58 117.80 2qx9 h ASN 18 Ca 0.05 -0.04 0.03 0.00 1.21 0.00 0.00 56.30 57.55 2qx9 h ASN 18 Cb 1.03 -0.21 -0.04 0.00 -1.12 0.00 0.00 38.32 37.98 2qx9 h ASN 18 CO 0.10 0.63 0.49 1.23 -1.29 0.00 0.00 177.43 178.59 2qx9 h GLY 19 N 0.99 1.04 1.38 2.83 0.00 -1.68 -0.57 103.07 107.07 2qx9 h GLY 19 Ca 0.26 -0.36 -0.23 0.00 0.00 0.00 0.00 47.33 47.00 2qx9 h GLY 19 CO -0.05 0.31 -0.91 1.76 0.00 0.00 0.00 176.54 177.65 2qx9 h SER 20 N 0.91 0.72 -0.10 0.19 0.02 -1.10 0.13 113.55 114.33 2qx9 h SER 20 Ca 0.30 -0.54 -0.07 0.00 -0.84 0.00 0.00 61.79 60.63 2qx9 h SER 20 Cb 0.05 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2qx9 h SER 20 CO -0.08 1.33 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.71 2qx9 h LEU 21 N 0.35 0.45 0.09 5.07 3.38 -0.97 0.15 115.31 123.82 2qx9 h LEU 21 Ca -0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2qx9 h LEU 21 Cb 1.54 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2qx9 h LEU 21 CO 0.17 0.63 -0.04 0.50 0.09 0.00 0.00 178.44 179.79 2qx9 h LYS 22 N 0.42 -0.11 -0.57 1.13 3.11 -0.97 -1.62 116.57 117.97 2qx9 h LYS 22 Ca 0.08 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.96 2qx9 h LYS 22 Cb 0.52 0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.73 2qx9 h LYS 22 CO 0.03 0.39 0.33 -0.91 -2.81 0.00 0.00 179.45 176.48 2qx9 h ASN 23 N -0.70 0.52 -0.06 4.20 2.35 -0.64 0.88 115.58 122.13 2qx9 h ASN 23 Ca -0.01 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2qx9 h ASN 23 Cb 0.55 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.78 2qx9 h ASN 23 CO 0.02 0.36 -0.29 0.58 -1.65 0.00 0.00 177.43 176.45 2qx9 h VAL 24 N 0.64 0.35 -0.68 2.81 2.07 -0.72 0.10 116.25 120.83 2qx9 h VAL 24 Ca 0.24 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.86 2qx9 h VAL 24 Cb 0.07 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 30.12 2qx9 h VAL 24 CO -0.12 0.00 0.29 0.00 0.02 0.00 0.00 177.57 177.76 2qx9 h ALA 25 N 0.43 0.91 -0.18 1.67 0.00 -0.45 -2.05 119.26 119.60 2qx9 h ALA 25 Ca 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2qx9 h ALA 25 Cb 0.51 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2qx9 h ALA 25 CO -0.29 -0.14 0.08 0.28 0.00 0.00 0.00 179.25 179.18 2qx9 h VAL 26 N 0.49 1.15 -0.20 0.00 2.07 -0.01 -2.55 116.25 117.19 2qx9 h VAL 26 Ca 0.34 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 2qx9 h VAL 26 Cb 0.43 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2qx9 h VAL 26 CO -0.31 0.14 0.12 0.44 0.02 0.00 0.00 177.57 177.98 2qx9 h ASP 27 N 0.14 0.25 0.41 0.57 3.32 -0.43 -2.51 116.42 118.16 2qx9 h ASP 27 Ca 0.06 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2qx9 h ASP 27 Cb 0.15 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2qx9 h ASP 27 CO -0.01 0.24 -0.20 -0.08 -1.72 0.00 0.00 179.24 177.48 2qx9 h GLU 28 N 0.24 -0.53 -0.99 3.56 4.57 -1.40 0.37 114.58 120.40 2qx9 h GLU 28 Ca 0.07 0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.34 2qx9 h GLU 28 Cb 0.04 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.69 2qx9 h GLU 28 CO -0.01 -0.26 0.64 -0.07 -1.18 0.00 0.00 179.01 178.12 2qx9 h LEU 29 N -0.72 1.05 0.85 1.64 3.38 -1.54 0.36 115.31 120.34 2qx9 h LEU 29 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2qx9 h LEU 29 Cb 0.51 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.04 2qx9 h LEU 29 CO 0.09 0.69 -0.41 -1.28 0.09 0.00 0.00 178.44 177.62 2qx9 h SER 30 N 1.20 -0.97 -1.07 -0.43 0.87 -1.37 -1.11 113.55 110.67 2qx9 h SER 30 Ca 0.41 0.03 0.31 0.00 -1.23 0.00 0.00 61.79 61.31 2qx9 h SER 30 Cb 0.09 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 2qx9 h SER 30 CO -0.15 -0.63 0.96 -0.09 -0.53 0.00 0.00 176.83 176.39 2qx9 h ARG 31 N -1.27 0.00 0.00 2.24 2.43 0.52 1.18 114.38 119.48 2qx9 h ARG 31 Ca -0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2qx9 h ARG 31 Cb 0.88 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2qx9 h ARG 31 CO 0.19 0.00 -0.24 1.04 -1.51 0.00 0.00 179.97 179.46 2qx9 n GLN 32 N -3.72 0.06 0.00 0.20 6.02 0.04 -4.92 117.38 115.06 2qx9 n GLN 32 Ca 0.23 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 2qx9 n GLN 32 Cb 1.30 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 31.01 2qx9 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qx9 n GLY 33 N 1.46 0.92 3.82 1.08 0.00 0.41 -4.64 105.19 108.24 2qx9 n GLY 33 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2qx9 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx9 s THR 35 N -1.91 4.81 -0.06 0.00 2.01 -0.63 -4.33 115.64 115.52 2qx9 s THR 35 Ca 0.54 1.97 0.04 0.00 0.31 0.00 0.00 61.69 64.55 2qx9 s THR 35 Cb -0.12 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.11 2qx9 s THR 35 CO 0.18 0.21 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.45 2qx9 s VAL 36 N 0.72 1.56 0.05 3.82 1.01 -1.26 -0.06 120.40 126.25 2qx9 s VAL 36 Ca 0.49 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.78 2qx9 s VAL 36 Cb -0.21 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2qx9 s VAL 36 CO 0.27 0.45 -0.20 -0.89 0.00 0.00 0.00 175.10 174.72 2qx9 s THR 37 N 0.24 1.64 -0.03 3.92 2.01 0.34 -4.97 115.64 118.78 2qx9 s THR 37 Ca -0.10 -1.23 0.02 0.00 0.31 0.00 0.00 61.69 60.70 2qx9 s THR 37 Cb -0.14 -1.43 0.01 0.00 0.01 0.00 0.00 72.50 70.94 2qx9 s THR 37 CO 0.04 0.16 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.35 2qx9 s VAL 38 N -0.85 0.80 -0.55 3.82 1.01 -1.26 -1.30 120.40 122.07 2qx9 s VAL 38 Ca 0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 2qx9 s VAL 38 Cb -0.09 -0.73 0.14 0.00 0.00 0.00 0.00 36.38 35.71 2qx9 s VAL 38 CO 0.02 0.26 0.36 -0.44 0.00 0.00 0.00 175.10 175.30 2qx9 s SER 39 N 0.35 5.27 -1.16 3.32 0.01 0.04 -4.97 113.70 116.56 2qx9 s SER 39 Ca -0.06 -2.56 -0.17 0.00 1.31 0.00 0.00 55.95 54.48 2qx9 s SER 39 Cb -0.10 -1.85 0.13 0.00 0.21 0.00 0.00 66.02 64.40 2qx9 s SER 39 CO 0.01 -0.44 1.45 -0.62 0.41 0.00 0.00 173.24 174.05 2qx9 s ASP 40 N 1.13 6.87 0.28 2.44 2.15 -1.26 -0.91 116.67 127.38 2qx9 s ASP 40 Ca 0.14 -2.52 -0.06 0.00 0.43 0.00 0.00 52.55 50.54 2qx9 s ASP 40 Cb -0.21 -2.46 0.50 0.00 -0.30 0.00 0.00 42.92 40.45 2qx9 s ASP 40 CO -0.04 -0.99 1.55 0.18 -0.17 0.00 0.00 175.17 175.70 2qx9 n LEU 41 N 6.82 -0.32 -0.28 -1.34 4.77 -0.77 -1.09 117.00 124.79 2qx9 n LEU 41 Ca 0.37 1.70 -0.05 0.00 -0.03 0.00 0.00 56.01 58.00 2qx9 n LEU 41 Cb 0.46 -0.53 0.07 0.00 -2.33 0.00 0.00 43.42 41.08 2qx9 n LEU 41 CO 0.64 -1.65 1.15 1.88 -1.33 0.00 0.00 177.39 178.08 2qx9 h TYR 42 N 0.00 1.04 0.00 -1.77 0.05 -1.84 -0.24 116.97 114.21 2qx9 h TYR 42 Ca 0.50 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 59.21 2qx9 h TYR 42 Cb 0.81 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 2qx9 h TYR 42 CO -0.72 0.71 -0.26 0.00 -1.05 0.00 0.00 178.16 176.84 2qx9 h ALA 43 N 1.24 1.03 0.00 3.88 0.00 -1.45 -1.76 119.26 122.20 2qx9 h ALA 43 Ca 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qx9 h ALA 43 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2qx9 h ALA 43 CO -0.05 0.32 -0.04 0.52 0.00 0.00 0.00 179.25 180.00 2qx9 h MET 44 N 0.00 0.00 -4.63 0.00 2.86 -0.57 -3.47 114.93 109.12 2qx9 h MET 44 Ca -0.00 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.28 2qx9 h MET 44 Cb 0.77 0.00 0.09 0.00 0.06 0.00 0.00 31.60 32.51 2qx9 h MET 44 CO 0.03 0.00 -0.57 0.09 1.06 0.00 0.00 176.91 177.52 2qx9 n ASN 45 N -2.90 -5.78 -4.61 1.22 3.02 -0.17 -4.86 115.26 101.18 2qx9 n ASN 45 Ca 0.04 -0.36 -0.51 0.00 -0.03 0.00 0.00 54.58 53.72 2qx9 n ASN 45 Cb 0.51 -4.51 -0.06 0.00 -0.61 0.00 0.00 39.78 35.12 2qx9 n ASN 45 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2qx9 n PHE 46 N -4.55 1.70 -2.40 3.10 7.35 -0.85 -4.90 117.46 116.90 2qx9 n PHE 46 Ca -0.05 0.55 -0.43 0.00 -0.76 0.00 0.00 57.45 56.76 2qx9 n PHE 46 Cb 0.58 -2.38 -0.02 0.00 0.35 0.00 0.00 39.48 38.01 2qx9 n PHE 46 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2qx9 s GLU 47 N 0.60 4.24 0.00 -4.13 2.56 -1.26 -4.92 118.70 115.79 2qx9 s GLU 47 Ca 0.83 1.70 0.22 0.00 0.00 0.00 0.00 54.97 57.72 2qx9 s GLU 47 Cb -0.89 -3.76 -0.15 0.00 2.00 0.00 0.00 34.13 31.33 2qx9 s GLU 47 CO 0.45 -0.69 0.89 -0.35 -0.56 0.00 0.00 175.26 174.99 2qx9 n PRO 48 N 6.51 0.16 -2.79 4.30 -0.04 -1.26 -4.74 135.00 137.14 2qx9 n PRO 48 Ca 0.14 -0.04 -0.41 0.00 -0.04 0.00 0.00 63.50 63.15 2qx9 n PRO 48 Cb 0.45 -1.52 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 2qx9 n PRO 48 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2qx9 s ARG 49 N -3.12 4.61 -0.79 0.54 0.52 -1.26 -4.28 118.95 115.16 2qx9 s ARG 49 Ca 0.05 1.34 -0.25 0.00 -0.52 0.00 0.00 55.73 56.34 2qx9 s ARG 49 Cb 0.15 -3.40 0.04 0.00 0.52 0.00 0.00 34.95 32.27 2qx9 s ARG 49 CO 0.85 0.15 1.27 0.00 0.02 0.00 0.00 175.30 177.59 2qx9 s ALA 50 N 0.31 2.81 0.32 2.13 0.00 -1.26 -4.98 121.76 121.08 2qx9 s ALA 50 Ca 0.46 -1.66 0.04 0.00 0.00 0.00 0.00 51.96 50.80 2qx9 s ALA 50 Cb -0.22 -4.26 -0.06 0.00 0.00 0.00 0.00 23.12 18.58 2qx9 s ALA 50 CO 0.27 -3.29 0.06 0.95 0.00 0.00 0.00 175.76 173.76 2qx9 s THR 51 N 5.28 1.14 -0.66 0.00 -4.23 -1.26 -5.01 115.64 110.91 2qx9 s THR 51 Ca 0.36 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.00 2qx9 s THR 51 Cb -0.07 -2.79 0.13 0.00 1.34 0.00 0.00 72.50 71.11 2qx9 s THR 51 CO 0.08 0.00 1.40 -0.90 -0.54 0.00 0.00 174.62 174.66 2qx9 n ASP 52 N -0.67 0.28 0.03 3.99 5.75 -1.26 -1.29 116.55 123.38 2qx9 n ASP 52 Ca -0.02 0.61 0.10 0.00 -0.01 0.00 0.00 54.79 55.47 2qx9 n ASP 52 Cb 0.67 -0.66 0.42 0.00 -1.03 0.00 0.00 41.12 40.52 2qx9 n ASP 52 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qx9 n LYS 53 N -1.86 0.04 0.23 0.11 4.76 -1.26 -2.46 118.16 117.73 2qx9 n LYS 53 Ca 0.00 0.21 0.14 0.00 -2.87 0.00 0.00 58.31 55.80 2qx9 n LYS 53 Cb 0.07 -1.57 0.44 0.00 -1.84 0.00 0.00 35.03 32.13 2qx9 n LYS 53 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2qx9 h ASP 54 N 0.00 0.00 -3.47 4.39 3.32 -1.57 -3.38 116.42 115.71 2qx9 h ASP 54 Ca 0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 2qx9 h ASP 54 Cb 0.36 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.59 2qx9 h ASP 54 CO 0.00 0.00 -0.52 -0.63 -1.72 0.00 0.00 179.24 176.37 2qx9 s ILE 55 N -3.42 3.53 0.14 0.35 1.09 -1.03 -0.56 121.20 121.30 2qx9 s ILE 55 Ca 0.04 -1.88 -0.15 0.00 -1.10 0.00 0.00 60.65 57.56 2qx9 s ILE 55 Cb 0.08 -3.34 0.00 0.00 -1.06 0.00 0.00 42.46 38.14 2qx9 s ILE 55 CO 0.59 -0.64 1.67 0.71 -0.10 0.00 0.00 174.94 177.17 2qx9 h THR 56 N 6.30 1.21 -0.83 2.92 1.35 -1.59 -3.45 112.91 118.81 2qx9 h THR 56 Ca -0.16 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 2qx9 h THR 56 Cb 1.06 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2qx9 h THR 56 CO 0.72 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.83 2qx9 n GLY 57 N -0.73 -3.50 3.79 5.82 0.00 -1.26 -4.97 105.19 104.33 2qx9 n GLY 57 Ca 0.00 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 2qx9 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qx9 s THR 58 N -0.83 4.72 0.28 2.61 2.01 -1.26 -5.05 115.64 118.13 2qx9 s THR 58 Ca 0.00 1.32 -0.29 0.00 0.31 0.00 0.00 61.69 63.03 2qx9 s THR 58 Cb 0.00 -3.95 -0.09 0.00 0.01 0.00 0.00 72.50 68.46 2qx9 s THR 58 CO 0.00 0.51 1.06 -0.76 -0.69 0.00 0.00 174.62 174.73 2qx9 s LEU 59 N -0.84 4.53 0.24 4.42 1.43 -1.26 -4.94 118.68 122.26 2qx9 s LEU 59 Ca 0.31 2.17 -0.05 0.00 -1.03 0.00 0.00 54.13 55.53 2qx9 s LEU 59 Cb -0.20 -3.68 0.25 0.00 0.03 0.00 0.00 46.19 42.59 2qx9 s LEU 59 CO 0.20 -0.11 1.75 0.77 0.23 0.00 0.00 176.35 179.19 2qx9 h SER 60 N 3.75 0.90 -2.69 2.29 4.64 -1.96 -3.37 113.55 117.10 2qx9 h SER 60 Ca -0.46 -0.20 -0.59 0.00 -0.47 0.00 0.00 61.79 60.06 2qx9 h SER 60 Cb 1.21 -0.24 -0.39 0.00 -0.31 0.00 0.00 62.40 62.67 2qx9 h SER 60 CO 0.67 0.91 -0.86 0.21 -0.87 0.00 0.00 176.83 176.89 2qx9 s ASN 61 N -6.57 2.62 0.09 4.97 2.47 -1.26 -4.98 114.94 112.29 2qx9 s ASN 61 Ca -0.11 -2.71 0.22 0.00 0.42 0.00 0.00 52.86 50.68 2qx9 s ASN 61 Cb 0.15 -0.61 0.88 0.00 -1.45 0.00 0.00 41.25 40.22 2qx9 s ASN 61 CO 0.83 -0.23 1.68 -0.81 -3.72 0.00 0.00 177.10 174.84 2qx9 n PRO 62 N 3.36 0.09 -0.09 0.43 -0.04 -1.26 -3.77 135.00 133.72 2qx9 n PRO 62 Ca 0.19 0.23 -0.10 0.00 -0.04 0.00 0.00 63.50 63.78 2qx9 n PRO 62 Cb 0.41 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 2qx9 n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2qx9 h GLU 63 N 0.00 0.42 -3.69 0.54 4.39 -1.96 -3.38 114.58 110.89 2qx9 h GLU 63 Ca 0.00 -0.07 -0.58 0.00 0.34 0.00 0.00 59.36 59.06 2qx9 h GLU 63 Cb 0.41 -0.07 -0.40 0.00 -0.10 0.00 0.00 28.75 28.59 2qx9 h GLU 63 CO 0.00 0.42 -0.76 0.08 -1.16 0.00 0.00 179.01 177.59 2qx9 s VAL 64 N -5.62 0.93 -0.21 3.13 1.01 -1.25 -5.11 120.40 113.29 2qx9 s VAL 64 Ca -0.13 -1.25 -0.29 0.00 0.00 0.00 0.00 61.98 60.31 2qx9 s VAL 64 Cb 0.09 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 2qx9 s VAL 64 CO 0.72 -0.52 1.16 0.12 0.00 0.00 0.00 175.10 176.59 2qx9 s PHE 65 N 1.61 3.07 -0.38 5.22 5.36 -1.26 -4.94 117.98 126.66 2qx9 s PHE 65 Ca 0.06 1.21 -0.01 0.00 -0.96 0.00 0.00 56.93 57.23 2qx9 s PHE 65 Cb -0.17 -3.42 0.11 0.00 -0.34 0.00 0.00 43.02 39.19 2qx9 s PHE 65 CO -0.19 -1.13 0.15 1.21 -1.46 0.00 0.00 175.22 173.80 2qx9 s ASN 66 N 1.66 5.10 0.28 6.13 3.84 -1.26 -4.99 114.94 125.69 2qx9 s ASN 66 Ca 0.50 -2.05 0.01 0.00 0.21 0.00 0.00 52.86 51.53 2qx9 s ASN 66 Cb -0.18 -1.77 0.64 0.00 -0.55 0.00 0.00 41.25 39.40 2qx9 s ASN 66 CO 0.11 -0.49 1.68 0.22 -2.79 0.00 0.00 177.10 175.84 2qx9 h TYR 67 N 7.92 0.46 -0.14 0.43 3.20 -1.96 0.23 116.97 127.11 2qx9 h TYR 67 Ca -0.11 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.83 2qx9 h TYR 67 Cb 1.04 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 2qx9 h TYR 67 CO 0.53 -0.10 0.02 0.78 -1.64 0.00 0.00 178.16 177.74 2qx9 h GLY 68 N 0.31 0.14 0.84 1.82 0.00 -2.00 -0.93 103.07 103.25 2qx9 h GLY 68 Ca 0.52 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.79 2qx9 h GLY 68 CO -0.56 -0.01 -0.04 -2.08 0.00 0.00 0.00 176.54 173.86 2qx9 h VAL 69 N 0.07 1.28 -0.50 4.60 2.07 -1.62 -2.81 116.25 119.34 2qx9 h VAL 69 Ca 0.06 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 2qx9 h VAL 69 Cb 0.06 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2qx9 h VAL 69 CO -0.09 0.31 0.18 -0.33 0.02 0.00 0.00 177.57 177.67 2qx9 h GLU 70 N 0.20 0.75 -0.04 1.57 4.39 -0.90 -2.01 114.58 118.54 2qx9 h GLU 70 Ca 0.06 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 2qx9 h GLU 70 Cb 0.49 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2qx9 h GLU 70 CO 0.02 0.68 -0.36 1.79 -1.16 0.00 0.00 179.01 179.98 2qx9 h THR 71 N 0.66 1.27 -0.52 1.13 1.35 -1.23 0.39 112.91 115.97 2qx9 h THR 71 Ca 0.16 -1.29 -0.08 0.00 -0.55 0.00 0.00 66.41 64.65 2qx9 h THR 71 Cb 0.22 