#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxu s ASN 4 N 0.00 4.89 0.55 0.41 0.01 -1.26 -4.95 114.94 114.58 2qxu s ASN 4 Ca 0.00 1.78 -0.21 0.00 -0.71 0.00 0.00 52.86 53.73 2qxu s ASN 4 Cb 0.00 -2.52 -0.05 0.00 0.41 0.00 0.00 41.25 39.10 2qxu s ASN 4 CO 0.00 -1.78 1.28 -2.84 -1.51 0.00 0.00 177.10 172.25 2qxu s PRO 5 N -4.81 3.14 -0.18 -0.60 0.02 -1.26 -4.63 135.00 126.68 2qxu s PRO 5 Ca 0.61 2.03 -0.06 0.00 0.02 0.00 0.00 61.00 63.61 2qxu s PRO 5 Cb -0.17 -2.15 -0.03 0.00 0.02 0.00 0.00 34.50 32.17 2qxu s PRO 5 CO 0.53 -1.13 0.02 0.08 -0.33 0.00 0.00 177.00 176.17 2qxu s VAL 6 N -1.42 4.33 -0.23 3.83 1.01 -0.26 -1.24 120.40 126.42 2qxu s VAL 6 Ca 0.73 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 2qxu s VAL 6 Cb -0.36 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2qxu s VAL 6 CO 0.41 0.46 0.05 -0.69 0.00 0.00 0.00 175.10 175.32 2qxu s VAL 7 N 0.53 4.22 -0.20 2.92 1.01 0.58 -0.20 120.40 129.27 2qxu s VAL 7 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 2qxu s VAL 7 Cb -0.13 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 2qxu s VAL 7 CO 0.02 0.38 0.11 -0.04 0.00 0.00 0.00 175.10 175.56 2qxu s MET 8 N 1.34 4.11 -0.26 2.72 -1.94 0.17 -1.95 119.30 123.48 2qxu s MET 8 Ca 0.05 -0.26 -0.00 0.00 -1.71 0.00 0.00 55.69 53.76 2qxu s MET 8 Cb -0.15 -3.37 0.04 0.00 2.01 0.00 0.00 34.83 33.37 2qxu s MET 8 CO 0.03 0.27 -0.06 0.08 -0.01 0.00 0.00 175.02 175.32 2qxu s VAL 9 N 0.43 2.67 0.91 -6.03 1.01 0.13 -1.70 120.40 117.83 2qxu s VAL 9 Ca 0.06 -1.30 -0.13 0.00 0.00 0.00 0.00 61.98 60.61 2qxu s VAL 9 Cb -0.12 -2.46 0.14 0.00 0.00 0.00 0.00 36.38 33.95 2qxu s VAL 9 CO -0.01 0.06 1.18 -1.38 0.00 0.00 0.00 175.10 174.95 2qxu s HIS 10 N 1.24 2.33 0.00 5.22 -3.43 -1.26 -0.83 115.29 118.56 2qxu s HIS 10 Ca -0.04 0.71 0.00 0.00 -0.80 0.00 0.00 55.06 54.94 2qxu s HIS 10 Cb -0.18 -3.54 0.00 0.00 -1.43 0.00 0.00 32.58 27.43 2qxu s HIS 10 CO -0.04 -2.37 0.00 0.41 -2.00 0.00 0.00 174.74 170.74 2qxu n GLY 11 N -2.67 3.65 3.71 -1.38 0.00 -1.12 -3.07 105.19 104.31 2qxu n GLY 11 Ca 0.09 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2qxu n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qxu s ILE 12 N 1.56 2.22 0.00 -0.61 1.01 -1.26 -1.28 121.20 122.84 2qxu s ILE 12 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.73 2qxu s ILE 12 Cb 0.00 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.42 2qxu s ILE 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.55 2qxu n GLY 13 N 4.01 0.41 0.53 6.18 0.00 -1.04 -5.00 105.19 110.28 2qxu n GLY 13 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 2qxu n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qxu n GLY 14 N -1.64 0.12 3.50 -0.02 0.00 -0.40 -5.13 105.19 101.61 2qxu n GLY 14 Ca 0.00 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 2qxu n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxu s ALA 15 N -3.20 -1.62 0.53 4.61 0.00 -1.26 -4.91 121.76 115.91 2qxu s ALA 15 Ca 0.09 0.52 0.24 0.00 0.00 0.00 0.00 51.96 52.81 2qxu s ALA 15 Cb -0.00 0.75 1.39 0.00 0.00 0.00 0.00 23.12 25.26 2qxu s ALA 15 CO 0.06 -0.79 2.03 0.66 0.00 0.00 0.00 175.76 177.73 2qxu h SER 16 N 2.00 0.00 0.31 0.00 4.64 -1.87 -0.18 113.55 118.44 2qxu h SER 16 Ca -0.29 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2qxu h SER 16 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2qxu h SER 16 CO 0.34 0.00 -0.02 -0.26 -0.87 0.00 0.00 176.83 176.02 2qxu h PHE 17 N 0.00 0.00 -0.01 4.77 0.04 -1.94 -2.57 116.94 117.22 2qxu h PHE 17 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 2qxu h PHE 17 Cb 0.77 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.92 2qxu h PHE 17 CO 0.00 0.02 0.01 -0.91 -0.60 0.00 0.00 178.31 176.83 2qxu h ASN 18 N 0.00 0.00 -0.49 