#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qex s HIS 2 N 0.00 2.92 -0.21 1.12 3.76 0.19 -4.45 115.29 118.62 2qex s HIS 2 Ca 0.00 -0.16 -0.04 0.00 -0.15 0.00 0.00 55.06 54.72 2qex s HIS 2 Cb 0.00 -1.32 -0.01 0.00 1.11 0.00 0.00 32.58 32.36 2qex s HIS 2 CO 0.00 0.56 -0.05 0.00 -0.85 0.00 0.00 174.74 174.41 2qex s ALA 3 N -2.17 2.81 -0.18 -1.40 0.00 0.39 -0.49 121.76 120.73 2qex s ALA 3 Ca 0.32 -1.13 -0.10 0.00 0.00 0.00 0.00 51.96 51.05 2qex s ALA 3 Cb -0.07 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.33 2qex s ALA 3 CO 0.22 -0.36 0.14 -0.51 0.00 0.00 0.00 175.76 175.25 2qex s LEU 4 N 1.36 4.25 -0.09 0.00 1.43 0.62 -3.25 118.68 122.99 2qex s LEU 4 Ca 0.04 0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 53.43 2qex s LEU 4 Cb -0.14 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 44.00 2qex s LEU 4 CO -0.02 0.22 -0.05 -0.69 0.23 0.00 0.00 176.35 176.04 2qex s VAL 5 N 0.08 0.78 -0.16 -1.59 1.01 -0.53 -0.99 120.40 119.01 2qex s VAL 5 Ca 0.10 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 2qex s VAL 5 Cb -0.11 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 2qex s VAL 5 CO -0.01 0.32 1.27 -1.58 0.00 0.00 0.00 175.10 175.10 2qex s GLN 6 N 1.60 4.24 -0.00 2.72 0.74 -0.89 -1.80 119.66 126.26 2qex s GLN 6 Ca 0.01 1.67 0.06 0.00 0.05 0.00 0.00 55.36 57.16 2qex s GLN 6 Cb -0.13 -3.76 -0.07 0.00 1.10 0.00 0.00 33.01 30.15 2qex s GLN 6 CO -0.05 -0.70 0.21 1.28 -0.55 0.00 0.00 175.29 175.48 2qex n LEU 7 N 6.56 0.18 -4.28 3.68 4.77 -0.95 -0.64 117.00 126.32 2qex n LEU 7 Ca 0.14 -0.33 -0.29 0.00 -0.03 0.00 0.00 56.01 55.50 2qex n LEU 7 Cb 0.45 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.38 2qex n LEU 7 CO 0.56 0.05 -0.55 -0.13 -1.33 0.00 0.00 177.39 175.98 2qex s ARG 8 N -1.84 1.89 1.06 3.23 0.52 -1.17 -4.95 118.95 117.69 2qex s ARG 8 Ca 0.01 -0.87 -0.12 0.00 -0.52 0.00 0.00 55.73 54.22 2qex s ARG 8 Cb 0.04 -1.85 0.22 0.00 0.52 0.00 0.00 34.95 33.88 2qex s ARG 8 CO 0.24 0.51 1.07 0.20 0.02 0.00 0.00 175.30 177.33 2qex s GLY 9 N -0.63 1.57 0.11 -3.53 0.00 -1.26 -4.90 107.32 98.67 2qex s GLY 9 Ca 0.09 -0.17 0.06 0.00 0.00 0.00 0.00 44.72 44.71 2qex s GLY 9 CO -0.01 0.47 1.23 1.05 0.00 0.00 0.00 173.10 175.84 2qex h GLU 10 N -2.19 0.02 -6.44 2.90 4.11 -1.98 -3.43 114.58 107.58 2qex h GLU 10 Ca -0.57 -0.04 -0.55 0.00 0.07 0.00 0.00 59.36 58.28 2qex h GLU 10 Cb 1.32 0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.62 2qex h GLU 10 CO 0.53 0.98 1.10 0.28 0.07 0.00 0.00 179.01 181.98 2qex n VAL 11 N -3.34 0.45 -1.00 -1.06 0.31 -1.26 -0.90 118.33 111.53 2qex n VAL 11 Ca -0.02 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2qex n VAL 11 Cb 0.95 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 2qex n VAL 11 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2qex n ASN 12 N 5.96 -1.99 -4.77 4.52 3.02 -1.26 -5.03 115.26 115.71 2qex n ASN 12 Ca 0.19 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.35 2qex n ASN 12 Cb 0.36 -0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 2qex n ASN 12 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2qex s MET 13 N -0.04 4.58 0.29 3.52 1.75 -0.08 -5.00 119.30 124.32 2qex s MET 13 Ca 0.00 1.17 -0.29 0.00 -1.25 0.00 0.00 55.69 55.32 2qex s MET 13 Cb 0.00 -3.28 -0.13 0.00 2.84 0.00 0.00 34.83 34.26 2qex s MET 13 CO 0.00 0.53 1.29 0.72 -0.65 0.00 0.00 175.02 176.91 2qex n HIS 14 N 1.75 2.07 -0.20 4.11 8.25 -1.26 -4.82 115.22 125.12 2qex n HIS 14 Ca -0.05 0.53 -0.02 0.00 -0.26 0.00 0.00 57.72 57.92 2qex n HIS 14 Cb 0.49 -2.41 0.08 0.00 1.12 0.00 0.00 29.99 29.27 2qex n HIS 14 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2qex h THR 15 N 2.66 0.92 0.00 1.59 2.02 -1.97 -1.66 112.91 116.47 2qex h THR 15 Ca -0.45 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 2qex h THR 15 Cb 1.29 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2qex h THR 15 CO 0.67 0.10 -0.18 -2.24 0.37 0.00 0.00 175.52 174.24 2qex h ASP 16 N 0.55 0.00 0.20 4.18 2.03 -1.99 -1.54 116.42 119.85 2qex h ASP 16 Ca 0.27 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 56.30 2qex h ASP 16 Cb 0.21 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.73 2qex h ASP 16 CO -0.20 0.18 -1.12 0.40 -1.03 0.00 0.00 179.24 177.47 2qex h ILE 17 N 0.00 1.33 -0.01 4.15 2.04 -1.76 -3.06 117.51 120.20 2qex h ILE 17 Ca -0.00 -2.46 -0.13 0.00 1.00 0.00 0.00 64.86 63.27 2qex h ILE 17 Cb 0.57 2.56 -0.02 0.00 -0.74 0.00 0.00 36.82 39.20 2qex h ILE 17 CO 0.02 0.74 -0.60 -0.61 0.00 0.00 0.00 178.15 177.70 2qex h GLN 18 N 0.28 0.05 0.00 2.37 4.15 -0.98 -2.86 115.11 118.11 2qex h GLN 18 Ca -0.14 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.20 2qex h GLN 18 Cb 1.78 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.47 2qex h GLN 18 CO 0.21 0.63 -0.23 -0.44 -1.93 0.00 0.00 178.83 177.07 2qex h ASP 19 N 0.03 0.00 -0.12 -0.69 3.32 -1.33 -2.59 116.42 115.04 2qex h ASP 19 Ca -0.01 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 2qex h ASP 19 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2qex h ASP 19 CO 0.08 0.23 -0.42 0.74 -1.72 0.00 0.00 179.24 178.15 2qex h THR 20 N 0.00 1.37 -0.68 0.35 2.02 -1.40 -1.88 112.91 112.68 2qex h THR 20 Ca -0.00 -1.73 0.04 0.00 0.77 0.00 0.00 66.41 65.48 2qex h THR 20 Cb 0.90 2.13 -0.04 0.00 -1.74 0.00 0.00 68.15 69.40 2qex h THR 20 CO 0.03 0.52 0.45 -0.07 0.37 0.00 0.00 175.52 176.82 2qex h LEU 21 N 0.10 0.70 -0.53 2.58 3.38 -1.36 -0.85 115.31 119.34 2qex h LEU 21 Ca -0.02 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2qex h LEU 21 Cb 1.