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.27 2qx9 h THR 71 CO -0.01 0.38 0.01 -0.74 -0.25 0.00 0.00 175.52 174.91 2qx9 h HIS 72 N 0.06 0.98 0.20 4.73 -0.00 -1.25 -0.82 115.15 119.05 2qx9 h HIS 72 Ca 0.01 -0.16 -0.01 0.00 -0.00 0.00 0.00 60.37 60.20 2qx9 h HIS 72 Cb 0.67 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 2qx9 h HIS 72 CO 0.00 0.90 -0.09 1.49 -0.00 0.00 0.00 177.93 180.23 2qx9 h GLU 73 N 0.77 -0.25 -0.61 5.26 4.57 -0.69 -3.05 114.58 120.59 2qx9 h GLU 73 Ca 0.15 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.38 2qx9 h GLU 73 Cb 0.50 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 2qx9 h GLU 73 CO 0.02 -0.08 0.40 0.00 -1.18 0.00 0.00 179.01 178.17 2qx9 h ALA 74 N 0.41 1.71 -0.54 2.92 0.00 -0.10 -2.00 119.26 121.66 2qx9 h ALA 74 Ca -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2qx9 h ALA 74 Cb 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2qx9 h ALA 74 CO 0.04 0.22 0.26 -0.92 0.00 0.00 0.00 179.25 178.85 2qx9 h TYR 75 N 0.68 0.77 -0.24 0.00 3.20 -1.07 0.23 116.97 120.55 2qx9 h TYR 75 Ca 0.25 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 2qx9 h TYR 75 Cb 0.13 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2qx9 h TYR 75 CO -0.00 0.60 -0.09 0.87 -1.64 0.00 0.00 178.16 177.90 2qx9 h LYS 76 N 0.72 0.38 -0.09 1.82 1.57 -1.27 -2.52 116.57 117.18 2qx9 h LYS 76 Ca 0.18 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2qx9 h LYS 76 Cb 0.12 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2qx9 h LYS 76 CO -0.02 0.48 0.00 1.04 -0.57 0.00 0.00 179.45 180.38 2qx9 n GLN 77 N -4.26 1.77 -3.68 3.15 1.13 -0.95 -4.94 117.38 109.60 2qx9 n GLN 77 Ca 0.00 -1.14 -0.24 0.00 -1.94 0.00 0.00 57.00 53.68 2qx9 n GLN 77 Cb 0.27 -1.45 0.06 0.00 0.11 0.00 0.00 30.24 29.23 2qx9 n GLN 77 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2qx9 n ARG 78 N 0.37 -6.53 -0.33 -1.09 1.74 0.10 -4.91 116.66 106.01 2qx9 n ARG 78 Ca 0.18 0.73 0.08 0.00 -0.77 0.00 0.00 57.85 58.06 2qx9 n ARG 78 Cb 0.37 -5.65 0.18 0.00 -1.02 0.00 0.00 32.46 26.34 2qx9 n ARG 78 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2qx9 n SER 79 N -2.99 2.17 -4.85 0.55 3.41 0.57 -5.03 113.62 107.46 2qx9 n SER 79 Ca -0.08 -3.44 -0.32 0.00 -0.26 0.00 0.00 58.87 54.77 2qx9 n SER 79 Cb 0.59 -0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 2qx9 n SER 79 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qx9 s LEU 80 N -3.04 3.73 0.47 1.04 1.43 -1.25 -2.08 118.68 118.98 2qx9 s LEU 80 Ca 0.35 1.49 -0.21 0.00 -1.03 0.00 0.00 54.13 54.73 2qx9 s LEU 80 Cb 0.32 -4.40 -0.11 0.00 0.03 0.00 0.00 46.19 42.04 2qx9 s LEU 80 CO -0.01 -0.50 0.68 0.00 0.23 0.00 0.00 176.35 176.75 2qx9 n ALA 81 N -1.33 -0.89 0.24 4.21 0.00 0.27 -4.74 120.51 118.27 2qx9 n ALA 81 Ca 0.06 0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.71 2qx9 n ALA 81 Cb 0.54 -1.88 0.62 0.00 0.00 0.00 0.00 19.45 18.73 2qx9 n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qx9 h SER 82 N 0.80 0.00 -0.31 0.00 4.64 -1.94 -2.44 113.55 114.30 2qx9 h SER 82 Ca -0.43 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.82 2qx9 h SER 82 Cb 1.38 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.45 2qx9 h SER 82 CO 0.51 0.16 -0.02 -2.24 -0.87 0.00 0.00 176.83 174.37 2qx9 h ASP 83 N 0.00 0.65 -0.15 4.97 2.03 -2.00 0.73 116.42 122.66 2qx9 h ASP 83 Ca -0.00 -0.15 -0.19 0.00 -0.73 0.00 0.00 57.03 55.96 2qx9 h ASP 83 Cb 0.34 -0.17 0.01 0.00 -0.83 0.00 0.00 39.33 38.68 2qx9 h ASP 83 CO 0.02 0.74 -0.63 0.40 -1.03 0.00 0.00 179.24 178.73 2qx9 h ILE 84 N 0.64 1.31 -0.77 4.15 2.04 -1.81 -2.94 117.51 120.12 2qx9 h ILE 84 Ca 0.13 -1.88 -0.04 0.00 1.00 0.00 0.00 64.86 64.07 2qx9 h ILE 84 Cb 0.43 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 2qx9 h ILE 84 CO 0.02 0.58 0.34 0.74 0.00 0.00 0.00 178.15 179.84 2qx9 h THR 85 N 0.37 1.25 -0.56 -0.27 2.02 -1.20 -0.46 112.91 114.07 2qx9 h THR 85 Ca -0.04 -0.75 0.02 0.00 0.77 0.00 0.00 66.41 66.42 2qx9 h THR 85 Cb 1.27 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 2qx9 h THR 85 CO 0.13 0.31 0.34 0.44 0.37 0.00 0.00 175.52 177.11 2qx9 h ASP 86 N 1.11 0.56 -0.28 4.18 3.32 -0.83 -0.75 116.42 123.72 2qx9 h ASP 86 Ca 0.26 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 2qx9 h ASP 86 Cb 0.16 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2qx9 h ASP 86 CO -0.03 0.39 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.55 2qx9 h GLU 87 N 0.68 0.50 -0.51 3.56 4.39 -1.28 -2.22 114.58 119.70 2qx9 h GLU 87 Ca 0.22 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2qx9 h GLU 87 Cb 0.01 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 2qx9 h GLU 87 CO -0.09 0.66 0.31 1.96 -1.16 0.00 0.00 179.01 180.68 2qx9 h GLN 88 N 0.28 0.69 -0.77 2.33 4.20 -0.92 -0.13 115.11 120.80 2qx9 h GLN 88 Ca 0.08 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 2qx9 h GLN 88 Cb 0.43 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.03 2qx9 h GLN 88 CO 0.02 0.49 0.37 -0.22 -0.67 0.00 0.00 178.83 178.81 2qx9 h LYS 89 N 0.70 1.10 -0.17 1.46 3.64 -0.76 -0.11 116.57 122.42 2qx9 h LYS 89 Ca 0.18 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 2qx9 h LYS 89 Cb -0.02 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 2qx9 h LYS 89 CO -0.03 0.84 -0.24 0.87 -2.27 0.00 0.00 179.45 178.62 2qx9 h LYS 90 N 1.09 0.47 -0.50 1.90 1.57 -0.53 -2.79 116.57 117.77 2qx9 h LYS 90 Ca 0.27 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2qx9 h LYS 90 Cb 0.11 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 2qx9 h LYS 90 CO -0.03 0.86 0.32 0.28 -0.57 0.00 0.00 179.45 180.30 2qx9 h VAL 91 N 0.11 1.09 -0.70 0.50 2.07 -0.90 -1.86 116.25 116.57 2qx9 h VAL 91 Ca 0.02 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.38 2qx9 h VAL 91 Cb 0.80 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2qx9 h VAL 91 CO 0.06 0.12 0.46 -0.09 0.02 0.00 0.00 177.57 178.13 2qx9 h ARG 92 N 0.64 0.73 0.06 1.57 2.43 -1.02 -2.33 114.38 116.46 2qx9 h ARG 92 Ca 0.19 -0.04 -0.26 0.00 -0.81 0.00 0.00 59.98 59.06 2qx9 h ARG 92 Cb -0.03 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2qx9 h ARG 92 CO -0.07 0.48 -1.09 0.93 -1.51 0.00 0.00 179.97 178.71 2qx9 h GLU 93 N 0.75 0.46 -6.90 0.20 5.08 -1.15 -3.47 114.58 109.55 2qx9 h GLU 93 Ca 0.30 -0.58 -0.56 0.00 -1.00 0.00 0.00 59.36 57.52 2qx9 h GLU 93 Cb 0.21 0.18 0.13 0.00 0.50 0.00 0.00 28.75 29.78 2qx9 h GLU 93 CO -0.09 1.22 0.51 0.00 -1.00 0.00 0.00 179.01 179.65 2qx9 n ALA 94 N -2.59 1.36 -0.09 3.43 0.00 -0.74 -4.78 120.51 117.10 2qx9 n ALA 94 Ca -0.09 0.20 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 2qx9 n ALA 94 Cb 0.92 -2.29 -0.14 0.00 0.00 0.00 0.00 19.45 17.94 2qx9 n ALA 94 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qx9 n ASP 95 N -0.26 0.58 -3.97 0.00 8.00 0.19 -4.90 116.55 116.19 2qx9 n ASP 95 Ca 0.08 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.37 2qx9 n ASP 95 Cb 0.42 0.96 -0.16 0.00 -0.02 0.00 0.00 41.12 42.32 2qx9 n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qx9 s LEU 96 N -5.30 1.58 -0.16 0.64 2.96 -0.91 -0.74 118.68 116.76 2qx9 s LEU 96 Ca -0.09 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 2qx9 s LEU 96 Cb 0.05 -0.60 0.03 0.00 0.50 0.00 0.00 46.19 46.17 2qx9 s LEU 96 CO 0.73 0.01 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.95 2qx9 s VAL 97 N 0.60 