2.17 2.35 -1.43 -2.40 115.58 115.78 2qxu h ASN 18 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qxu h ASN 18 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2qxu h ASN 18 CO 0.00 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.27 2qxu n PHE 19 N -3.66 1.33 -0.30 1.19 3.72 -0.97 -4.47 117.46 114.31 2qxu n PHE 19 Ca -0.03 -0.50 -0.03 0.00 -0.05 0.00 0.00 57.45 56.84 2qxu n PHE 19 Cb 0.09 -0.28 0.09 0.00 -0.94 0.00 0.00 39.48 38.44 2qxu n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qxu h ALA 20 N 3.72 1.06 -0.18 4.37 0.00 -1.63 0.11 119.26 126.70 2qxu h ALA 20 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2qxu h ALA 20 Cb 1.36 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2qxu h ALA 20 CO 0.26 0.42 0.01 0.78 0.00 0.00 0.00 179.25 180.71 2qxu h GLY 21 N 1.08 0.34 1.00 0.00 0.00 -1.81 -2.21 103.07 101.47 2qxu h GLY 21 Ca 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 2qxu h GLY 21 CO -0.08 0.23 0.35 -2.22 0.00 0.00 0.00 176.54 174.81 2qxu h ILE 22 N 0.07 1.21 -0.30 2.60 1.08 -1.65 -1.43 117.51 119.09 2qxu h ILE 22 Ca 0.05 -0.54 0.03 0.00 -0.39 0.00 0.00 64.86 64.01 2qxu h ILE 22 Cb 0.37 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 2qxu h ILE 22 CO 0.01 0.23 0.11 0.50 -0.69 0.00 0.00 178.15 178.32 2qxu h LYS 23 N 0.90 0.25 -0.77 2.37 3.64 -0.71 -0.79 116.57 121.46 2qxu h LYS 23 Ca 0.23 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 2qxu h LYS 23 Cb 0.06 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2qxu h LYS 23 CO -0.04 0.16 0.27 0.77 -2.27 0.00 0.00 179.45 178.35 2qxu h SER 24 N 0.25 1.09 -0.43 4.20 0.02 -1.11 -1.56 113.55 116.02 2qxu h SER 24 Ca 0.13 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2qxu h SER 24 Cb 0.09 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 2qxu h SER 24 CO -0.12 0.99 0.20 0.22 -1.14 0.00 0.00 176.83 176.97 2qxu h TYR 25 N 1.13 0.63 -0.57 3.45 3.20 -0.86 -1.85 116.97 122.09 2qxu h TYR 25 Ca 0.25 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 2qxu h TYR 25 Cb 0.27 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 2qxu h TYR 25 CO 0.02 0.52 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.99 2qxu h LEU 26 N 0.55 0.97 -0.58 2.82 3.38 -0.93 -2.24 115.31 119.28 2qxu h LEU 26 Ca 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2qxu h LEU 26 Cb 0.14 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2qxu h LEU 26 CO -0.02 1.02 0.32 0.58 0.09 0.00 0.00 178.44 180.44 2qxu h VAL 27 N 0.91 1.19 0.00 1.22 2.07 -1.13 -0.68 116.25 119.83 2qxu h VAL 27 Ca 0.17 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2qxu h VAL 27 Cb 0.53 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2qxu h VAL 27 CO 0.03 0.20 -0.01 0.77 0.02 0.00 0.00 177.57 178.58 2qxu h SER 28 N 0.78 0.00 -0.43 0.57 4.64 -1.05 -1.85 113.55 116.22 2qxu h SER 28 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2qxu h SER 28 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2qxu h SER 28 CO -0.03 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 2qxu n GLN 29 N -3.14 2.43 0.00 4.77 1.13 -0.43 -4.94 117.38 117.20 2qxu n GLN 29 Ca -0.02 -2.17 0.00 0.00 -1.94 0.00 0.00 57.00 52.87 2qxu n GLN 29 Cb 0.16 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.01 2qxu n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qxu n GLY 30 N 1.48 0.87 3.76 1.08 0.00 -0.69 -5.06 105.19 106.63 2qxu n GLY 30 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2qxu n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qxu s TRP 31 N -2.00 3.84 -0.07 1.61 0.51 -0.40 -4.99 118.94 117.44 2qxu s TRP 31 Ca 0.00 1.85 -0.30 0.00 -2.12 0.00 0.00 56.10 55.53 2qxu s TRP 31 Cb 0.00 -3.02 -0.03 0.00 -0.81 0.00 0.00 33.47 29.61 2qxu s TRP 31 CO 0.00 