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2qex h LEU 21 CO 0.09 0.48 -0.65 -0.33 0.09 0.00 0.00 178.44 178.12 2qex h GLU 22 N 0.81 0.35 -0.03 1.13 5.08 -1.37 -0.47 114.58 120.08 2qex h GLU 22 Ca 0.27 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 2qex h GLU 22 Cb 0.08 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2qex h GLU 22 CO -0.08 0.88 -0.44 0.52 -1.00 0.00 0.00 179.01 178.89 2qex h MET 23 N 0.25 0.06 -0.66 2.33 2.86 -0.36 -2.01 114.93 117.40 2qex h MET 23 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2qex h MET 23 Cb 1.19 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 2qex h MET 23 CO 0.11 0.50 0.00 1.28 1.06 0.00 0.00 176.91 179.85 2qex n LEU 24 N -4.01 2.08 -1.33 1.22 4.77 -0.45 -4.90 117.00 114.38 2qex n LEU 24 Ca -0.02 -1.05 -0.15 0.00 -0.03 0.00 0.00 56.01 54.77 2qex n LEU 24 Cb 0.48 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 2qex n LEU 24 CO 0.40 0.35 -0.16 0.59 -1.33 0.00 0.00 177.39 177.24 2qex n ASN 25 N 0.19 -4.68 -4.29 -1.43 3.02 -0.76 -4.91 115.26 102.41 2qex n ASN 25 Ca 0.08 0.23 -0.33 0.00 -0.03 0.00 0.00 54.58 54.53 2qex n ASN 25 Cb 0.43 -3.60 -0.15 0.00 -0.61 0.00 0.00 39.78 35.85 2qex n ASN 25 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2qex s ILE 26 N -2.62 2.81 0.00 2.41 -4.36 -0.20 -4.68 121.20 114.55 2qex s ILE 26 Ca 0.00 -0.73 0.00 0.00 -0.26 0.00 0.00 60.65 59.66 2qex s ILE 26 Cb 0.00 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.52 2qex s ILE 26 CO 0.00 0.51 0.16 1.41 0.24 0.00 0.00 174.94 177.26 2qex n HIS 27 N 3.98 0.00 -4.14 1.37 8.25 -1.26 -3.54 115.22 119.88 2qex n HIS 27 Ca -0.19 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.18 2qex n HIS 27 Cb 0.52 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.53 2qex n HIS 27 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2qex s HIS 28 N -0.60 0.82 0.34 4.41 3.76 -1.26 -5.09 115.29 117.67 2qex s HIS 28 Ca 0.00 -1.18 -0.28 0.00 -0.15 0.00 0.00 55.06 53.44 2qex s HIS 28 Cb 0.00 -0.48 -0.10 0.00 1.11 0.00 0.00 32.58 33.11 2qex s HIS 28 CO 0.00 -0.47 1.27 0.08 -0.85 0.00 0.00 174.74 174.78 2qex s VAL 29 N -3.99 2.82 0.00 -0.90 1.01 -1.26 -2.80 120.40 115.29 2qex s VAL 29 Ca 0.21 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.00 2qex s VAL 29 Cb 0.07 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2qex s VAL 29 CO -0.00 0.18 0.00 0.59 0.00 0.00 0.00 175.10 175.86 2qex n ASN 30 N 0.72 -2.66 -4.76 3.32 3.02 0.19 -4.97 115.26 110.12 2qex n ASN 30 Ca 0.01 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 2qex n ASN 30 Cb 0.43 -0.54 -0.06 0.00 -0.61 0.00 0.00 39.78 39.00 2qex n ASN 30 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2qex s HIS 31 N -2.24 3.64 0.28 3.10 3.76 -1.12 -2.20 115.29 120.52 2qex s HIS 31 Ca 0.00 1.10 0.08 0.00 -0.15 0.00 0.00 55.06 56.09 2qex s HIS 31 Cb 0.00 -2.56 -0.04 0.00 1.11 0.00 0.00 32.58 31.09 2qex s HIS 31 CO 0.00 0.34 0.11 0.00 -0.85 0.00 0.00 174.74 174.33 2qex s THR 33 N -2.29 0.02 -0.18 0.00 -1.32 -0.16 -1.52 115.64 110.19 2qex s THR 33 Ca 0.34 -0.14 -0.04 0.00 -1.21 0.00 0.00 61.69 60.64 2qex s THR 33 Cb -0.06 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.90 2qex s THR 33 CO 0.22 -0.08 -0.03 -0.76 -2.21 0.00 0.00 174.62 171.76 2qex s LEU 34 N -2.19 3.17 -0.04 9.08 1.43 -1.26 -0.28 118.68 128.58 2qex s LEU 34 Ca -0.03 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 2qex s LEU 34 Cb -0.00 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.44 2qex s LEU 34 CO -0.05 0.11 -0.11 0.54 0.23 0.00 0.00 176.35 177.07 2qex s VAL 35 N 0.70 1.02 0.52 -1.59 0.11 0.36 -4.98 120.40 116.54 2qex s VAL 35 Ca -0.02 -0.46 -0.21 0.00 -2.93 0.00 0.00 61.98 58.36 2qex s VAL 35 Cb -0.14 -0.91 -0.06 0.00 -1.53 0.00 0.00 36.38 33.74 2qex s VAL 35 CO 0.02 0.31 1.18 -2.84 -3.33 0.00 0.00 175.10 170.44 2qex s PRO 36 N 0.34 3.41 -0.74 1.54 0.02 -1.26 -0.64 135.00 137.68 2qex s PRO 36 Ca -0.07 1.77 -0.21 0.00 0.02 0.00 0.00 61.00 62.51 2qex s PRO 36 Cb -0.12 -2.16 0.09 0.00 0.02 0.00 0.00 34.50 32.33 2qex s PRO 36 CO 0.02 -0.84 0.98 -1.21 -0.33 0.00 0.00 177.00 175.62 2qex s GLU 37 N -3.04 3.26 0.29 5.54 2.02 -1.26 -4.75 118.70 120.76 2qex s GLU 37 Ca 0.70 -1.20 0.04 0.00 0.02 0.00 0.00 54.97 54.54 2qex s GLU 37 Cb -0.28 -4.46 -0.06 0.00 0.10 0.00 0.00 34.13 29.43 2qex s GLU 37 CO 0.33 -1.77 0.01 0.99 0.02 0.00 0.00 175.26 174.85 2qex s THR 38 N 3.43 1.27 0.16 3.63 2.01 -1.26 -4.94 115.64 119.95 2qex s THR 38 Ca 0.24 -2.04 -0.15 0.00 0.31 0.00 0.00 61.69 60.05 2qex s THR 38 Cb -0.14 -2.61 0.04 0.00 0.01 0.00 0.00 72.50 69.80 2qex s THR 38 CO 0.03 -0.15 1.82 0.44 -0.69 0.00 0.00 174.62 176.07 2qex h ASP 39 N 2.23 0.49 0.11 3.53 3.32 -1.99 0.46 116.42 124.57 2qex h ASP 39 Ca -0.40 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 2qex h ASP 39 Cb 1.24 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2qex h ASP 39 CO 0.68 0.35 -0.05 0.00 -1.72 0.00 0.00 179.24 178.50 2qex h ALA 40 N 1.18 -0.15 -0.09 3.45 0.00 -1.97 -2.59 119.26 119.09 2qex h ALA 40 Ca 0.18 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2qex h ALA 40 Cb -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2qex h ALA 40 CO -0.06 -0.48 -0.12 1.88 0.00 0.00 0.00 179.25 180.47 2qex h TYR 41 N -0.36 0.14 -0.17 0.00 -1.99 -1.83 -2.43 116.97 110.33 2qex h TYR 41 Ca -0.02 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.61 2qex h TYR 41 Cb 0.29 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 2qex h TYR 41 CO -0.01 0.26 -0.29 -0.09 -0.00 0.00 0.00 178.16 178.03 2qex h ARG 42 N 0.14 0.33 -0.51 4.88 2.43 -0.70 -2.77 114.38 118.18 2qex h ARG 42 Ca 0.03 -0.13 -0.13 0.00 -0.81 0.00 0.00 59.98 58.94 2qex h ARG 42 Cb 0.30 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2qex h ARG 42 CO 0.02 0.60 -0.18 0.78 -1.51 0.00 0.00 179.97 179.68 2qex h GLY 43 N 1.05 1.11 1.51 2.80 0.00 -1.05 -2.91 103.07 105.57 2qex h GLY 43 Ca 0.04 -0.95 -0.07 0.00 0.00 0.00 0.00 47.33 46.35 2qex h GLY 43 CO 0.05 0.87 -0.06 -0.33 0.00 0.00 0.00 176.54 177.07 2qex h MET 44 N 0.89 0.60 0.00 4.80 2.86 -1.35 -2.91 114.93 119.82 2qex h MET 44 Ca 0.12 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2qex h MET 44 Cb 0.76 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2qex h MET 44 CO 0.06 0.67 -0.27 -0.39 1.06 0.00 0.00 176.91 178.04 2qex h VAL 45 N 0.56 0.00 -0.06 -2.22 -1.51 -1.47 -3.06 116.25 108.48 2qex h VAL 45 Ca 0.11 -0.84 -0.21 0.00 -1.23 0.00 0.00 66.70 64.54 2qex h VAL 45 Cb 0.45 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 2qex h VAL 45 CO 0.02 0.00 -0.81 0.00 -1.23 0.00 0.00 177.57 175.55 2qex h ALA 46 N 2.16 0.46 -0.20 5.19 0.00 -1.33 -1.23 119.26 124.32 2qex h ALA 46 Ca 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 2qex h ALA 46 Cb 0.92 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2qex h ALA 46 CO 0.00 0.76 -0.42 -0.22 0.00 0.00 0.00 179.25 179.37 2qex h LYS 47 N 0.31 0.48 0.00 0.00 3.64 -1.55 -2.92 116.57 116.53 2qex h LYS 47 Ca -0.05 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2qex h LYS 47 Cb 1.42 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 2qex h LYS 47 CO 0.15 0.82 -0.34 0.28 -2.27 0.00 0.00 179.45 178.08 2qex n VAL 48 N -4.02 0.06 -0.17 2.00 0.31 -1.16 -4.61 118.33 110.75 2qex n VAL 48 Ca -0.02 -0.04 0.03 0.00 -0.01 0.00 0.00 64.34 64.30 2qex n VAL 48 Cb 0.52 -0.05 0.07 0.00 -0.91 0.00 0.00 33.84 33.47 2qex n VAL 48 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2qex n ASN 49 N -1.60 -0.16 -0.16 4.52 2.85 -0.47 -0.91 115.26 119.33 2qex n ASN 49 Ca 0.06 0.82 0.01 0.00 -0.11 0.00 0.00 54.58 55.36 2qex n ASN 49 Cb 0.35 -0.25 0.04 0.00 1.24 0.00 0.00 39.78 41.16 2qex n ASN 49 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2qex n ASP 50 N -4.76 0.45 0.00 1.20 8.00 -1.26 -3.16 116.55 117.01 2qex n ASP 50 Ca 0.08 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.58 2qex n ASP 50 Cb 0.25 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 2qex n ASP 50 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2qex n PHE 51 N -0.26 0.00 -4.48 1.24 3.01 -0.09 -4.95 117.46 111.94 2qex n PHE 51 Ca 0.03 -0.05 -0.25 0.00 1.01 0.00 0.00 57.45 58.19 2qex n PHE 51 Cb 0.07 -0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.46 2qex n PHE 51 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2qex s VAL 52 N -0.10 0.39 -0.03 -4.37 0.11 -1.19 -2.25 120.40 112.96 2qex s VAL 52 Ca 0.00 -2.00 -0.01 0.00 -2.93 0.00 0.00 61.98 57.04 2qex s VAL 52 Cb 0.00 -2.32 0.03 0.00 -1.53 0.00 0.00 36.38 32.56 2qex s VAL 52 CO 0.00 0.00 0.03 0.00 -3.33 0.00 0.00 175.10 171.80 2qex s ALA 53 N -3.21 0.24 0.13 1.54 0.00 -0.74 -1.09 121.76 118.61 2qex s ALA 53 Ca 0.26 0.20 -0.04 0.00 0.00 0.00 0.00 51.96 52.38 2qex s ALA 53 Cb 0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 2qex s ALA 53 CO 0.18 -0.23 0.13 -0.59 0.00 0.00 0.00 175.76 175.24 2qex s PHE 54 N 1.44 0.63 0.00 0.00 -0.12 -0.86 -1.45 117.98 117.62 2qex s PHE 54 Ca -0.04 -1.03 0.00 0.00 -0.05 0.00 0.00 56.93 55.81 2qex s PHE 54 Cb -0.13 -0.31 0.00 0.00 -0.63 0.00 0.00 43.02 41.95 2qex s PHE 54 CO -0.03 -0.57 0.00 0.41 -0.05 0.00 0.00 175.22 174.99 2qex n GLY 55 N -0.10 0.07 3.57 1.99 0.00 -1.20 0.37 105.19 109.89 2qex n GLY 55 Ca -0.08 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 2qex n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qex s GLU 56 N -2.00 3.73 0.54 1.61 2.12 -1.26 -0.46 118.70 122.98 2qex s GLU 56 Ca 0.00 -0.09 -0.15 0.00 0.36 0.00 0.00 54.97 55.09 2qex s GLU 56 Cb 0.00 -3.76 -0.07 0.00 0.26 0.00 0.00 34.13 30.56 2qex s GLU 56 CO 0.00 -0.54 0.99 -1.25 -0.54 0.00 0.00 175.26 173.92 2qex s PRO 57 N 2.29 3.85 0.65 4.30 0.04 -1.26 -4.32 135.00 140.55 2qex s PRO 57 Ca 0.18 0.88 -0.12 0.00 0.04 0.00 0.00 61.00 61.98 2qex s PRO 57 Cb -0.16 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.24 2qex s PRO 57 CO 0.12 -0.34 1.05 -1.54 0.04 0.00 0.00 177.00 176.33 2qex s SER 58 N -3.37 5.71 0.18 6.66 1.04 -1.26 -4.89 113.70 117.77 2qex s SER 58 Ca 0.58 1.60 -0.14 0.00 0.48 0.00 0.00 55.95 58.47 2qex s SER 58 Cb -0.10 -2.50 0.18 0.00 0.10 0.00 0.00 66.02 63.70 2qex s SER 58 CO 0.37 -1.22 1.69 -0.61 0.98 0.00 0.00 173.24 174.45 2qex h GLN 59 N -0.35 0.12 0.80 4.02 5.75 -1.97 -2.26 115.11 121.22 2qex h GLN 59 Ca -0.44 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.01 2qex h GLN 59 Cb 1.21 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.73 2qex h GLN 59 CO 0.58 0.08 -0.47 0.93 -2.65 0.00 0.00 178.83 177.30 2qex h GLU 60 N 0.12 -1.14 -0.69 1.69 5.08 -1.99 -2.39 114.58 115.26 2qex h GLU 60 Ca 0.24 0.08 0.15 0.00 -1.00 0.00 0.00 59.36 58.83 2qex h GLU 60 Cb 0.36 0.26 -0.12 0.00 0.50 0.00 0.00 28.75 29.75 2qex h GLU 60 CO -0.40 -0.76 -0.08 1.15 -1.00 0.00 0.00 179.01 177.92 2qex h THR 61 N -1.18 0.36 -0.92 1.13 2.02 -1.93 0.30 112.91 112.70 2qex h THR 61 Ca -0.11 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.08 2qex h THR 61 Cb 0.94 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 2qex h THR 61 CO 0.13 0.01 0.60 0.25 0.37 0.00 0.00 175.52 176.88 2qex h LEU 62 N 0.05 1.00 -0.79 2.58 5.85 -1.35 -1.36 115.31 121.30 2qex h LEU 62 Ca 0.35 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 2qex h LEU 62 Cb 0.58 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2qex h LEU 62 CO -0.65 0.70 0.32 -0.33 -0.34 0.00 0.00 178.44 178.14 2qex h GLU 63 N 1.17 1.18 0.06 1.25 5.08 0.07 -0.47 114.58 122.90 2qex h GLU 63 Ca 0.36 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2qex h GLU 63 Cb -0.01 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.05 2qex h GLU 63 CO -0.10 0.95 -0.03 1.15 -1.00 0.00 0.00 179.01 179.98 2qex h THR 64 N 1.15 1.10 -0.69 1.13 2.02 -0.17 0.04 112.91 117.48 2qex h THR 64 Ca 0.26 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2qex h THR 64 Cb 0.21 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 2qex h THR 64 CO -0.02 0.13 0.40 0.58 0.37 0.00 0.00 175.52 176.98 2qex h VAL 65 N -0.30 1.20 -0.63 3.16 2.07 -1.19 0.27 116.25 120.84 2qex h VAL 65 Ca -0.01 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 2qex h VAL 65 Cb 0.27 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2qex h VAL 65 CO 0.01 0.22 0.25 -0.07 0.02 0.00 0.00 177.57 178.00 2qex h LEU 66 N 0.94 0.86 0.11 2.57 3.38 -0.99 0.78 115.31 122.97 2qex h LEU 66 Ca 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2qex h LEU 66 Cb -0.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2qex h LEU 66 CO -0.04 0.80 -0.05 0.00 0.09 0.00 0.00 178.44 179.23 2qex h ALA 67 N 1.10 -0.15 0.03 1.53 0.00 -0.48 -2.74 119.26 118.55 2qex h ALA 67 Ca 0.21 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2qex h ALA 67 Cb 0.21 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2qex h ALA 67 CO -0.02 -0.58 -0.21 0.00 0.00 0.00 0.00 179.25 178.44 2qex h THR 68 N -0.16 1.67 -0.00 0.00 1.03 -0.72 -3.42 112.91 111.31 2qex h THR 68 Ca -0.02 -2.23 0.00 0.00 -0.01 0.00 0.00 66.41 64.15 2qex h THR 68 Cb 0.12 3.15 0.00 0.00 -1.07 0.00 0.00 68.15 70.35 2qex h THR 68 CO 0.03 0.60 -0.74 0.54 -0.01 0.00 0.00 175.52 175.93 2qex n ARG 69 N -4.50 1.19 -2.31 0.00 5.12 0.27 -4.99 116.66 111.43 2qex n ARG 69 Ca -0.11 -0.21 -0.36 0.00 -1.93 0.00 0.00 57.85 55.25 2qex n ARG 69 Cb 0.54 -1.35 -0.01 0.00 -1.16 0.00 0.00 32.46 30.48 2qex n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qex s ALA 70 N -2.56 2.88 0.05 7.54 0.00 -1.03 -4.25 121.76 124.39 2qex s ALA 70 Ca 0.09 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 2qex s ALA 70 Cb 0.14 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 2qex s ALA 70 CO 0.67 -0.62 -0.03 -1.21 0.00 0.00 0.00 175.76 174.57 2qex s GLU 71 N -2.92 0.62 0.96 0.00 2.02 -1.26 -4.28 118.70 113.84 2qex s GLU 71 Ca 0.66 -1.21 -0.15 0.00 0.02 0.00 0.00 54.97 54.30 2qex s GLU 71 Cb -0.25 0.16 0.18 0.00 0.10 0.00 0.00 34.13 34.31 2qex s GLU 71 CO 0.30 -0.10 1.20 -2.14 0.02 0.00 0.00 175.26 174.54 2qex s PRO 72 N -3.81 0.68 0.59 0.39 0.02 -1.26 -0.72 135.00 130.89 2qex s PRO 72 Ca 0.07 -0.02 0.31 0.00 0.02 0.00 0.00 61.00 61.38 2qex s PRO 72 Cb 0.07 -1.81 1.82 0.00 0.02 0.00 0.00 34.50 34.59 2qex s PRO 72 CO -0.09 -2.45 2.23 -0.07 -0.33 0.00 0.00 177.00 176.29 2qex h LEU 73 N -1.67 0.00 -7.44 -5.54 4.07 -1.73 -3.31 115.31 99.68 2qex h LEU 73 Ca -0.47 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.36 2qex h LEU 73 Cb 1.29 0.00 -0.23 0.00 1.08 0.00 0.00 40.66 42.81 2qex h LEU 73 CO 0.50 0.03 -0.30 -1.61 -1.08 0.00 0.00 178.44 175.98 2qex s GLU 74 N -4.47 0.52 0.00 1.13 2.02 -1.26 -4.90 118.70 111.75 2qex s GLU 74 Ca -0.04 0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.11 2qex s GLU 74 Cb 0.14 0.24 0.00 0.00 0.10 0.00 0.00 34.13 34.62 2qex s GLU 74 CO 0.54 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 176.12 2qex n GLY 75 N 2.14 -1.80 0.00 -1.39 0.00 -1.26 -4.88 105.19 98.00 2qex n GLY 75 Ca -0.17 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2qex n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qex n ASP 76 N -2.33 0.00 -1.82 1.61 8.00 -1.26 -4.50 116.55 116.25 2qex n ASP 76 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2qex n ASP 76 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2qex n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qex n ALA 77 N -2.57 -1.54 -2.07 2.24 0.00 -1.26 -4.35 120.51 110.97 2qex n ALA 77 Ca 0.00 0.27 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 2qex n ALA 77 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 2qex n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qex s ASP 78 