1.58 -0.09 1.68 1.01 0.13 0.67 120.40 125.98 2qx9 s VAL 97 Ca -0.10 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 2qx9 s VAL 97 Cb -0.13 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2qx9 s VAL 97 CO 0.01 0.41 -0.01 -0.63 0.00 0.00 0.00 175.10 174.88 2qx9 s ILE 98 N 1.47 4.18 -0.20 2.22 1.01 0.26 -1.30 121.20 128.84 2qx9 s ILE 98 Ca 0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 2qx9 s ILE 98 Cb -0.13 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 2qx9 s ILE 98 CO -0.10 0.59 -0.07 -0.36 0.00 0.00 0.00 174.94 175.00 2qx9 s PHE 99 N -0.74 2.93 -0.21 3.97 0.08 0.01 -0.09 117.98 123.93 2qx9 s PHE 99 Ca 0.11 -0.87 -0.02 0.00 0.12 0.00 0.00 56.93 56.27 2qx9 s PHE 99 Cb -0.12 -2.04 -0.00 0.00 -0.57 0.00 0.00 43.02 40.30 2qx9 s PHE 99 CO 0.02 -0.46 -0.09 -1.14 -0.10 0.00 0.00 175.22 173.45 2qx9 s GLN 100 N 1.18 3.28 0.02 0.44 2.00 -0.45 -0.02 119.66 126.11 2qx9 s GLN 100 Ca 0.02 -0.68 -0.28 0.00 -2.00 0.00 0.00 55.36 52.42 2qx9 s GLN 100 Cb -0.14 -2.89 0.10 0.00 0.80 0.00 0.00 33.01 30.88 2qx9 s GLN 100 CO -0.02 -0.19 0.84 -0.59 -0.50 0.00 0.00 175.29 174.84 2qx9 s PHE 101 N 1.40 -0.37 0.02 1.67 -0.12 -0.73 -1.52 117.98 118.33 2qx9 s PHE 101 Ca 0.05 0.22 -0.18 0.00 -0.05 0.00 0.00 56.93 56.97 2qx9 s PHE 101 Cb -0.14 0.54 -0.06 0.00 -0.63 0.00 0.00 43.02 42.74 2qx9 s PHE 101 CO -0.06 -0.60 0.52 -1.25 -0.05 0.00 0.00 175.22 173.79 2qx9 s PRO 102 N -3.22 4.16 0.19 1.99 0.04 -1.26 -1.88 135.00 135.02 2qx9 s PRO 102 Ca 0.04 0.62 -0.31 0.00 0.04 0.00 0.00 61.00 61.40 2qx9 s PRO 102 Cb -0.01 -3.27 -0.09 0.00 0.04 0.00 0.00 34.50 31.16 2qx9 s PRO 102 CO -0.09 0.55 1.45 -1.17 0.04 0.00 0.00 177.00 177.78 2qx9 s LEU 103 N -0.75 4.38 -0.20 -3.56 2.96 -0.33 -4.24 118.68 116.95 2qx9 s LEU 103 Ca 0.28 2.55 -0.00 0.00 -0.22 0.00 0.00 54.13 56.73 2qx9 s LEU 103 Cb -0.18 -3.60 0.05 0.00 0.50 0.00 0.00 46.19 42.96 2qx9 s LEU 103 CO 0.16 -0.71 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.13 2qx9 s TYR 104 N 0.60 1.87 -1.34 5.38 1.51 0.19 -4.81 117.35 120.75 2qx9 s TYR 104 Ca 0.63 -1.31 -0.05 0.00 -1.01 0.00 0.00 57.07 55.33 2qx9 s TYR 104 Cb -0.41 -1.38 -0.00 0.00 -0.11 0.00 0.00 41.96 40.07 2qx9 s TYR 104 CO 0.36 -0.68 0.52 0.91 -1.11 0.00 0.00 175.55 175.55 2qx9 n TRP 105 N 4.82 -1.71 -1.14 2.71 7.02 -1.26 -0.52 117.44 127.36 2qx9 n TRP 105 Ca -0.12 0.68 -0.05 0.00 -1.02 0.00 0.00 57.50 56.99 2qx9 n TRP 105 Cb 0.46 -3.71 -0.02 0.00 -2.42 0.00 0.00 31.31 25.62 2qx9 n TRP 105 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2qx9 n PHE 106 N -4.36 0.00 -2.97 -5.99 3.01 -1.26 -4.89 117.46 101.00 2qx9 n PHE 106 Ca -0.26 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.20 2qx9 n PHE 106 Cb 0.66 -2.08 0.00 0.00 -0.01 0.00 0.00 39.48 38.06 2qx9 n PHE 106 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2qx9 n SER 107 N -0.87 0.00 -4.89 4.37 2.88 0.32 -4.87 113.62 110.57 2qx9 n SER 107 Ca -0.05 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.18 2qx9 n SER 107 Cb 0.47 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.88 2qx9 n SER 107 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2qx9 s VAL 108 N -0.94 5.01 0.48 2.46 -7.23 -1.26 -0.64 120.40 118.28 2qx9 s VAL 108 Ca 0.00 0.28 -0.24 0.00 -1.81 0.00 0.00 61.98 60.21 2qx9 s VAL 108 Cb 0.00 -3.64 -0.07 0.00 0.56 0.00 0.00 36.38 33.23 2qx9 s VAL 108 CO 0.00 -0.08 1.39 -2.65 -0.31 0.00 0.00 175.10 173.45 2qx9 n PRO 109 N -0.21 2.02 -0.37 4.82 -0.02 -1.26 -4.69 135.00 135.29 2qx9 n PRO 109 Ca -0.01 0.73 0.30 0.00 -2.02 0.00 0.00 63.50 62.51 2qx9 n PRO 109 Cb 0.52 -2.59 0.61 0.00 -0.02 0.00 0.00 33.50 32.03 2qx9 n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qx9 h ALA 110 N 1.96 2.62 -0.01 3.55 0.00 -1.96 0.08 119.26 125.50 2qx9 h ALA 110 Ca -0.51 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 2qx9 h ALA 110 Cb 1.28 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2qx9 h ALA 110 CO 0.59 -1.08 -0.31 0.97 0.00 0.00 0.00 179.25 179.43 2qx9 h ILE 111 N 0.21 1.23 0.05 0.00 2.10 -1.95 -0.55 117.51 118.61 2qx9 h ILE 111 Ca 0.66 -1.08 -0.25 0.00 1.08 0.00 0.00 64.86 65.27 2qx9 h ILE 111 Cb 2.05 1.57 -0.02 0.00 -1.09 0.00 0.00 36.82 39.32 2qx9 h ILE 111 CO -0.26 0.31 -1.25 0.25 -1.08 0.00 0.00 178.15 176.12 2qx9 h LEU 112 N 0.02 0.16 -0.94 2.19 5.85 -1.32 -2.87 115.31 118.41 2qx9 h LEU 112 Ca 0.00 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 2qx9 h LEU 112 Cb 0.56 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2qx9 h LEU 112 CO 0.04 1.16 0.15 0.50 -0.34 0.00 0.00 178.44 179.95 2qx9 h LYS 113 N 0.03 0.93 -0.63 1.25 1.63 -1.11 -1.03 116.57 117.64 2qx9 h LYS 113 Ca -0.12 -0.20 -0.04 0.00 -0.85 0.00 0.00 60.65 59.44 2qx9 h LYS 113 Cb 1.89 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 33.36 2qx9 h LYS 113 CO 0.14 0.82 0.22 0.78 -3.45 0.00 0.00 179.45 177.97 2qx9 h GLY 114 N 1.02 1.01 1.15 5.01 0.00 -1.11 0.11 103.07 110.26 2qx9 h GLY 114 Ca 0.19 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 2qx9 h GLY 114 CO -0.00 0.51 0.22 -0.25 0.00 0.00 0.00 176.54 177.03 2qx9 h TRP 115 N 0.92 1.10 -0.25 5.60 7.01 -1.11 0.96 115.95 130.18 2qx9 h TRP 115 Ca 0.21 -0.10 -0.11 0.00 2.11 0.00 0.00 58.89 61.00 2qx9 h TRP 115 Cb 0.22 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 26.96 2qx9 h TRP 115 CO 0.02 0.87 -0.27 0.52 -2.79 0.00 0.00 178.44 176.78 2qx9 h MET 116 N 1.03 0.62 -0.49 2.65 2.86 -0.32 -0.47 114.93 120.81 2qx9 h MET 116 Ca 0.23 -0.34 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 2qx9 h MET 116 Cb 0.28 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2qx9 h MET 116 CO -0.01 0.94 0.03 -0.44 1.06 0.00 0.00 176.91 178.49 2qx9 h ASP 117 N 0.33 0.81 0.74 1.22 3.32 -0.53 -2.85 116.42 119.45 2qx9 h ASP 117 Ca 0.04 -0.29 -0.24 0.00 0.02 0.00 0.00 57.03 56.56 2qx9 h ASP 117 Cb 0.84 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 2qx9 h ASP 117 CO 0.07 0.90 -1.37 0.03 -1.72 0.00 0.00 179.24 177.14 2qx9 h ARG 118 N 0.70 0.00 0.14 3.56 3.08 -0.85 -3.40 114.38 117.61 2qx9 h ARG 118 Ca 0.14 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.85 2qx9 h ARG 118 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2qx9 h ARG 118 CO 0.02 0.62 -1.78 0.28 -1.07 0.00 0.00 179.97 178.04 2qx9 h VAL 119 N 0.00 0.88 -1.72 2.04 2.07 -1.15 -3.40 116.25 114.96 2qx9 h VAL 119 Ca -0.17 -2.53 -0.76 0.00 0.82 0.00 0.00 66.70 64.07 2qx9 h VAL 119 Cb 1.84 2.66 -0.17 0.00 -1.52 0.00 0.00 31.29 34.10 2qx9 h VAL 119 CO 0.09 0.84 1.75 0.18 0.02 0.00 0.00 177.57 180.45 2qx9 n LEU 120 N -3.49 6.32 -4.97 2.57 4.77 -1.08 -4.82 117.00 116.30 2qx9 n LEU 120 Ca -0.25 -4.67 -0.21 0.00 -0.03 0.00 0.00 56.01 50.85 2qx9 n LEU 120 Cb 1.06 -1.49 0.02 0.00 -2.33 0.00 0.00 43.42 40.68 2qx9 n LEU 120 CO 0.48 1.27 0.28 0.00 -1.33 0.00 0.00 177.39 178.10 2qx9 s GLN 122 N -4.58 4.12 0.00 0.00 0.74 -1.26 -1.39 119.66 117.29 2qx9 s GLN 122 Ca 0.52 2.32 0.00 0.00 0.05 0.00 0.00 55.36 58.25 2qx9 s GLN 122 Cb -0.10 -2.92 0.00 0.00 1.10 0.00 0.00 33.01 31.09 2qx9 s GLN 122 CO 0.37 -0.42 0.00 0.41 -0.55 0.00 0.00 175.29 175.10 2qx9 n GLY 123 N 0.65 2.82 0.07 2.59 0.00 0.21 -4.48 105.19 107.05 2qx9 n GLY 123 Ca 0.02 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 2qx9 n GLY 123 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qx9 n PHE 124 N 0.00 