0.22 1.19 -1.12 -0.51 0.00 0.00 176.95 176.72 2qxu s SER 32 N -1.25 7.06 0.41 2.95 0.01 -1.26 -4.06 113.70 117.56 2qxu s SER 32 Ca 0.44 1.78 0.16 0.00 1.31 0.00 0.00 55.95 59.64 2qxu s SER 32 Cb -0.25 -2.56 1.04 0.00 0.21 0.00 0.00 66.02 64.46 2qxu s SER 32 CO 0.31 -0.59 1.87 -0.09 0.41 0.00 0.00 173.24 175.16 2qxu h ARG 33 N 7.48 0.43 -0.00 12.44 9.65 -1.94 0.13 114.38 142.57 2qxu h ARG 33 Ca -0.33 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.52 2qxu h ARG 33 Cb 1.15 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 2qxu h ARG 33 CO 0.89 0.29 0.00 -0.25 2.80 0.00 0.00 179.97 183.69 2qxu n ASP 34 N -4.51 0.04 -0.18 -3.80 8.00 -1.26 -2.96 116.55 111.88 2qxu n ASP 34 Ca 0.18 -1.43 0.07 0.00 0.71 0.00 0.00 54.79 54.32 2qxu n ASP 34 Cb 0.63 -0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.84 2qxu n ASP 34 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qxu n LYS 35 N -0.76 1.96 -3.96 -1.24 4.76 0.45 -4.93 118.16 114.44 2qxu n LYS 35 Ca 0.14 -2.33 -0.34 0.00 -2.87 0.00 0.00 58.31 52.91 2qxu n LYS 35 Cb 0.07 -1.41 -0.14 0.00 -1.84 0.00 0.00 35.03 31.71 2qxu n LYS 35 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qxu s LEU 36 N -2.34 3.72 0.02 -0.35 1.43 -1.16 -1.10 118.68 118.91 2qxu s LEU 36 Ca 0.25 -1.29 0.04 0.00 -1.03 0.00 0.00 54.13 52.10 2qxu s LEU 36 Cb 0.21 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 2qxu s LEU 36 CO 0.04 -0.23 -0.08 -0.31 0.23 0.00 0.00 176.35 175.99 2qxu s TYR 37 N 1.21 2.83 -0.10 0.29 1.51 0.72 -4.98 117.35 118.84 2qxu s TYR 37 Ca -0.06 -0.08 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 2qxu s TYR 37 Cb -0.20 -1.57 0.02 0.00 -0.11 0.00 0.00 41.96 40.11 2qxu s TYR 37 CO -0.02 0.37 -0.08 0.00 -1.11 0.00 0.00 175.55 174.70 2qxu s ALA 38 N -1.03 1.28 0.52 3.71 0.00 -1.26 0.41 121.76 125.39 2qxu s ALA 38 Ca 0.18 -0.49 -0.09 0.00 0.00 0.00 0.00 51.96 51.55 2qxu s ALA 38 Cb -0.11 -0.82 -0.05 0.00 0.00 0.00 0.00 23.12 22.14 2qxu s ALA 38 CO 0.09 -0.29 0.89 0.54 0.00 0.00 0.00 175.76 176.99 2qxu s VAL 39 N 1.46 4.77 -0.16 0.00 0.11 -0.69 -4.80 120.40 121.10 2qxu s VAL 39 Ca 0.00 0.63 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 2qxu s VAL 39 Cb -0.13 -3.83 0.03 0.00 -1.53 0.00 0.00 36.38 30.92 2qxu s VAL 39 CO -0.05 -0.88 -0.12 -1.81 -3.33 0.00 0.00 175.10 168.91 2qxu s ASP 40 N -3.84 2.78 -0.05 3.54 1.01 -1.26 -3.67 116.67 115.18 2qxu s ASP 40 Ca 0.52 -0.56 -0.13 0.00 0.71 0.00 0.00 52.55 53.09 2qxu s ASP 40 Cb -0.10 -1.12 -0.05 0.00 1.01 0.00 0.00 42.92 42.66 2qxu s ASP 40 CO 0.44 -0.10 0.33 -0.36 0.21 0.00 0.00 175.17 175.70 2qxu s PHE 41 N 1.51 3.66 -0.28 4.23 0.08 -1.26 -4.98 117.98 120.94 2qxu s PHE 41 Ca 0.03 0.83 0.19 0.00 0.12 0.00 0.00 56.93 58.10 2qxu s PHE 41 Cb -0.14 -2.22 0.18 0.00 -0.57 0.00 0.00 43.02 40.27 2qxu s PHE 41 CO -0.10 0.60 1.50 0.11 -0.10 0.00 0.00 175.22 177.24 2qxu h TRP 42 N 5.08 0.00 -3.12 0.36 5.08 -1.99 -3.43 115.95 117.93 2qxu h TRP 42 Ca -0.51 0.00 -0.55 0.00 1.08 0.00 0.00 58.89 58.91 2qxu h TRP 42 Cb 1.21 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 27.30 2qxu h TRP 42 CO 0.71 0.28 1.01 0.34 -1.28 0.00 0.00 178.44 179.49 2qxu s ASP 43 N -6.32 6.37 0.27 0.11 -1.08 -1.26 -4.88 116.67 109.88 2qxu s ASP 43 Ca 0.05 0.19 0.23 0.00 -0.52 0.00 0.00 52.55 52.50 2qxu s ASP 43 Cb 0.06 -2.55 1.03 0.00 -1.46 0.00 0.00 42.92 40.00 2qxu s ASP 43 CO 0.71 -1.53 1.69 0.29 0.52 0.00 0.00 175.17 176.85 2qxu n LYS 44 N 8.47 0.17 0.00 4.34 5.02 -1.26 -1.46 118.16 133.44 2qxu n LYS 44 Ca 0.10 0.49 0.11 0.00 -2.02 0.00 0.00 58.31 56.99 2qxu n LYS 44 Cb 0.49 -1.89 0.04 0.00 -0.02 0.00 0.00 35.03 33.65 2qxu n LYS 44 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2qxu n THR 45 N -2.23 0.00 -3.85 -0.18 -2.24 -1.26 -2.50 