N -0.54 7.13 -0.73 0.00 -0.00 -1.26 -4.59 116.67 116.68 2qex s ASP 78 Ca 0.00 2.19 -0.16 0.00 -0.00 0.00 0.00 52.55 54.58 2qex s ASP 78 Cb 0.00 -2.60 0.17 0.00 -0.00 0.00 0.00 42.92 40.49 2qex s ASP 78 CO 0.00 -0.34 0.72 -0.69 -0.00 0.00 0.00 175.17 174.86 2qex s VAL 79 N -0.05 5.32 0.53 -1.27 1.01 -1.26 -4.76 120.40 119.91 2qex s VAL 79 Ca 0.52 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.57 2qex s VAL 79 Cb -0.32 -4.46 -0.00 0.00 0.00 0.00 0.00 36.38 31.60 2qex s VAL 79 CO 0.36 -1.04 0.00 1.51 0.00 0.00 0.00 175.10 175.93 2qex s ASP 80 N 2.89 4.17 0.23 3.32 1.47 -1.26 -4.51 116.67 122.97 2qex s ASP 80 Ca 0.14 -1.70 -0.07 0.00 1.18 0.00 0.00 52.55 52.10 2qex s ASP 80 Cb -0.17 0.68 0.39 0.00 -0.34 0.00 0.00 42.92 43.48 2qex s ASP 80 CO -0.04 -0.92 1.70 0.44 0.68 0.00 0.00 175.17 177.03 2qex h ASP 81 N 1.28 0.07 -0.31 2.11 3.32 -1.95 0.62 116.42 121.56 2qex h ASP 81 Ca -0.44 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 2qex h ASP 81 Cb 1.33 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 41.02 2qex h ASP 81 CO 0.73 0.01 0.17 -0.08 -1.72 0.00 0.00 179.24 178.36 2qex h GLU 82 N 0.31 0.44 -0.02 3.56 4.81 -1.96 0.23 114.58 121.94 2qex h GLU 82 Ca 0.38 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2qex h GLU 82 Cb 0.59 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2qex h GLU 82 CO -0.44 0.37 0.01 2.35 -0.73 0.00 0.00 179.01 180.56 2qex h TRP 83 N 0.39 0.03 -0.25 0.92 7.01 -1.39 -1.27 115.95 121.40 2qex h TRP 83 Ca 0.11 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.16 2qex h TRP 83 Cb 0.05 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.06 2qex h TRP 83 CO -0.03 0.12 -0.04 0.28 -2.79 0.00 0.00 178.44 175.98 2qex h VAL 84 N -0.06 0.78 -0.61 2.65 2.07 0.42 -2.38 116.25 119.11 2qex h VAL 84 Ca 0.01 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2qex h VAL 84 Cb 0.10 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 2qex h VAL 84 CO -0.00 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.86 2qex h ALA 85 N 1.24 0.80 0.00 1.67 0.00 -0.27 0.35 119.26 123.05 2qex h ALA 85 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qex h ALA 85 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2qex h ALA 85 CO -0.24 -0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.27 2qex n GLU 86 N -4.94 0.16 0.00 0.00 1.02 -0.50 -4.29 120.64 112.09 2qex n GLU 86 Ca 0.08 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2qex n GLU 86 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 2qex n GLU 86 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2qex n HIS 87 N -1.41 0.00 -3.17 -0.32 8.25 -0.85 -5.09 115.22 112.62 2qex n HIS 87 Ca 0.09 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.35 2qex n HIS 87 Cb 0.27 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.42 2qex n HIS 87 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2qex s THR 88 N -1.12 2.29 -0.61 1.59 2.01 0.12 -4.88 115.64 115.04 2qex s THR 88 Ca 0.00 -1.08 0.07 0.00 0.31 0.00 0.00 61.69 60.99 2qex s THR 88 Cb 0.00 -2.37 0.43 0.00 0.01 0.00 0.00 72.50 70.56 2qex s THR 88 CO 0.00 0.00 1.15 0.47 -0.69 0.00 0.00 174.62 175.55 2qex n ASP 89 N -2.06 3.46 -2.79 3.53 8.00 -1.26 -4.84 116.55 120.58 2qex n ASP 89 Ca 0.11 -2.48 -0.10 0.00 0.71 0.00 0.00 54.79 53.03 2qex n ASP 89 Cb 0.61 -0.60 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 2qex n ASP 89 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2qex n TYR 90 N 0.32 0.35 -0.05 1.24 4.02 -1.26 -5.07 117.16 116.71 2qex n TYR 90 Ca 0.14 -0.78 -0.04 0.00 -0.01 0.00 0.00 57.90 57.21 2qex n TYR 90 Cb 0.74 -0.10 -0.08 0.00 -0.02 0.00 0.00 39.34 39.89 2qex n TYR 90 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2qex n ASP 91 N -1.14 2.50 -3.43 7.72 8.00 -1.26 -4.52 116.55 124.42 2qex n ASP 91 Ca -0.06 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.35 2qex n ASP 91 Cb 0.20 0.79 -0.01 0.00 -0.02 0.00 0.00 41.12 42.08 2qex n ASP 91 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2qex s ASP 92 N -4.19 0.00 0.29 -2.24 -4.77 -1.26 -4.30 116.67 100.21 2qex s ASP 92 Ca -0.05 -0.97 0.04 0.00 -3.30 0.00 0.00 52.55 48.27 2qex s ASP 92 Cb 0.03 0.75 0.69 0.00 -1.09 0.00 0.00 42.92 43.31 2qex s ASP 92 CO 0.42 -1.46 1.76 0.40 0.70 0.00 0.00 175.17 176.99 2qex h ILE 93 N 2.05 0.67 -0.39 2.11 2.04 -1.87 -2.16 117.51 119.95 2qex h ILE 93 Ca -0.26 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.39 2qex h ILE 93 Cb 1.25 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 2qex h ILE 93 CO 0.34 0.12 0.23 0.28 0.00 0.00 0.00 178.15 179.12 2qex h SER 94 N 0.66 0.38 -0.97 1.72 0.02 -1.96 0.26 113.55 113.66 2qex h SER 94 Ca 0.55 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.53 2qex h SER 94 Cb 0.88 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.29 2qex h SER 94 CO -0.41 0.27 0.63 1.23 -1.14 0.00 0.00 176.83 177.42 2qex h GLY 95 N 0.47 1.39 0.71 -3.77 0.00 -1.80 0.21 103.07 100.28 2qex h GLY 95 Ca 0.15 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2qex h GLY 95 CO -0.07 0.44 -0.04 -2.00 0.00 0.00 0.00 176.54 174.88 2qex h LEU 96 N 1.25 -0.09 -1.37 3.11 5.85 -1.19 -2.45 115.31 120.44 2qex h LEU 96 Ca 0.37 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.94 2qex h LEU 96 Cb -0.06 