0.34 0.09 1.61 7.35 -0.56 -4.74 117.46 121.55 2qx9 n PHE 124 Ca 0.00 0.15 0.09 0.00 -0.76 0.00 0.00 57.45 56.93 2qx9 n PHE 124 Cb 0.00 -0.53 -0.02 0.00 0.35 0.00 0.00 39.48 39.28 2qx9 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qx9 n ALA 125 N -3.78 2.42 -3.62 3.13 0.00 -0.48 -4.70 120.51 113.48 2qx9 n ALA 125 Ca -0.09 -0.30 -0.07 0.00 0.00 0.00 0.00 53.44 52.97 2qx9 n ALA 125 Cb 0.33 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 2qx9 n ALA 125 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2qx9 s PHE 126 N -3.29 -0.29 0.11 0.00 -0.71 -1.26 -2.63 117.98 109.92 2qx9 s PHE 126 Ca -0.01 0.04 0.01 0.00 -1.04 0.00 0.00 56.93 55.93 2qx9 s PHE 126 Cb 0.10 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.46 2qx9 s PHE 126 CO 0.80 -0.80 -0.05 0.34 -1.34 0.00 0.00 175.22 174.17 2qx9 s ASP 127 N -2.75 1.09 -0.33 1.98 -1.08 0.46 -0.62 116.67 115.42 2qx9 s ASP 127 Ca 0.07 -1.04 0.03 0.00 -0.52 0.00 0.00 52.55 51.09 2qx9 s ASP 127 Cb -0.02 0.11 0.09 0.00 -1.46 0.00 0.00 42.92 41.65 2qx9 s ASP 127 CO -0.04 -0.50 0.04 -0.63 0.52 0.00 0.00 175.17 174.56 2qx9 s ILE 128 N -3.66 2.34 0.60 4.11 -1.09 -1.26 -0.66 121.20 121.58 2qx9 s ILE 128 Ca 0.14 -2.22 -0.08 0.00 -2.23 0.00 0.00 60.65 56.26 2qx9 s ILE 128 Cb 0.06 -2.67 -0.01 0.00 -1.58 0.00 0.00 42.46 38.26 2qx9 s ILE 128 CO -0.03 -0.52 0.94 -2.16 -1.23 0.00 0.00 174.94 171.93 2qx9 s PRO 129 N 0.95 3.16 0.00 2.79 0.04 -1.26 -5.12 135.00 135.55 2qx9 s PRO 129 Ca 0.08 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.38 2qx9 s PRO 129 Cb -0.19 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.14 2qx9 s PRO 129 CO -0.07 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.74 2qx9 n GLY 130 N -2.63 0.05 3.24 0.56 0.00 0.17 -5.09 105.19 101.49 2qx9 n GLY 130 Ca 0.04 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 2qx9 n GLY 130 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qx9 s PHE 131 N 0.00 1.02 0.00 1.61 -0.12 -1.21 -0.40 117.98 118.88 2qx9 s PHE 131 Ca 0.00 -1.28 0.00 0.00 -0.05 0.00 0.00 56.93 55.60 2qx9 s PHE 131 Cb 0.00 -0.46 0.00 0.00 -0.63 0.00 0.00 43.02 41.93 2qx9 s PHE 131 CO 0.00 -0.67 0.00 0.66 -0.05 0.00 0.00 175.22 175.16 2qx9 n TYR 132 N -0.26 0.00 0.28 3.49 4.01 0.94 -2.20 117.16 123.42 2qx9 n TYR 132 Ca 0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.87 2qx9 n TYR 132 Cb 0.65 0.00 0.57 0.00 -0.31 0.00 0.00 39.34 40.25 2qx9 n TYR 132 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2qx9 h ASP 133 N 0.00 0.00 -0.17 7.72 3.32 -1.88 -1.81 116.42 123.60 2qx9 h ASP 133 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 2qx9 h ASP 133 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 2qx9 h ASP 133 CO 0.00 0.00 -0.35 -1.54 -1.72 0.00 0.00 179.24 175.63 2qx9 n SER 134 N -2.32 2.13 -4.70 6.45 3.41 -0.94 -4.98 113.62 112.69 2qx9 n SER 134 Ca 0.00 -3.86 -0.31 0.00 -0.26 0.00 0.00 58.87 54.44 2qx9 n SER 134 Cb 0.14 -0.57 0.14 0.00 -0.26 0.00 0.00 64.21 63.66 2qx9 n SER 134 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2qx9 s GLY 135 N -2.99 1.67 0.21 5.00 0.00 -0.69 -3.41 107.32 107.12 2qx9 s GLY 135 Ca 0.41 0.37 0.25 0.00 0.00 0.00 0.00 44.72 45.75 2qx9 s GLY 135 CO -0.04 0.79 1.76 1.04 0.00 0.00 0.00 173.10 176.65 2qx9 n LEU 136 N -4.01 0.73 -2.01 0.66 4.77 -1.08 -3.32 117.00 112.75 2qx9 n LEU 136 Ca 0.10 0.60 -0.13 0.00 -0.03 0.00 0.00 56.01 56.54 2qx9 n LEU 136 Cb 0.53 -0.40 0.24 0.00 -2.33 0.00 0.00 43.42 41.46 2qx9 n LEU 136 CO 0.52 -0.29 1.11 0.18 -1.33 0.00 0.00 177.39 177.59 2qx9 n LEU 137 N -2.22 6.18 -4.77 2.23 4.77 -0.43 -4.98 117.00 117.78 2qx9 n LEU 137 Ca 0.05 -3.44 -0.39 0.00 -0.03 0.00 0.00 56.01 52.20 2qx9 n LEU 137 Cb 0.37 -0.77 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 2qx9 n LEU 137 CO 0.27 0.95 0.87 0.00 -1.33 0.00 0.00 177.39 178.15 2qx9 s GLN 138 N -3.15 4.06 0.00 3.23 -2.07 -1.21 -2.74 119.66 117.79 2qx9 s GLN 138 Ca 0.55 1.93 0.00 0.00 -1.82 0.00 0.00 55.36 56.02 2qx9 s GLN 138 Cb 0.45 -2.73 0.00 0.00 -1.09 0.00 0.00 33.01 29.64 2qx9 s GLN 138 CO 0.11 -0.34 0.00 0.41 -1.32 0.00 0.00 175.29 174.15 2qx9 n GLY 139 N 0.67 1.24 3.87 2.60 0.00 -1.26 -5.03 105.19 107.30 2qx9 n GLY 139 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 2qx9 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qx9 s LYS 140 N -0.77 3.17 0.01 1.61 1.02 -1.11 -4.99 119.74 118.68 2qx9 s LYS 140 Ca 0.00 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.25 2qx9 s LYS 140 Cb 0.00 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 2qx9 s LYS 140 CO 0.00 0.49 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.37 2qx9 s LEU 141 N -3.29 3.30 0.04 3.17 1.43 0.08 -1.18 118.68 122.23 2qx9 s LEU 141 Ca 0.33 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 2qx9 s LEU 141 Cb -0.10 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 2qx9 s LEU 141 CO 0.26 0.27 -0.11 0.00 0.23 0.00 0.00 176.35 177.00 2qx9 s ALA 142 N -1.06 0.94 -0.10 4.21 0.00 -0.81 -0.70 121.76 124.23 2qx9 s ALA 142 Ca 0.19 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.33 2qx9 s ALA 142 Cb -0.11 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 22.94 2qx9 s ALA 142 CO 0.09 0.14 0.25 -1.17 0.00 0.00 0.00 175.76 175.08 2qx9 s LEU 143 N -1.18 0.55 -0.22 0.00 0.20 -0.42 -1.70 118.68 115.90 2qx9 s LEU 143 Ca -0.01 0.53 -0.10 0.00 0.69 0.00 0.00 54.13 55.24 2qx9 s LEU 143 Cb -0.08 0.79 -0.05 0.00 -0.43 0.00 0.00 46.19 46.42 2qx9 s LEU 143 CO 0.01 -0.15 0.14 -0.76 -0.29 0.00 0.00 176.35 175.30 2qx9 s LEU 144 N 0.99 4.09 -0.40 -0.68 1.43 -1.26 -0.81 118.68 122.04 2qx9 s LEU 144 Ca -0.07 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2qx9 s LEU 144 Cb -0.08 -2.08 0.11 0.00 0.03 0.00 0.00 46.19 44.17 2qx9 s LEU 144 CO -0.07 0.11 0.16 -0.55 0.23 0.00 0.00 176.35 176.24 2qx9 s SER 145 N 0.76 5.01 -0.12 2.29 0.15 0.97 -0.42 113.70 122.34 2qx9 s SER 145 Ca 0.07 -2.19 -0.03 0.00 0.70 0.00 0.00 55.95 54.50 2qx9 s SER 145 Cb -0.13 -1.74 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 2qx9 s SER 145 CO 0.02 -0.45 -0.01 -0.69 1.20 0.00 0.00 173.24 173.30 2qx9 s VAL 146 N 0.89 4.14 0.05 4.45 1.01 0.16 -1.77 120.40 129.33 2qx9 s VAL 146 Ca 0.10 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2qx9 s VAL 146 Cb -0.21 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2qx9 s VAL 146 CO -0.05 0.55 -0.01 0.42 0.00 0.00 0.00 175.10 176.01 2qx9 s THR 147 N -0.30 4.01 0.06 3.92 -4.23 -0.79 -0.60 115.64 117.71 2qx9 s THR 147 Ca 0.06 -0.82 0.03 0.00 -1.18 0.00 0.00 61.69 59.77 2qx9 s THR 147 Cb -0.12 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.84 2qx9 s THR 147 CO 0.02 0.25 -0.09 0.42 -0.54 0.00 0.00 174.62 174.69 2qx9 s THR 148 N -1.19 0.66 0.07 3.99 -4.23 -0.75 -1.18 115.64 113.01 2qx9 s THR 148 Ca 0.22 -1.28 0.08 0.00 -1.18 0.00 0.00 61.69 59.53 2qx9 s THR 148 Cb -0.12 -0.88 -0.22 0.00 1.34 0.00 0.00 72.50 72.63 2qx9 s THR 148 CO 0.14 -0.45 1.10 1.23 -0.54 0.00 0.00 174.62 176.10 2qx9 h GLY 149 N 4.17 0.02 -1.00 3.99 0.00 -1.90 -0.17 103.07 108.18 2qx9 h GLY 149 Ca -0.36 -0.05 -0.48 0.00 0.00 0.00 0.00 47.33 46.43 2qx9 h GLY 149 CO 0.45 0.04 0.34 -0.32 0.00 0.00 0.00 176.54 177.05 2qx9 s GLY 150 N -4.82 1.62 0.23 4.60 0.00 -1.26 -4.38 107.32 103.31 2qx9 s GLY 150 Ca -0.01 -0.27 0.05 0.00 0.00 0.00 0.00 44.72 44.49 2qx9 s GLY 150 CO 0.82 0.17 0.32 -0.51 0.00 0.00 0.00 173.10 173.90 2qx9 s THR 151 N -3.20 5.10 0.44 0.90 -4.23 -1.26 -1.34 115.64 112.04 2qx9 s THR 151 Ca 0.61 -1.04 0.14 0.00 -1.18 0.00 0.00 61.69 60.22 2qx9 s THR 151 Cb -0.14 -3.75 0.33 0.00 1.34 0.00 0.00 72.50 70.28 2qx9 s THR 151 CO 0.54 -0.31 1.98 0.00 -0.54 0.00 0.00 174.62 176.29 2qx9 h ALA 152 N 1.34 2.03 0.50 3.99 0.00 -1.93 -0.42 119.26 124.77 2qx9 h ALA 152 Ca -0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2qx9 h ALA 152 Cb 1.