114.28 102.01 2qxu n THR 45 Ca 0.01 -0.31 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 2qxu n THR 45 Cb 0.17 1.27 0.03 0.00 -2.10 0.00 0.00 70.33 69.70 2qxu n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qxu n GLY 46 N 1.40 -0.49 3.75 3.38 0.00 -0.54 -4.84 105.19 107.86 2qxu n GLY 46 Ca 0.11 0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 2qxu n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qxu s THR 47 N -3.33 2.77 0.16 2.61 -4.23 -1.26 -4.87 115.64 107.49 2qxu s THR 47 Ca 0.60 0.43 -0.12 0.00 -1.18 0.00 0.00 61.69 61.42 2qxu s THR 47 Cb -0.30 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 70.52 2qxu s THR 47 CO 0.81 -0.16 1.63 0.78 -0.54 0.00 0.00 174.62 177.15 2qxu h ASN 48 N 0.46 0.85 -0.84 3.99 2.35 -1.95 -1.71 115.58 118.73 2qxu h ASN 48 Ca -0.49 -0.28 0.13 0.00 -0.55 0.00 0.00 56.30 55.12 2qxu h ASN 48 Cb 1.28 -0.23 -0.09 0.00 0.05 0.00 0.00 38.32 39.33 2qxu h ASN 48 CO 0.54 0.92 0.45 0.22 -1.65 0.00 0.00 177.43 177.90 2qxu h TYR 49 N 0.76 0.80 0.16 1.19 3.20 -2.00 0.11 116.97 121.19 2qxu h TYR 49 Ca 0.15 0.03 -0.33 0.00 3.14 0.00 0.00 58.73 61.73 2qxu h TYR 49 Cb 0.44 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 38.49 2qxu h TYR 49 CO 0.03 0.23 -1.64 -0.91 -1.64 0.00 0.00 178.16 174.24 2qxu h ASN 50 N 0.68 0.54 0.73 -2.11 2.35 -1.93 -3.40 115.58 112.43 2qxu h ASN 50 Ca 0.45 -0.91 -0.23 0.00 -0.55 0.00 0.00 56.30 55.05 2qxu h ASN 50 Cb 0.57 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2qxu h ASN 50 CO -0.33 1.73 -1.07 0.78 -1.65 0.00 0.00 177.43 176.90 2qxu h ASN 51 N -0.03 0.25 -0.08 5.81 4.21 -1.19 -3.34 115.58 121.20 2qxu h ASN 51 Ca -0.33 -0.25 0.04 0.00 1.21 0.00 0.00 56.30 56.97 2qxu h ASN 51 Cb 1.98 -0.08 -0.06 0.00 -1.12 0.00 0.00 38.32 39.04 2qxu h ASN 51 CO 0.14 1.15 -0.36 1.23 -1.29 0.00 0.00 177.43 178.30 2qxu h GLY 52 N 2.09 -0.57 1.18 2.83 0.00 -0.98 -0.01 103.07 107.60 2qxu h GLY 52 Ca -0.07 0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.71 2qxu h GLY 52 CO 0.16 -0.23 0.54 -2.55 0.00 0.00 0.00 176.54 174.47 2qxu h PRO 53 N -0.46 1.07 -0.55 4.80 0.11 -1.79 0.22 132.00 135.40 2qxu h PRO 53 Ca 0.08 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 2qxu h PRO 53 Cb 0.59 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 2qxu h PRO 53 CO -0.34 0.71 0.16 0.28 -0.21 0.00 0.00 178.00 178.60 2qxu h VAL 54 N 1.10 1.24 -0.39 3.15 2.07 -1.54 -1.09 116.25 120.79 2qxu h VAL 54 Ca 0.31 -0.82 -0.12 0.00 0.82 0.00 0.00 66.70 66.88 2qxu h VAL 54 Cb -0.11 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2qxu h VAL 54 CO -0.07 0.30 -0.26 0.25 0.02 0.00 0.00 177.57 177.81 2qxu h LEU 55 N 0.76 0.83 -0.00 2.57 5.85 -0.54 -1.27 115.31 123.51 2qxu h LEU 55 Ca 0.17 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2qxu h LEU 55 Cb 0.30 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 2qxu h LEU 55 CO -0.00 1.04 -0.01 -1.28 -0.34 0.00 0.00 178.44 177.85 2qxu h SER 56 N 0.69 -0.02 -0.56 1.25 0.87 -0.68 -0.59 113.55 114.51 2qxu h SER 56 Ca 0.09 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 2qxu h SER 56 Cb 0.79 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.74 2qxu h SER 56 CO 0.07 -0.01 0.15 0.03 -0.53 0.00 0.00 176.83 176.54 2qxu h ARG 57 N -0.02 0.92 -0.15 2.24 3.08 -1.10 -1.90 114.38 117.46 2qxu h ARG 57 Ca 0.00 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 2qxu h ARG 57 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2qxu h ARG 57 CO -0.01 0.82 0.05 0.35 -1.07 0.00 0.00 179.97 180.11 2qxu h PHE 58 N 0.89 0.25 -0.65 3.04 3.57 -0.91 -1.37 116.94 121.76 2qxu h PHE 58 Ca 0.19 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2qxu h PHE 58 Cb 0.31 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2qxu h