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 2qex h LEU 96 CO -0.11 0.22 0.52 0.00 -0.34 0.00 0.00 178.44 178.73 2qex h ALA 97 N 0.50 1.81 -0.18 1.25 0.00 0.07 -1.16 119.26 121.54 2qex h ALA 97 Ca -0.01 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2qex h ALA 97 Cb 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qex h ALA 97 CO 0.02 0.01 -0.47 0.35 0.00 0.00 0.00 179.25 179.16 2qex h PHE 98 N 0.68 0.82 -0.57 0.00 3.57 -0.50 -2.83 116.94 118.11 2qex h PHE 98 Ca 0.37 -0.32 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 2qex h PHE 98 Cb 0.52 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 2qex h PHE 98 CO -0.00 1.10 0.21 0.00 -2.23 0.00 0.00 178.31 177.38 2qex h ALA 99 N 0.57 1.29 0.58 2.41 0.00 -0.90 -2.38 119.26 120.84 2qex h ALA 99 Ca -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2qex h ALA 99 Cb 1.09 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.65 2qex h ALA 99 CO 0.10 0.52 -0.28 -0.07 0.00 0.00 0.00 179.25 179.52 2qex h LEU 100 N 0.82 -0.66 -1.81 0.00 3.38 -1.23 -0.73 115.31 115.09 2qex h LEU 100 Ca 0.19 -0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.29 2qex h LEU 100 Cb 0.19 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2qex h LEU 100 CO -0.01 -0.38 0.45 -0.07 0.09 0.00 0.00 178.44 178.51 2qex h LEU 101 N -0.91 0.18 -1.04 1.67 3.38 -1.41 0.40 115.31 117.58 2qex h LEU 101 Ca -0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2qex h LEU 101 Cb 0.64 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2qex h LEU 101 CO 0.13 0.09 0.00 -1.54 0.09 0.00 0.00 178.44 177.21 2qex n SER 102 N -4.42 1.57 -3.72 -0.43 3.41 -0.90 -4.35 113.62 104.78 2qex n SER 102 Ca 0.12 -1.66 -0.25 0.00 -0.26 0.00 0.00 58.87 56.82 2qex n SER 102 Cb 0.58 -0.08 0.05 0.00 -0.26 0.00 0.00 64.21 64.50 2qex n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2qex n GLU 103 N 0.25 -6.56 0.02 4.33 1.02 0.14 -4.91 120.64 114.93 2qex n GLU 103 Ca 0.17 0.72 0.06 0.00 -0.02 0.00 0.00 57.16 58.08 2qex n GLU 103 Cb 0.32 -5.65 -0.10 0.00 -0.02 0.00 0.00 31.44 25.99 2qex n GLU 103 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2qex n GLU 104 N -4.71 0.64 -4.02 3.49 4.07 -0.34 -5.01 120.64 114.76 2qex n GLU 104 Ca -0.04 0.01 -0.13 0.00 -0.06 0.00 0.00 57.16 56.94 2qex n GLU 104 Cb 0.57 -1.67 -0.03 0.00 -0.06 0.00 0.00 31.44 30.25 2qex n GLU 104 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 2qex s THR 105 N -3.20 0.00 0.29 6.31 -1.32 -1.25 -5.05 115.64 111.42 2qex s THR 105 Ca -0.05 -1.46 0.04 0.00 -1.21 0.00 0.00 61.69 59.01 2qex s THR 105 Cb 0.10 -2.60 -0.06 0.00 -1.51 0.00 0.00 72.50 68.44 2qex s THR 105 CO 0.84 0.00 0.02 0.42 -2.21 0.00 0.00 174.62 173.70 2qex s THR 106 N -3.12 1.19 0.30 5.08 -4.23 -1.26 -4.66 115.64 108.93 2qex s THR 106 Ca 0.26 -2.03 0.04 0.00 -1.18 0.00 0.00 61.69 58.78 2qex s THR 106 Cb -0.01 -2.59 0.08 0.00 1.34 0.00 0.00 72.50 71.31 2qex s THR 106 CO 0.16 -0.15 1.75 -0.07 -0.54 0.00 0.00 174.62 175.77 2qex h LEU 107 N 2.26 0.41 -0.21 4.79 3.38 -1.92 -3.00 115.31 121.03 2qex h LEU 107 Ca -0.40 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 2qex h LEU 107 Cb 1.24 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2qex h LEU 107 CO 0.67 0.67 -0.00 0.03 0.09 0.00 0.00 178.44 179.90 2qex h ARG 108 N 0.37 0.37 -0.51 1.13 3.08 -1.87 0.19 114.38 117.13 2qex h ARG 108 Ca 0.05 -0.12 0.14 0.00 0.07 0.00 0.00 59.98 60.13 2qex h ARG 108 Cb 0.65 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2qex h ARG 108 CO 0.05 0.57 0.37 0.93 -1.07 0.00 0.00 179.97 180.81 2qex h GLU 109 N 0.13 0.03 -0.24 0.04 5.08 -1.85 0.18 114.58 117.95 2qex h GLU 109 Ca 0.06 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2qex h GLU 109 Cb 0.40 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2qex h GLU 109 CO 0.01 0.02 0.00 1.04 -1.00 0.00 0.00 179.01 179.08 2qex n GLN 110 N -4.39 2.11 -0.77 2.33 1.13 -1.12 -4.94 117.38 111.72 2qex n GLN 110 Ca 0.09 -1.67 0.00 0.00 -1.94 0.00 0.00 57.00 53.48 2qex n GLN 110 Cb 0.57 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.46 2qex n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qex n GLY 111 N 1.31 0.54 3.76 1.08 0.00 0.05 -4.61 105.19 107.32 2qex n GLY 111 Ca 0.17 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 2qex n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qex s LEU 112 N 0.00 3.71 0.30 0.99 1.43 0.66 -2.34 118.68 123.43 2qex s LEU 112 Ca 0.00 -0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 2qex s LEU 112 Cb 0.00 -2.37 -0.10 0.00 0.03 0.00 0.00 46.19 43.75 2qex s LEU 112 CO 0.00 0.13 1.42 -0.55 0.23 0.00 0.00 176.35 177.59 2qex s SER 113 N -2.65 6.60 0.35 2.29 0.15 0.10 -3.38 113.70 117.15 2qex s SER 113 Ca 0.29 2.78 0.25 0.00 0.70 0.00 0.00 55.95 59.96 2qex s SER 113 Cb -0.11 -2.64 1.24 0.00 -1.71 0.00 0.00 66.02 62.80 2qex s SER 113 CO 0.22 -0.71 1.76 -0.65 1.20 0.00 0.00 173.24 175.06 2qex h PRO 114 N 4.13 0.00 -5.81 5.44 0.11 -1.90 -3.44 132.00 130.53 2qex h PRO 114 Ca -0.48 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.96 2qex h PRO 114 Cb 1.22 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.13 2qex h PRO 114 CO 0.72 0.00 -0.69 0.99 -0.21 0.00 0.00 178.00 178.80 2qex s THR 115 N -3.54 3.71 -0.40 -1.15 2.01 -1.26 -4.44 115.64 110.56 