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2qx9 h ALA 152 CO 0.62 -0.16 -0.24 1.49 0.00 0.00 0.00 179.25 180.96 2qx9 h GLU 153 N 0.39 -0.64 -0.53 0.00 4.57 -2.01 -2.57 114.58 113.80 2qx9 h GLU 153 Ca 0.27 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.63 2qx9 h GLU 153 Cb 0.55 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.26 2qx9 h GLU 153 CO -0.07 -0.40 0.37 0.52 -1.18 0.00 0.00 179.01 178.25 2qx9 h MET 154 N -0.72 0.08 -3.04 1.92 2.86 -1.53 -3.24 114.93 111.26 2qx9 h MET 154 Ca -0.07 -0.00 -0.80 0.00 -2.06 0.00 0.00 59.70 56.77 2qx9 h MET 154 Cb 0.54 -0.02 -0.26 0.00 0.06 0.00 0.00 31.60 31.92 2qx9 h MET 154 CO 0.11 0.05 0.93 0.66 1.06 0.00 0.00 176.91 179.73 2qx9 n TYR 155 N -4.41 2.50 -3.95 -0.22 4.01 -0.43 -2.61 117.16 112.04 2qx9 n TYR 155 Ca 0.09 -2.67 -0.08 0.00 -0.16 0.00 0.00 57.90 55.08 2qx9 n TYR 155 Cb 0.54 -1.37 -0.09 0.00 -0.31 0.00 0.00 39.34 38.11 2qx9 n TYR 155 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2qx9 s THR 156 N -2.29 0.17 0.58 -0.72 -4.23 -1.13 -3.55 115.64 104.47 2qx9 s THR 156 Ca 0.32 -1.38 0.28 0.00 -1.18 0.00 0.00 61.69 59.74 2qx9 s THR 156 Cb 0.05 -1.30 0.37 0.00 1.34 0.00 0.00 72.50 72.96 2qx9 s THR 156 CO 0.08 -0.76 2.02 0.11 -0.54 0.00 0.00 174.62 175.54 2qx9 h LYS 157 N 3.10 0.00 -0.60 3.99 1.57 -1.92 0.13 116.57 122.84 2qx9 h LYS 157 Ca -0.34 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.05 2qx9 h LYS 157 Cb 1.18 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.24 2qx9 h LYS 157 CO 0.58 0.00 -0.16 0.25 -0.57 0.00 0.00 179.45 179.55 2qx9 n THR 158 N -3.82 2.74 -4.44 -0.16 -2.24 -1.26 -4.79 114.28 100.31 2qx9 n THR 158 Ca 0.04 -3.29 -0.22 0.00 -2.27 0.00 0.00 64.05 58.32 2qx9 n THR 158 Cb 0.46 -0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 67.84 2qx9 n THR 158 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qx9 s GLY 159 N -2.77 1.91 0.13 3.38 0.00 0.45 -5.06 107.32 105.35 2qx9 s GLY 159 Ca 0.50 -1.95 -0.24 0.00 0.00 0.00 0.00 44.72 43.03 2qx9 s GLY 159 CO 0.01 -1.85 1.65 -0.39 0.00 0.00 0.00 173.10 172.52 2qx9 h VAL 160 N 2.22 0.51 0.00 1.40 -1.51 -1.81 -2.84 116.25 114.22 2qx9 h VAL 160 Ca -0.40 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 2qx9 h VAL 160 Cb 1.24 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 2qx9 h VAL 160 CO 0.68 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.61 2qx9 n ASN 161 N -5.33 0.00 -0.45 4.19 3.02 -1.07 -5.02 115.26 110.58 2qx9 n ASN 161 Ca -0.04 0.08 0.06 0.00 -0.03 0.00 0.00 54.58 54.65 2qx9 n ASN 161 Cb 0.25 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 2qx9 n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qx9 n GLY 162 N 0.61 -2.67 3.67 7.41 0.00 -1.07 -4.78 105.19 108.36 2qx9 n GLY 162 Ca 0.09 -1.34 -0.45 0.00 0.00 0.00 0.00 46.02 44.32 2qx9 n GLY 162 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qx9 n ASP 163 N -2.83 3.03 0.26 1.61 2.03 -1.15 -2.82 116.55 116.68 2qx9 n ASP 163 Ca -0.03 1.10 0.11 0.00 0.52 0.00 0.00 54.79 56.50 2qx9 n ASP 163 Cb 0.21 -1.43 0.61 0.00 -0.72 0.00 0.00 41.12 39.79 2qx9 n ASP 163 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2qx9 h SER 164 N 5.42 0.00 0.03 1.67 4.64 -1.86 -0.43 113.55 123.02 2qx9 h SER 164 Ca -0.45 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 2qx9 h SER 164 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 2qx9 h SER 164 CO 0.85 0.00 -0.22 0.03 -0.87 0.00 0.00 176.83 176.62 2qx9 h ARG 165 N 0.00 0.33 -0.88 4.77 3.08 -1.87 -3.13 114.38 116.67 2qx9 h ARG 165 Ca 0.00 -0.10 0.12 0.00 0.07 0.00 0.00 59.98 60.07 2qx9 h ARG 165 Cb 0.62 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.57 2qx9 h ARG 165 CO 0.00 0.53 0.57 1.88 -1.07 0.00 0.00 179.97 181.88 2qx9 h TYR 166 N 0.30 0.86 -0.23 3.04 0.05 -1.18 -1.50 116.97 118.32 2qx9 h TYR 166 Ca 0.05 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.85 2qx9 h TYR 166 Cb 0.55 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.02 2qx9 h TYR 166 CO 0.01 0.35 0.00 1.97 -1.05 0.00 0.00 178.16 179.45 2qx9 n PHE 167 N -4.55 0.30 0.61 4.88 1.16 -1.18 -3.66 117.46 115.02 2qx9 n PHE 167 Ca 0.16 -0.15 0.12 0.00 -1.87 0.00 0.00 57.45 55.71 2qx9 n PHE 167 Cb 0.40 0.00 0.09 0.00 -1.61 0.00 0.00 39.48 38.36 2qx9 n PHE 167 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2qx9 n LEU 168 N 0.30 0.64 0.13 5.98 4.77 -0.56 -4.53 117.00 123.72 2qx9 n LEU 168 Ca 0.13 0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 56.02 2qx9 n LEU 168 Cb 0.28 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 2qx9 n LEU 168 CO 0.10 0.02 0.58 -0.25 -1.33 0.00 0.00 177.39 176.51 2qx9 h TRP 169 N 0.00 -1.21 -0.65 -1.77 2.91 -1.66 0.47 115.95 114.04 2qx9 h TRP 169 Ca 0.00 0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.12 2qx9 h TRP 169 Cb 0.71 0.51 -0.04 0.00 -0.51 0.00 0.00 29.16 29.83 2qx9 h TRP 169 CO 0.00 -0.53 0.43 -1.35 -1.03 0.00 0.00 178.44 175.96 2qx9 h PRO 170 N -0.68 0.59 0.06 2.65 0.11 -1.86 0.76 132.00 133.63 2qx9 h PRO 170 Ca 0.01 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 2qx9 h PRO 170 Cb 0.70 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.68 2qx9 h PRO 170 CO -0.23 0.39 -0.41 -0.07 -0.21 0.00 0.00 178.00 177.47 2qx9 h LEU 171 N 0.61 0.20 -0.01 2.35 3.38 -1.73 -1.81 115.31 118.30 2qx9 h LEU 171 Ca 0.28 -0.96 -0.09 0.00 0.09 0.00 0.00 57.88 57.20 2qx9 h LEU 171 Cb 0.33 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.02 2qx9 h LEU 171 CO -0.09 1.19 -0.36 1.56 0.09 0.00 0.00 178.44 180.83 2qx9 h GLN 172 N -0.73 0.26 0.00 1.13 4.20 0.08 -2.15 115.11 117.90 2qx9 h GLN 172 Ca -0.08 -0.27 -0.27 0.00 0.06 0.00 0.00 58.65 58.09 2qx9 h GLN 172 Cb 1.29 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 29.10 2qx9 h GLN 172 CO 0.05 0.97 -1.48 1.58 -0.67 0.00 0.00 178.83 179.29 2qx9 n HIS 173 N -4.41 0.88 0.23 2.96 -0.00 0.18 -1.36 115.22 113.69 2qx9 n HIS 173 Ca -0.10 0.37 0.06 0.00 0.46 0.00 0.00 57.72 58.51 2qx9 n HIS 173 Cb 0.55 -1.09 0.52 0.00 -0.12 0.00 0.00 29.99 29.86 2qx9 n HIS 173 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2qx9 h GLY 174 N -0.92 0.00 0.00 1.57 0.00 -1.10 -2.68 103.07 99.94 2qx9 h GLY 174 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2qx9 h GLY 174 CO -0.23 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.72 2qx9 n THR 175 N -4.17 0.00 -0.06 4.70 -1.04 -0.70 -4.47 114.28 108.54 2qx9 n THR 175 Ca -0.02 0.08 -0.11 0.00 -2.04 0.00 0.00 64.05 61.97 2qx9 n THR 175 Cb 0.27 -0.92 -0.05 0.00 -1.82 0.00 0.00 70.33 67.81 2qx9 n THR 175 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qx9 h LEU 176 N 0.00 -1.28 -0.48 -4.42 3.38 -1.47 -1.09 115.31 109.95 2qx9 h LEU 176 Ca 0.00 0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2qx9 h LEU 176 Cb 0.00 0.55 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2qx9 