PHE 58 CO 0.02 0.35 0.31 0.28 -2.23 0.00 0.00 178.31 177.04 2qxu h VAL 59 N 0.08 1.22 -0.54 1.41 2.07 -1.00 -1.22 116.25 118.27 2qxu h VAL 59 Ca 0.05 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2qxu h VAL 59 Cb 0.21 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2qxu h VAL 59 CO -0.00 0.26 0.27 -0.61 0.02 0.00 0.00 177.57 177.51 2qxu h GLN 60 N 0.90 0.75 -0.51 1.57 5.75 -1.21 -0.48 115.11 121.88 2qxu h GLN 60 Ca 0.22 -0.08 -0.12 0.00 -0.15 0.00 0.00 58.65 58.52 2qxu h GLN 60 Cb 0.12 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 2qxu h GLN 60 CO -0.03 0.58 -0.13 -0.22 -2.65 0.00 0.00 178.83 176.38 2qxu h LYS 61 N 0.76 0.99 -0.51 1.69 3.64 -0.69 -1.38 116.57 121.07 2qxu h LYS 61 Ca 0.19 -0.38 -0.07 0.00 -1.27 0.00 0.00 60.65 59.11 2qxu h LYS 61 Cb 0.06 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2qxu h LYS 61 CO -0.03 1.06 0.03 0.28 -2.27 0.00 0.00 179.45 178.52 2qxu h VAL 62 N 0.86 1.26 -0.34 2.00 2.07 -0.48 -0.88 116.25 120.74 2qxu h VAL 62 Ca 0.13 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 2qxu h VAL 62 Cb 0.70 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2qxu h VAL 62 CO 0.05 0.37 0.15 -0.07 0.02 0.00 0.00 177.57 178.09 2qxu h LEU 63 N 0.75 0.46 -0.42 2.57 3.38 -1.00 -1.51 115.31 119.54 2qxu h LEU 63 Ca 0.15 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2qxu h LEU 63 Cb 0.48 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2qxu h LEU 63 CO 0.02 0.48 0.10 0.44 0.09 0.00 0.00 178.44 179.57 2qxu h ASP 64 N 0.41 0.64 0.90 -0.43 3.32 -1.15 0.15 116.42 120.26 2qxu h ASP 64 Ca 0.11 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 2qxu h ASP 64 Cb 0.16 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2qxu h ASP 64 CO -0.01 0.71 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.64 2qxu h GLU 65 N 0.55 0.00 0.00 3.56 5.08 -1.06 -3.29 114.58 119.42 2qxu h GLU 65 Ca 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2qxu h GLU 65 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2qxu h GLU 65 CO 0.00 0.24 -1.74 0.25 -1.00 0.00 0.00 179.01 176.76 2qxu n THR 66 N -3.42 0.09 -0.95 1.13 -2.24 -0.58 -4.98 114.28 103.33 2qxu n THR 66 Ca 0.00 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2qxu n THR 66 Cb 0.43 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2qxu n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qxu n GLY 67 N 1.66 0.84 3.77 3.38 0.00 0.53 -5.01 105.19 110.36 2qxu n GLY 67 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2qxu n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxu s ALA 68 N -3.32 2.58 -0.00 4.61 0.00 -1.20 -4.97 121.76 119.46 2qxu s ALA 68 Ca 0.00 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 52.59 2qxu s ALA 68 Cb 0.00 -3.33 -0.27 0.00 0.00 0.00 0.00 23.12 19.52 2qxu s ALA 68 CO 0.00 -1.03 0.83 0.87 0.00 0.00 0.00 175.76 176.44 2qxu h LYS 69 N 0.55 0.23 -4.02 0.00 1.57 -1.95 -3.44 116.57 109.51 2qxu h LYS 69 Ca -0.48 -0.40 -0.13 0.00 -1.87 0.00 0.00 60.65 57.77 2qxu h LYS 69 Cb 1.25 0.15 -0.12 0.00 0.08 0.00 0.00 32.23 33.59 2qxu h LYS 69 CO 0.55 1.08 -0.35 -1.59 -0.57 0.00 0.00 179.45 178.58 2qxu s LYS 70 N -2.62 1.30 0.30 3.15 -2.85 -1.26 -4.80 119.74 112.97 2qxu s LYS 70 Ca -0.09 -1.34 0.10 0.00 -1.00 0.00 0.00 55.97 53.64 2qxu s LYS 70 Cb 0.07 0.37 -0.06 0.00 -2.06 0.00 0.00 37.83 36.16 2qxu s LYS 70 CO 0.85 -0.49 -0.14 0.14 0.10 0.00 0.00 175.35 175.82 2qxu s VAL 71 N -4.04 2.24 0.16 1.79 -7.23 0.04 -4.19 120.40 109.16 2qxu s VAL 71 Ca 0.25 -2.28 0.06 0.00 -1.81 0.00 0.00 61.98 58.20 2qxu s VAL 71 Cb 0.03 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2qxu s VAL 71 CO 0.07 -0.32 0.07 -1.81 -0.31 0.00 0.00 175.10 172.80 2qxu s ASP 72 N -3.53 5.18 -0.02 4.85 1.01 -0.37 -1.05 116.67 