2qex s THR 115 Ca -0.00 -0.46 -0.09 0.00 0.31 0.00 0.00 61.69 61.45 2qex s THR 115 Cb 0.08 -2.55 0.06 0.00 0.01 0.00 0.00 72.50 70.10 2qex s THR 115 CO 0.29 0.56 0.23 -0.76 -0.69 0.00 0.00 174.62 174.26 2qex s LEU 116 N -0.36 4.99 -0.76 4.42 1.43 -0.57 -4.68 118.68 123.15 2qex s LEU 116 Ca 0.05 -1.37 -0.25 0.00 -1.03 0.00 0.00 54.13 51.53 2qex s LEU 116 Cb -0.12 -1.98 0.05 0.00 0.03 0.00 0.00 46.19 44.17 2qex s LEU 116 CO 0.02 -0.49 1.19 -0.13 0.23 0.00 0.00 176.35 177.17 2qex s ARG 117 N 1.45 3.23 0.75 1.70 0.52 -1.26 -0.17 118.95 125.16 2qex s ARG 117 Ca 0.02 -0.63 -0.11 0.00 -0.52 0.00 0.00 55.73 54.50 2qex s ARG 117 Cb -0.22 -4.37 0.05 0.00 0.52 0.00 0.00 34.95 30.93 2qex s ARG 117 CO 0.03 -2.02 1.11 -0.51 0.02 0.00 0.00 175.30 173.93 2qex s LEU 118 N 4.92 2.72 0.26 2.53 1.43 -0.93 -4.93 118.68 124.68 2qex s LEU 118 Ca 0.32 0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 54.27 2qex s LEU 118 Cb -0.10 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 2qex s LEU 118 CO 0.09 -1.63 0.46 -2.28 0.23 0.00 0.00 176.35 173.22 2qex s HIS 119 N -3.43 3.48 0.72 0.29 5.65 -1.18 -4.86 115.29 115.97 2qex s HIS 119 Ca 0.60 0.33 -0.16 0.00 0.25 0.00 0.00 55.06 56.08 2qex s HIS 119 Cb -0.11 -1.86 0.03 0.00 -1.18 0.00 0.00 32.58 29.46 2qex s HIS 119 CO 0.49 0.28 1.25 -2.14 -0.65 0.00 0.00 174.74 173.97 2qex s PRO 120 N -3.76 2.14 -0.15 2.88 0.02 -1.26 -4.48 135.00 130.39 2qex s PRO 120 Ca 0.39 1.91 -0.29 0.00 0.02 0.00 0.00 61.00 63.03 2qex s PRO 120 Cb -0.10 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.55 2qex s PRO 120 CO 0.31 -1.87 1.92 -1.25 -0.33 0.00 0.00 177.00 175.78 2qex s PRO 121 N -3.73 3.66 0.09 5.54 0.04 -1.26 -4.51 135.00 134.83 2qex s PRO 121 Ca 0.78 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 63.56 2qex s PRO 121 Cb -0.33 -4.19 -0.10 0.00 0.04 0.00 0.00 34.50 29.92 2qex s PRO 121 CO 0.44 -1.48 1.91 0.54 0.04 0.00 0.00 177.00 178.45 2qex n ARG 122 N 8.01 2.86 -0.63 4.56 1.74 -0.70 -0.01 116.66 132.49 2qex n ARG 122 Ca 0.23 1.04 0.00 0.00 -0.77 0.00 0.00 57.85 58.35 2qex n ARG 122 Cb 0.44 -2.97 0.00 0.00 -1.02 0.00 0.00 32.46 28.91 2qex n ARG 122 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qex n GLY 123 N 4.39 0.76 0.76 -0.13 0.00 -1.26 -4.91 105.19 104.80 2qex n GLY 123 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 2qex n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qex n GLY 124 N -2.27 -2.98 1.96 -0.02 0.00 0.99 -5.01 105.19 97.86 2qex n GLY 124 Ca 0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 2qex n GLY 124 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2qex n HIS 125 N -3.25 -3.15 0.79 1.61 1.44 -1.26 -4.96 115.22 106.44 2qex n HIS 125 Ca -0.05 -0.89 0.03 0.00 -2.01 0.00 0.00 57.72 54.80 2qex n HIS 125 Cb 0.36 -0.37 0.11 0.00 0.12 0.00 0.00 29.99 30.21 2qex n HIS 125 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2qex n ASP 126 N -2.95 1.91 0.00 4.39 8.00 -1.26 -5.00 116.55 121.64 2qex n ASP 126 Ca 0.08 -2.16 0.00 0.00 0.71 0.00 0.00 54.79 53.42 2qex n ASP 126 Cb 0.30 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 2qex n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qex n GLY 127 N 0.45 0.80 1.45 0.44 0.00 -1.26 -4.12 105.19 102.95 2qex n GLY 127 Ca 0.08 -1.54 -0.00 0.00 0.00 0.00 0.00 46.02 44.56 2qex n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qex n VAL 128 N 1.13 2.64 0.35 1.61 0.24 -1.26 -1.75 118.33 121.29 2qex n VAL 128 Ca 0.00 -1.94 0.04 0.00 -2.04 0.00 0.00 64.34 60.40 2qex n VAL 128 Cb 0.00 -0.32 0.03 0.00 -1.47 0.00 0.00 33.84 32.08 2qex n VAL 128 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2qex n LYS 129 N -0.46 0.61 -3.90 7.34 5.02 -1.26 -4.96 118.16 120.54 2qex n LYS 129 Ca 0.33 -0.89 -0.11 0.00 -2.02 0.00 0.00 58.31 55.62 2qex n LYS 129 Cb 1.15 -1.13 -0.11 0.00 -0.02 0.00 0.00 35.03 34.93 2qex n LYS 129 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2qex s HIS 130 N -0.80 0.09 1.08 2.13 3.76 -1.26 -5.07 115.29 115.23 2qex s HIS 130 Ca 0.09 -0.22 -0.18 0.00 -0.15 0.00 0.00 55.06 54.61 2qex s HIS 130 Cb 0.07 -0.08 0.24 0.00 1.11 0.00 0.00 32.58 33.92 2qex s HIS 130 CO 0.12 -0.23 1.22 -1.25 -0.85 0.00 0.00 174.74 173.75 2qex s PRO 131 N -1.27 -0.29 0.24 8.40 0.04 -1.26 -2.36 135.00 138.49 2qex s PRO 131 Ca -0.14 -0.26 -0.06 0.00 0.04 0.00 0.00 61.00 60.59 2qex s PRO 131 Cb -0.08 -1.72 0.24 0.00 0.04 0.00 0.00 34.50 32.98 2qex s PRO 131 CO 0.01 -3.06 1.79 0.28 0.04 0.00 0.00 177.00 176.06 2qex h VAL 132 N -2.11 1.25 0.00 -0.36 2.07 -1.39 0.99 116.25 116.70 2qex h VAL 132 Ca -0.44 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.21 2qex h VAL 132 Cb 1.26 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2qex h VAL 132 CO 0.35 0.33 -0.22 0.11 0.02 0.00 0.00 177.57 178.16 2qex h LYS 133 N 1.06 0.00 -0.60 1.57 1.57 -1.88 -2.57 116.57 115.71 2qex h LYS 133 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2qex h LYS 133 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2qex h LYS 133 CO -0.02 0.22 0.00 0.39 -0.57 0.00 0.00 179.45 179.48 2qex n GLU 134 N -4.23 2.79 -0.32 3.15 1.02 -1.04 -4.90 120.64 117.10 2qex n GLU 134 Ca -0.02 -2.15 0.00 0.00 -0.02 0.00 0.00 57.16 54.97 2qex n GLU 134 Cb 0.28 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2qex