h LEU 176 CO 0.00 -0.38 0.11 -0.74 0.09 0.00 0.00 178.44 177.52 2qx9 h HIS 177 N -0.39 0.82 -0.73 1.13 2.76 -1.34 -0.73 115.15 116.66 2qx9 h HIS 177 Ca 0.11 -0.10 0.18 0.00 -2.20 0.00 0.00 60.37 58.37 2qx9 h HIS 177 Cb 0.59 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 2qx9 h HIS 177 CO -0.53 0.74 0.50 0.35 -1.30 0.00 0.00 177.93 177.69 2qx9 h PHE 178 N 0.66 0.21 -0.09 5.26 3.57 -1.10 0.19 116.94 125.64 2qx9 h PHE 178 Ca 0.15 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2qx9 h PHE 178 Cb 0.34 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2qx9 h PHE 178 CO 0.02 0.07 0.00 0.00 -2.23 0.00 0.00 178.31 176.17 2qx9 n GLY 180 N 1.22 0.59 3.73 0.00 0.00 0.66 -1.31 105.19 110.08 2qx9 n GLY 180 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2qx9 n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qx9 s PHE 181 N -2.29 2.13 -0.15 1.61 0.08 -0.41 -3.70 117.98 115.25 2qx9 s PHE 181 Ca 0.00 1.54 -0.14 0.00 0.12 0.00 0.00 56.93 58.45 2qx9 s PHE 181 Cb 0.00 -3.56 -0.05 0.00 -0.57 0.00 0.00 43.02 38.85 2qx9 s PHE 181 CO 0.00 -2.64 0.32 0.15 -0.10 0.00 0.00 175.22 172.95 2qx9 s LYS 182 N -3.60 4.26 -0.31 0.44 1.02 -0.33 -4.35 119.74 116.88 2qx9 s LYS 182 Ca 0.78 0.16 -0.14 0.00 0.02 0.00 0.00 55.97 56.79 2qx9 s LYS 182 Cb -0.32 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 2qx9 s LYS 182 CO 0.41 0.24 0.32 0.08 -0.92 0.00 0.00 175.35 175.47 2qx9 s VAL 183 N 0.46 5.21 0.74 3.17 1.01 -1.26 -1.93 120.40 127.80 2qx9 s VAL 183 Ca 0.18 0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.26 2qx9 s VAL 183 Cb -0.13 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.59 2qx9 s VAL 183 CO 0.05 0.06 1.10 -0.76 0.00 0.00 0.00 175.10 175.55 2qx9 s LEU 184 N 1.95 2.73 0.23 3.92 1.43 -0.69 0.76 118.68 129.01 2qx9 s LEU 184 Ca 0.11 0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 53.70 2qx9 s LEU 184 Cb -0.16 -3.42 -0.10 0.00 0.03 0.00 0.00 46.19 42.54 2qx9 s LEU 184 CO 0.11 -1.63 1.40 0.00 0.23 0.00 0.00 176.35 176.46 2qx9 s ALA 185 N -3.40 3.60 0.50 4.21 0.00 -1.26 -4.75 121.76 120.65 2qx9 s ALA 185 Ca 0.60 1.26 -0.21 0.00 0.00 0.00 0.00 51.96 53.61 2qx9 s ALA 185 Cb -0.11 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.41 2qx9 s ALA 185 CO 0.48 -0.68 1.10 -1.25 0.00 0.00 0.00 175.76 175.42 2qx9 s PRO 186 N -0.31 3.63 -0.31 0.00 0.04 -1.26 -4.75 135.00 132.03 2qx9 s PRO 186 Ca 0.58 1.56 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 2qx9 s PRO 186 Cb -0.40 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 2qx9 s PRO 186 CO 0.42 -0.61 0.21 -1.14 0.04 0.00 0.00 177.00 175.91 2qx9 s GLN 187 N -3.09 3.69 -0.30 4.56 2.00 0.44 -5.01 119.66 121.94 2qx9 s GLN 187 Ca 0.68 -0.50 0.03 0.00 -2.00 0.00 0.00 55.36 53.57 2qx9 s GLN 187 Cb -0.22 -3.71 0.08 0.00 0.80 0.00 0.00 33.01 29.96 2qx9 s GLN 187 CO 0.26 -0.32 -0.01 0.42 -0.50 0.00 0.00 175.29 175.15 2qx9 s ILE 188 N 1.73 2.05 -0.48 -2.34 1.01 -1.26 0.38 121.20 122.29 2qx9 s ILE 188 Ca 0.06 -1.94 -0.21 0.00 0.00 0.00 0.00 60.65 58.57 2qx9 s ILE 188 Cb -0.17 -2.39 0.04 0.00 0.01 0.00 0.00 42.46 39.95 2qx9 s ILE 188 CO 0.10 -0.38 0.71 -0.44 0.00 0.00 0.00 174.94 174.93 2qx9 s SER 189 N 1.07 6.31 0.49 3.58 0.01 0.23 -5.00 113.70 120.39 2qx9 s SER 189 Ca 0.03 -0.49 -0.19 0.00 1.31 0.00 0.00 55.95 56.61 2qx9 s SER 189 Cb -0.19 -2.34 -0.08 0.00 0.21 0.00 0.00 66.02 63.61 2qx9 s SER 189 CO -0.08 -0.91 1.00 -0.36 0.41 0.00 0.00 173.24 173.30 2qx9 s PHE 190 N 3.03 3.20 0.00 2.43 0.08 -1.26 -1.82 117.98 123.64 2qx9 s PHE 190 Ca 0.23 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.83 2qx9 s PHE 190 Cb -0.15 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.38 2qx9 s PHE 190 CO 0.17 -0.54 0.00 0.00 -0.10 0.00 0.00 175.22 174.76 2qx9 n ALA 191 N -1.17 -0.96 0.04 5.36 0.00 -0.08 -4.81 120.51 118.89 2qx9 n ALA 191 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.53 2qx9 n ALA 191 Cb 0.53 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.32 2qx9 n ALA 191 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2qx9 h PRO 192 N 2.87 0.43 0.00 0.00 0.13 -1.80 -0.90 132.00 132.73 2qx9 h PRO 192 Ca 0.00 -0.09 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 2qx9 h PRO 192 Cb 0.00 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.06 2qx9 h PRO 192 CO 0.00 0.48 -0.10 0.93 -0.23 0.00 0.00 178.00 179.08 2qx9 h GLU 193 N 0.42 0.00 0.01 0.86 5.08 -1.87 -3.20 114.58 115.87 2qx9 h GLU 193 Ca 0.09 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.15 2qx9 h GLU 193 Cb 0.31 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 2qx9 h GLU 193 CO 0.01 0.10 -1.63 -0.89 -1.00 0.00 0.00 179.01 175.59 2qx9 n ILE 194 N -3.50 1.55 -1.28 3.13 5.41 -0.74 -4.98 119.36 118.95 2qx9 n ILE 194 Ca -0.02 -0.16 -0.36 0.00 1.00 0.00 0.00 62.75 63.22 2qx9 n ILE 194 Cb 0.24 -1.98 0.07 0.00 -0.71 0.00 0.00 39.64 37.27 2qx9 n ILE 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qx9 n ALA 195 N -3.59 -1.23 -1.91 -1.39 0.00 -0.42 -4.99 120.51 106.98 2qx9 n ALA 195 Ca -0.38 -0.23 -0.29 0.00 0.00 0.00 0.00 53.44 52.54 2qx9 n ALA 195 Cb 0.76 -1.91 0.11 0.00 0.00 0.00 0.00 19.45 18.41 2qx9 n ALA 195 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2qx9 s SER 196 N -1.51 4.20 0.21 0.00 1.04 -1.26 -4.70 113.70 111.68 2qx9 s SER 196 Ca 0.67 0.66 -0.09 0.00 0.48 0.00 0.00 55.95 57.67 2qx9 s SER 196 Cb -0.35 -1.06 0.30 0.00 0.10 0.00 0.00 66.02 65.02 2qx9 s SER 196 CO 0.56 -2.08 1.73 -0.33 0.98 0.00 0.00 173.24 174.10 2qx9 h GLU 197 N -1.18 0.37 -0.86 4.02 4.39 -1.96 0.43 114.58 119.79 2qx9 h GLU 197 Ca -0.46 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2qx9 h GLU 197 Cb 1.31 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2qx9 h GLU 197 CO 0.60 0.25 0.00 0.39 -1.16 0.00 0.00 179.01 179.08 2qx9 n GLU 198 N -5.02 0.56 0.03 2.33 -0.58 -1.26 -1.45 120.64 115.26 2qx9 n GLU 198 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 2qx9 n GLU 198 Cb 0.30 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 2qx9 n GLU 198 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2qx9 n GLU 199 N 0.39 0.00 0.33 3.49 1.02 -0.02 -4.48 120.64 121.37 2qx9 n GLU 199 Ca 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 57.16 57.35 2qx9 n GLU 199 Cb 0.19 -0.12 1.15 0.00 -0.02 0.00 0.00 31.44 32.64 2qx9 n GLU 199 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qx9 h ARG 200 N 0.00 0.00 0.00 3.49 3.08 -0.89 0.29 114.38 120.35 2qx9 h ARG 200 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qx9 h ARG 200 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2qx9 h ARG 200 CO 0.00 0.00 -1.28 1.63 -1.07 0.00 0.00 179.97 179.26 2qx9 n LYS 201 N -3.21 0.56 0.06 0.04 4.76 -0.53 -3.42 118.16 116.43 2qx9 n LYS 201 Ca -0.03 0.01 -0.15 0.00 -2.87 0.00 0.00 58.31 55.27 2qx9 n LYS 201 Cb 0.08 -1.70 -0.14 0.00 -1.84 0.00 0.00 35.03 31.44 2qx9 n LYS 201 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2qx9 h GLY 202 N 4.11 0.25 0.78 0.72 0.00 -0.79 -2.89 103.07 105.24 2qx9 h GLY 202 Ca 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 2qx9 h GLY 202 CO 0.00 0.56 -0.02 -0.33 0.00 0.00 0.00 176.54 176.75 2qx9 h MET 203 N 0.06 -0.05 -0.29 4.80 2.86 -0.89 -1.36 114.93 120.05 2qx9 h MET 203 Ca -0.21 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.50 2qx9 h MET 203 Cb 