122.74 2qxu s ASP 72 Ca 0.30 -0.23 0.04 0.00 0.71 0.00 0.00 52.55 53.37 2qxu s ASP 72 Cb -0.01 -1.25 -0.01 0.00 1.01 0.00 0.00 42.92 42.66 2qxu s ASP 72 CO 0.15 0.09 -0.14 -0.63 0.21 0.00 0.00 175.17 174.85 2qxu s ILE 73 N -1.69 1.09 -0.21 0.77 1.01 0.83 -0.30 121.20 122.70 2qxu s ILE 73 Ca 0.29 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.38 2qxu s ILE 73 Cb -0.10 -0.93 0.04 0.00 0.01 0.00 0.00 42.46 41.49 2qxu s ILE 73 CO 0.21 0.31 -0.14 -0.69 0.00 0.00 0.00 174.94 174.64 2qxu s VAL 74 N -0.17 1.95 0.04 2.92 1.01 -0.82 -0.48 120.40 124.83 2qxu s VAL 74 Ca 0.02 -1.18 0.09 0.00 0.00 0.00 0.00 61.98 60.91 2qxu s VAL 74 Cb -0.07 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2qxu s VAL 74 CO 0.00 0.24 -0.25 0.00 0.00 0.00 0.00 175.10 175.08 2qxu s ALA 75 N 1.27 2.16 -0.06 5.51 0.00 0.27 -0.69 121.76 130.21 2qxu s ALA 75 Ca -0.02 -1.21 0.05 0.00 0.00 0.00 0.00 51.96 50.78 2qxu s ALA 75 Cb -0.16 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 2qxu s ALA 75 CO -0.09 0.51 -0.23 -1.58 0.00 0.00 0.00 175.76 174.38 2qxu s HIS 76 N -0.77 2.50 0.00 0.00 2.46 -0.01 0.37 115.29 119.84 2qxu s HIS 76 Ca 0.11 -0.62 0.00 0.00 0.47 0.00 0.00 55.06 55.02 2qxu s HIS 76 Cb -0.10 -1.62 0.00 0.00 -0.13 0.00 0.00 32.58 30.73 2qxu s HIS 76 CO 0.02 -0.15 0.00 0.45 -2.47 0.00 0.00 174.74 172.59 2qxu n SER 77 N 2.88 0.00 0.32 9.88 2.88 -0.22 -0.15 113.62 129.21 2qxu n SER 77 Ca -0.17 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.57 2qxu n SER 77 Cb 0.52 0.00 1.07 0.00 -0.75 0.00 0.00 64.21 65.05 2qxu n SER 77 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2qxu h MET 78 N 0.00 0.00 0.00 -1.46 1.85 -1.85 0.73 114.93 114.20 2qxu h MET 78 Ca 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2qxu h MET 78 Cb 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 2qxu h MET 78 CO 0.00 0.00 -0.01 0.78 -0.40 0.00 0.00 176.91 177.28 2qxu h GLY 79 N 0.00 0.00 1.07 1.39 0.00 -0.47 -0.80 103.07 104.26 2qxu h GLY 79 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 2qxu h GLY 79 CO -0.00 0.00 -0.17 -1.33 0.00 0.00 0.00 176.54 175.04 2qxu h GLY 80 N 0.05 1.02 0.97 4.60 0.00 -1.02 -0.30 103.07 108.40 2qxu h GLY 80 Ca -0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 47.33 46.40 2qxu h GLY 80 CO 0.00 0.80 0.08 0.00 0.00 0.00 0.00 176.54 177.43 2qxu h ALA 81 N 0.87 0.62 -0.85 3.60 0.00 -1.31 -1.45 119.26 120.74 2qxu h ALA 81 Ca 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2qxu h ALA 81 Cb 0.73 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2qxu h ALA 81 CO 0.06 0.34 0.43 -0.91 0.00 0.00 0.00 179.25 179.17 2qxu h ASN 82 N 0.65 1.10 -0.30 0.00 2.35 -1.03 -0.63 115.58 117.72 2qxu h ASN 82 Ca 0.14 -0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 2qxu h ASN 82 Cb 0.38 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2qxu h ASN 82 CO 0.01 0.92 -0.01 0.74 -1.65 0.00 0.00 177.43 177.43 2qxu h THR 83 N 1.21 1.26 -0.36 2.81 2.02 -0.84 -0.98 112.91 118.04 2qxu h THR 83 Ca 0.30 -0.96 -0.06 0.00 0.77 0.00 0.00 66.41 66.45 2qxu h THR 83 Cb 0.09 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 2qxu h THR 83 CO -0.04 0.31 -0.05 -0.07 0.37 0.00 0.00 175.52 176.04 2qxu h LEU 84 N 0.32 0.56 -0.44 2.58 3.38 -1.01 -1.61 115.31 119.09 2qxu h LEU 84 Ca 0.08 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2qxu h LEU 84 Cb 0.45 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2qxu h LEU 84 CO 0.02 0.66 0.09 0.22 0.09 0.00 0.00 178.44 179.52 2qxu h TYR 85 N 0.55 0.75 -0.61 1.13 3.20 -0.95 0.21 116.97 121.25 2qxu h TYR 85 Ca 0.11 -0.10 0.05 0.00 3.14 0.00 0.00 58.73 61.93 2qxu h TYR 85 Cb 0.43 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.44 2qxu h TYR 85 CO 0.02 0.71 0.34 -0.92 -1.64 0.00 