n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qex n GLY 135 N 1.14 0.79 0.00 0.62 0.00 -0.97 -4.86 105.19 101.92 2qex n GLY 135 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2qex n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qex n GLY 136 N -2.24 1.05 0.00 -0.02 0.00 0.34 -4.79 105.19 99.54 2qex n GLY 136 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 2qex n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2qex n GLN 137 N -0.08 0.37 -3.17 1.61 -0.06 -0.72 -4.09 117.38 111.24 2qex n GLN 137 Ca 0.00 -0.38 -0.32 0.00 -2.00 0.00 0.00 57.00 54.29 2qex n GLN 137 Cb 0.00 -0.88 -0.06 0.00 -4.06 0.00 0.00 30.24 25.24 2qex n GLN 137 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2qex s LEU 138 N -0.32 4.07 0.00 1.69 1.43 -1.10 -4.61 118.68 119.84 2qex s LEU 138 Ca 0.00 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 2qex s LEU 138 Cb 0.00 -4.02 0.00 0.00 0.03 0.00 0.00 46.19 42.20 2qex s LEU 138 CO 0.00 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.00 2qex n GLY 139 N -0.37 -1.76 3.73 -3.19 0.00 -0.25 -1.42 105.19 101.93 2qex n GLY 139 Ca 0.03 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 2qex n GLY 139 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qex s LYS 140 N 0.00 4.49 0.50 1.61 2.20 -1.26 -2.04 119.74 125.24 2qex s LYS 140 Ca 0.00 1.84 0.04 0.00 -0.36 0.00 0.00 55.97 57.49 2qex s LYS 140 Cb 0.00 -3.27 -0.00 0.00 -1.51 0.00 0.00 37.83 33.05 2qex s LYS 140 CO 0.00 -0.11 0.21 -1.01 -0.36 0.00 0.00 175.35 174.08 2qex s HIS 141 N 0.20 1.94 0.84 4.03 3.76 0.16 -4.75 115.29 121.46 2qex s HIS 141 Ca 0.54 -0.82 -0.10 0.00 -0.15 0.00 0.00 55.06 54.53 2qex s HIS 141 Cb -0.32 -1.82 0.15 0.00 1.11 0.00 0.00 32.58 31.70 2qex s HIS 141 CO 0.35 -0.08 1.17 -0.51 -0.85 0.00 0.00 174.74 174.81 2qex s ASP 142 N -4.05 3.85 0.15 1.40 1.01 -1.26 -4.66 116.67 113.10 2qex s ASP 142 Ca 0.26 0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.68 2qex s ASP 142 Cb 0.01 -0.42 -0.05 0.00 1.01 0.00 0.00 42.92 43.47 2qex s ASP 142 CO 0.15 -2.24 1.34 0.74 0.21 0.00 0.00 175.17 175.38 2qex h THR 143 N -1.10 1.49 -0.13 -1.27 2.02 -1.98 0.13 112.91 112.07 2qex h THR 143 Ca -0.42 -2.68 -0.07 0.00 0.77 0.00 0.00 66.41 64.02 2qex h THR 143 Cb 1.26 2.52 -0.00 0.00 -1.74 0.00 0.00 68.15 70.19 2qex h THR 143 CO 0.44 0.78 -0.18 -0.08 0.37 0.00 0.00 175.52 176.85 2qex h GLU 144 N 0.12 0.34 -0.31 6.66 4.81 -1.93 -2.20 114.58 122.07 2qex h GLU 144 Ca -0.06 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 59.00 2qex h GLU 144 Cb 1.57 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.94 2qex h GLU 144 CO 0.14 0.77 0.13 0.78 -0.73 0.00 0.00 179.01 180.11 2qex h GLY 145 N -0.06 0.40 1.38 1.92 0.00 -1.89 -0.70 103.07 104.12 2qex h GLY 145 Ca 0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 2qex h GLY 145 CO 0.04 0.05 -0.06 -2.22 0.00 0.00 0.00 176.54 174.36 2qex h ILE 146 N 0.27 1.25 -0.67 2.60 1.08 -0.77 -2.48 117.51 118.79 2qex h ILE 146 Ca 0.13 -1.06 -0.06 0.00 -0.39 0.00 0.00 64.86 63.48 2qex h ILE 146 Cb 0.08 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 34.78 2qex h ILE 146 CO -0.12 0.37 0.19 0.44 -0.69 0.00 0.00 178.15 178.34 2qex h ASP 147 N 0.69 0.99 -0.59 1.72 3.32 -1.00 -0.56 116.42 120.98 2qex h ASP 147 Ca 0.13 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 56.98 2qex h ASP 147 Cb 0.50 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2qex h ASP 147 CO 0.03 0.95 0.38 0.44 -1.72 0.00 0.00 179.24 179.31 2qex h ASP 148 N 0.99 0.63 0.08 6.45 5.19 -0.75 0.18 116.42 129.19 2qex h ASP 148 Ca 0.21 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.61 2qex h ASP 148 Cb 0.32 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.69 2qex h ASP 148 CO -0.00 0.45 -0.04 0.25 -3.12 0.00 0.00 179.24 176.78 2qex h LEU 149 N 0.76 -0.09 -0.99 1.55 5.85 -1.22 -2.59 115.31 118.58 2qex h LEU 149 Ca 0.23 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 2qex h LEU 149 Cb -0.04 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2qex h LEU 149 CO -0.07 0.35 0.28 -0.07 -0.34 0.00 0.00 178.44 178.58 2qex h LEU 150 N -0.54 0.92 -1.25 2.25 3.38 -0.98 -1.68 115.31 117.41 2qex h LEU 150 Ca -0.01 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2qex h LEU 150 Cb 0.46 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2qex h LEU 150 CO 0.02 0.82 -0.26 -0.33 0.09 0.00 0.00 178.44 178.77 2qex h GLU 151 N 0.99 0.00 0.00 1.13 5.08 -0.68 -2.55 114.58 118.55 2qex h GLU 151 Ca 0.23 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.45 2qex h GLU 151 Cb 0.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2qex h GLU 151 CO -0.02 0.26 -0.68 0.00 -1.00 0.00 0.00 179.01 177.57 2qex h ALA 152 N 1.74 0.57 -0.88 3.43 0.00 -0.95 -3.03 119.26 120.13 2qex h ALA 152 Ca -0.00 -0.62 -0.41 0.00 0.00 0.00 0.00 54.91 53.88 2qex h ALA 152 Cb 0.69 -0.11 -0.24 0.00 0.00 0.00 0.00 17.79 18.13 2qex h ALA 152 CO 0.03 0.85 0.52 -1.33 0.00 0.00 0.00 179.25 179.33 2qex n MET 153 N -3.29 2.63 0.00 0.00 2.81 -0.70 -1.72 117.12 116.85 2qex n MET 153 Ca 0.01 -2.89 0.00 0.00 -1.81 0.00 0.00 57.70 53.02 2qex n MET 153 Cb 0.80 -2.14 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 2qex n MET 153 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35