1.99 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 33.60 2qx9 h MET 203 CO 0.16 0.17 -0.11 0.28 1.06 0.00 0.00 176.91 178.47 2qx9 h VAL 204 N -0.27 0.62 -0.51 -2.22 2.07 -1.67 0.33 116.25 114.59 2qx9 h VAL 204 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 2qx9 h VAL 204 Cb 0.25 0.62 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 2qx9 h VAL 204 CO 0.01 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.50 2qx9 h ALA 205 N 1.20 0.38 -0.56 1.67 0.00 -1.35 0.37 119.26 120.96 2qx9 h ALA 205 Ca 0.15 0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.32 2qx9 h ALA 205 Cb 0.28 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2qx9 h ALA 205 CO -0.33 -0.43 0.23 0.00 0.00 0.00 0.00 179.25 178.72 2qx9 h ALA 206 N 1.50 0.72 0.35 0.00 0.00 0.04 0.90 119.26 122.77 2qx9 h ALA 206 Ca 0.25 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2qx9 h ALA 206 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2qx9 h ALA 206 CO -0.50 -0.15 -0.17 2.35 0.00 0.00 0.00 179.25 180.77 2qx9 h TRP 207 N 0.44 -0.44 0.53 0.00 -0.00 0.10 0.33 115.95 116.91 2qx9 h TRP 207 Ca 0.27 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 59.13 2qx9 h TRP 207 Cb 0.27 0.15 -0.02 0.00 -0.00 0.00 0.00 29.16 29.56 2qx9 h TRP 207 CO -0.14 -0.26 -0.46 1.03 -0.00 0.00 0.00 178.44 178.61 2qx9 h SER 208 N -0.50 -1.24 -0.95 2.65 0.87 0.27 0.21 113.55 114.85 2qx9 h SER 208 Ca -0.05 0.09 0.18 0.00 -1.23 0.00 0.00 61.79 60.78 2qx9 h SER 208 Cb 0.38 0.40 -0.08 0.00 -0.44 0.00 0.00 62.40 62.65 2qx9 h SER 208 CO 0.08 -0.63 0.60 -0.61 -0.53 0.00 0.00 176.83 175.74 2qx9 h GLN 209 N -0.97 0.63 -0.53 2.24 5.75 0.85 0.60 115.11 123.67 2qx9 h GLN 209 Ca -0.07 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.29 2qx9 h GLN 209 Cb 0.82 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.21 2qx9 h GLN 209 CO -0.02 0.42 -0.08 -0.09 -2.65 0.00 0.00 178.83 176.41 2qx9 h ARG 210 N 0.65 0.99 0.00 1.69 2.43 0.50 -2.54 114.38 118.10 2qx9 h ARG 210 Ca 0.51 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2qx9 h ARG 210 Cb 0.93 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2qx9 h ARG 210 CO -0.27 1.03 -0.04 -0.07 -1.51 0.00 0.00 179.97 179.11 2qx9 h LEU 211 N 0.86 0.00 -2.55 3.80 3.38 0.17 -2.47 115.31 118.50 2qx9 h LEU 211 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2qx9 h LEU 211 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2qx9 h LEU 211 CO 0.04 0.04 -0.01 1.56 0.09 0.00 0.00 178.44 180.16 2qx9 h GLN 212 N 0.00 0.00 0.00 1.13 4.20 -0.93 -2.86 115.11 116.64 2qx9 h GLN 212 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qx9 h GLN 212 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2qx9 h GLN 212 CO 0.01 0.01 -0.03 0.25 -0.67 0.00 0.00 178.83 178.40 2qx9 n THR 213 N -3.54 0.72 -0.33 -0.54 -2.24 -0.95 -4.86 114.28 102.55 2qx9 n THR 213 Ca -0.03 -0.76 0.26 0.00 -2.27 0.00 0.00 64.05 61.25 2qx9 n THR 213 Cb 0.10 0.58 0.49 0.00 -2.10 0.00 0.00 70.33 69.41 2qx9 n THR 213 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2qx9 h ILE 214 N 1.31 0.02 0.00 2.28 6.09 -1.26 1.19 117.51 127.14 2qx9 h ILE 214 Ca 0.00 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.48 2qx9 h ILE 214 Cb 0.75 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.04 2qx9 h ILE 214 CO 0.00 0.00 0.00 0.79 -3.07 0.00 0.00 178.15 175.87 2qx9 n TRP 215 N -5.32 0.00 0.10 2.19 7.02 -1.26 -2.16 117.44 118.00 2qx9 n TRP 215 Ca 0.33 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.81 2qx9 n TRP 215 Cb 1.11 -0.38 -0.03 0.00 -2.42 0.00 0.00 31.31 29.60 2qx9 n TRP 215 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 2qx9 h LYS 216 N 0.00 0.00 -7.24 -0.99 3.64 0.11 -3.48 116.57 108.61 2qx9 h LYS 216 Ca 0.00 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.86 2qx9 h LYS 216 Cb 0.20 0.00 0.14 0.00 -0.41 0.00 0.00 32.23 32.16 2qx9 h LYS 216 CO 0.00 0.52 0.33 -1.21 -2.27 0.00 0.00 179.45 176.82 2qx9 s GLU 217 N -2.91 2.16 0.11 1.90 2.02 -0.92 -5.08 118.70 115.98 2qx9 s GLU 217 Ca 0.02 1.42 0.09 0.00 0.02 0.00 0.00 54.97 56.52 2qx9 s GLU 217 Cb 0.08 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.40 2qx9 s GLU 217 CO 0.77 -1.75 -0.18 -1.21 0.02 0.00 0.00 175.26 172.92 2qx9 s GLU 218 N -4.42 1.83 0.83 1.61 0.41 -1.26 -5.12 118.70 112.58 2qx9 s GLU 218 Ca 0.67 -1.15 -0.11 0.00 -0.41 0.00 0.00 54.97 53.97 2qx9 s GLU 218 Cb -0.22 -2.13 0.09 0.00 -1.78 0.00 0.00 34.13 30.09 2qx9 s GLU 218 CO 0.50 0.49 1.10 -1.25 -0.49 0.00 0.00 175.26 175.61 2qx9 s PRO 219 N -2.06 1.81 0.47 0.39 0.04 -1.26 -4.67 135.00 129.72 2qx9 s PRO 219 Ca 0.18 1.16 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 2qx9 s PRO 219 Cb -0.11 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 2qx9 s PRO 219 CO 0.10 -1.95 0.74 0.96 0.04 0.00 0.00 177.00 176.88 2qx9 s ILE 220 N -2.86 4.53 -0.62 0.56 -4.36 0.23 -4.96 121.20 113.73 2qx9 s ILE 220 Ca 0.63 -0.10 -0.24 0.00 -0.26 0.00 0.00 60.65 60.68 2qx9 s ILE 220 Cb -0.18 -3.71 0.05 0.00 1.25 0.00 0.00 42.46 39.87 2qx9 s ILE 220 CO 0.57 -0.62 0.98 -2.16 0.24 0.00 0.00 174.94 173.94 2qx9 s PRO 221 N -4.67 3.22 -1.22 0.37 0.04 -1.26 -4.60 135.00 126.86 2qx9 s PRO 221 Ca 0.47 -0.52 -0.21 0.00 0.04 0.00 0.00 61.00 60.79 2qx9 s PRO 221 Cb -0.10 -4.14 -0.03 0.00 0.04 0.00 0.00 34.50 30.27 2qx9 s PRO 221 CO 0.42 -1.69 1.86 0.00 0.04 0.00 0.00 177.00 177.63 2qx9 s THR 223 N 8.57 1.12 0.28 0.00 -4.23 -1.26 -4.95 115.64 115.16 2qx9 s THR 223 Ca 0.63 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.10 2qx9 s THR 223 Cb 0.01 -2.51 0.12 0.00 1.34 0.00 0.00 72.50 71.46 2qx9 s THR 223 CO 0.11 -0.20 1.79 0.00 -0.54 0.00 0.00 174.62 175.78 2qx9 h ALA 224 N 2.34 1.16 -0.56 3.99 0.00 -1.95 -2.03 119.26 122.21 2qx9 h ALA 224 Ca -0.39 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 2qx9 h ALA 224 Cb 1.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2qx9 h ALA 224 CO 0.66 0.54 0.20 1.25 0.00 0.00 0.00 179.25 181.90 2qx9 h HIS 225 N 0.70 0.88 -0.84 0.00 -0.00 -1.93 0.54 115.15 114.50 2qx9 h HIS 225 Ca 0.14 -0.08 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 2qx9 h HIS 225 Cb 0.42 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 27.53 2qx9 h HIS 225 CO 0.02 0.73 0.52 2.35 -0.00 0.00 0.00 177.93 181.55 2qx9 h TRP 226 N 0.78 1.09 0.10 5.26 7.01 -1.72 0.27 115.95 128.74 2qx9 h TRP 226 Ca 0.18 0.00 -0.15 0.00 2.11 0.00 0.00 58.89 61.04 2qx9 h TRP 226 Cb 0.24 -0.36 0.02 0.00 -2.10 0.00 0.00 29.16 26.96 2qx9 h TRP 226 CO 0.01 0.72 -0.64 0.45 -2.79 0.00 0.00 178.44 176.19 2qx9 h HIS 227 N 1.15 0.45 -0.25 2.65 3.86 -0.93 -3.39 115.15 118.69 2qx9 h HIS 227 Ca 0.30 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2qx9 h HIS 227 Cb -0.07 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.38 2qx9 h HIS 227 CO -0.01 1.23 0.00 1.19 0.86 0.00 0.00 177.93 181.21 2qx9 n PHE 228 N -4.23 0.48 0.00 2.45 3.72 0.19 -3.89 117.46 116.18 2qx9 n PHE 228 Ca -0.13 -0.63 0.00 0.00 -0.05 0.00 0.00 57.45 56.65 2qx9 n PHE 228 Cb 0.74 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 2qx9 n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qx9 n GLY 229 N -0.02 3.80 0.00 1.37 0.00 0.95 -4.94 105.19 106.34 2qx9 n GLY 229 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2qx9 n GLY 229 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14