0.00 178.16 176.66 2qxu h TYR 86 N 0.58 0.62 -0.24 -3.82 3.20 -0.70 0.12 116.97 116.74 2qxu h TYR 86 Ca 0.14 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.87 2qxu h TYR 86 Cb 0.35 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.43 2qxu h TYR 86 CO 0.02 0.31 -0.49 0.82 -1.64 0.00 0.00 178.16 177.19 2qxu h ILE 87 N 0.64 1.30 0.12 1.81 2.04 -0.98 -1.89 117.51 120.54 2qxu h ILE 87 Ca 0.26 -1.69 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 2qxu h ILE 87 Cb 0.13 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2qxu h ILE 87 CO -0.16 0.54 -0.06 0.50 0.00 0.00 0.00 178.15 178.98 2qxu h LYS 88 N 0.48 -0.15 0.00 2.37 3.64 -0.28 -3.26 116.57 119.37 2qxu h LYS 88 Ca 0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2qxu h LYS 88 Cb 1.09 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2qxu h LYS 88 CO 0.11 0.33 -1.61 0.09 -2.27 0.00 0.00 179.45 176.10 2qxu n ASN 89 N -4.89 0.78 0.00 4.20 3.02 0.38 -5.01 115.26 113.75 2qxu n ASN 89 Ca -0.08 -0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 2qxu n ASN 89 Cb 0.28 1.65 0.00 0.00 -0.61 0.00 0.00 39.78 41.10 2qxu n ASN 89 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qxu n LEU 90 N -1.98 0.00 -1.66 3.41 4.77 -0.93 -5.03 117.00 115.60 2qxu n LEU 90 Ca -0.02 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.95 2qxu n LEU 90 Cb 0.44 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.82 2qxu n LEU 90 CO 0.38 0.00 0.91 -0.90 -1.33 0.00 0.00 177.39 176.46 2qxu n ASP 91 N 0.00 4.50 0.17 -1.43 5.75 -1.21 -4.54 116.55 119.78 2qxu n ASP 91 Ca 0.00 -3.21 0.13 0.00 -0.01 0.00 0.00 54.79 51.70 2qxu n ASP 91 Cb 0.00 -0.68 0.31 0.00 -1.03 0.00 0.00 41.12 39.72 2qxu n ASP 91 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2qxu h GLY 92 N 2.47 0.00 -0.50 6.12 0.00 -1.57 -3.37 103.07 106.21 2qxu h GLY 92 Ca 0.17 0.00 0.34 0.00 0.00 0.00 0.00 47.33 47.85 2qxu h GLY 92 CO 0.56 0.00 0.82 -1.33 0.00 0.00 0.00 176.54 176.60 2qxu h GLY 93 N 4.09 0.64 -0.41 4.60 0.00 -1.76 -1.68 103.07 108.54 2qxu h GLY 93 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2qxu h GLY 93 CO 0.00 -0.11 -0.19 1.16 0.00 0.00 0.00 176.54 177.40 2qxu n ASN 94 N -4.40 1.89 0.00 0.19 6.94 -1.26 -0.42 115.26 118.19 2qxu n ASN 94 Ca 0.28 -3.06 0.00 0.00 -0.02 0.00 0.00 54.58 51.78 2qxu n ASN 94 Cb 1.19 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 38.20 2qxu n ASN 94 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2qxu n LYS 95 N -1.13 -0.06 -5.10 -3.83 5.02 -0.64 -4.89 118.16 107.53 2qxu n LYS 95 Ca 0.14 -0.58 -0.30 0.00 -2.02 0.00 0.00 58.31 55.56 2qxu n LYS 95 Cb 0.67 -0.87 -0.16 0.00 -0.02 0.00 0.00 35.03 34.65 2qxu n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qxu s VAL 96 N -0.17 1.83 -0.03 -0.18 1.01 -1.15 -0.78 120.40 120.92 2qxu s VAL 96 Ca 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 2qxu s VAL 96 Cb 0.00 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2qxu s VAL 96 CO 0.00 0.51 -0.06 0.00 0.00 0.00 0.00 175.10 175.55 2qxu n ALA 97 N 3.17 0.55 -2.87 5.51 0.00 -0.21 -4.72 120.51 121.94 2qxu n ALA 97 Ca -0.18 -0.31 -0.33 0.00 0.00 0.00 0.00 53.44 52.61 2qxu n ALA 97 Cb 0.52 0.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.86 2qxu n ALA 97 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qxu s ASN 98 N -4.49 4.51 -0.08 0.00 0.01 -1.26 -2.26 114.94 111.37 2qxu s ASN 98 Ca -0.05 -0.16 0.04 0.00 -0.71 0.00 0.00 52.86 51.98 2qxu s ASN 98 Cb 0.01 -1.53 0.00 0.00 0.41 0.00 0.00 41.25 40.14 2qxu s ASN 98 CO 0.07 0.23 -0.19 -0.69 -1.51 0.00 0.00 177.10 175.01 2qxu s VAL 99 N -0.00 1.67 -0.09 1.60 1.01 -0.24 -0.12 120.40 124.23 2qxu s VAL 99 Ca -0.01 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2qxu s VAL 99 Cb -0.14 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.80 2qxu s VAL 99 CO 0.03 0.47 -0.10 -0.69 0.00 0.00 0.00 175.10 174.81 2qxu s VAL 100 N 0.34 1.10 0.03 2.92 1.01 0.37 -1.33 120.40 124.84 2qxu s VAL 100 Ca -0.14 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.50 2qxu s VAL 100 Cb -0.16 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 2qxu s VAL 100 CO 0.06 0.36 -0.12 0.42 0.00 0.00 0.00 175.10 175.82 2qxu s THR 101 N 1.17 3.23 -0.26 3.92 -4.23 -0.25 -0.57 115.64 118.65 2qxu s THR 101 Ca -0.05 -1.03 0.03 0.00 -1.18 0.00 0.00 61.69 59.46 2qxu s THR 101 Cb -0.14 -2.40 0.06 0.00 1.34 0.00 0.00 72.50 71.35 2qxu s THR 101 CO -0.02 0.33 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.52 2qxu s LEU 102 N -1.54 3.44 -1.44 4.79 1.43 0.16 -0.96 118.68 124.56 2qxu s LEU 102 Ca 0.17 -1.40 -0.06 0.00 -1.03 0.00 0.00 54.13 51.80 2qxu s LEU 102 Cb -0.11 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.60 2qxu s LEU 102 CO 0.07 -0.19 0.55 0.61 0.23 0.00 0.00 176.35 177.63 2qxu n GLY 103 N 4.43 -0.51 3.76 -3.19 0.00 0.40 -1.06 105.19 109.03 2qxu n GLY 103 Ca -0.14 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2qxu n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qxu s GLY 104 N -2.70 2.68 -0.72 -0.02 0.00 -1.26 -3.25 107.32 102.05 2qxu s GLY 104 Ca 0.34 1.38 -0.04 0.00 0.00 0.00 0.00 44.72 46.40 2qxu s GLY 104 CO 0.42 2.18 2.54 0.00 0.00 0.00 0.00 173.10 178.23 2qxu n ALA 105 N 1.36 6.52 -0.22 3.20 0.00 -0.59 -3.17 120.51 127.61 2qxu n ALA 105 Ca 0.03 -3.50 -0.00 0.00 0.00 0.00 0.00 53.44 49.97 2qxu n ALA 105 Cb 0.40 -2.25 0.11 0.00 0.00 0.00 0.00 19.45 17.71 2qxu n ALA 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2qxu h ASN 106 N 3.39 0.40 0.00 0.00 2.35 -1.69 -2.51 115.58 117.52 2qxu h ASN 106 Ca 0.49 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.30 2qxu h ASN 106 Cb 0.51 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2qxu h ASN 106 CO 1.09 0.24 0.00 0.54 -1.65 0.00 0.00 177.43 177.66 2qxu n ARG 107 N -4.89 0.57 0.00 0.81 1.74 -0.49 -1.17 116.66 113.24 2qxu n ARG 107 Ca 0.09 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.31 2qxu n ARG 107 Cb 0.24 -1.22 0.65 0.00 -1.02 0.00 0.00 32.46 31.11 2qxu n ARG 107 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qxu n LEU 108 N -0.72 0.03 -0.00 0.55 4.77 -0.94 -4.04 117.00 116.65 2qxu n LEU 108 Ca 0.06 0.40 -0.00 0.00 -0.03 0.00 0.00 56.01 56.44 2qxu n LEU 108 Cb 0.03 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.70 2qxu n LEU 108 CO 0.05 0.01 -0.51 0.41 -1.33 0.00 0.00 177.39 176.02 2qxu n THR 109 N -1.42 0.01 -3.48 -5.08 -1.04 -0.31 -5.09 114.28 97.87 2qxu n THR 109 Ca 0.09 -0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.00 2qxu n THR 109 Cb 0.31 -1.41 -0.02 0.00 -1.82 0.00 0.00 70.33 67.38 2qxu n THR 109 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2qxu s THR 110 N -2.00 0.00 -1.94 12.58 -1.32 -0.89 -5.00 115.64 117.06 2qxu s THR 110 Ca -0.00 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.68 2qxu s THR 110 Cb 0.00 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.44 2qxu s THR 110 CO 0.00 0.00 1.37 0.61 -2.21 0.00 0.00 174.62 174.40 2qxu n GLY 111 N -0.19 2.01 3.47 6.08 0.00 -1.26 -3.23 105.19 112.06 2qxu n GLY 111 Ca -0.12 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 2qxu n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qxu s LYS 112 N -1.20 1.84 -0.96 1.61 1.02 -1.26 -0.02 119.74 120.78 2qxu s LYS 112 Ca 0.37 -1.13 -0.24 0.00 0.02 0.00 0.00 55.97 55.00 2qxu s LYS 112 Cb 0.21 -2.12 0.05 0.00 -0.52 0.00 0.00 37.83 35.45 2qxu s LYS 112 CO 0.28 0.50 1.40 0.00 -0.92 0.00 0.00 175.35 176.61 2qxu s ALA 113 N -1.06 2.74 0.06 5.17 0.00 -0.36 -4.79 121.76 123.52 2qxu s ALA 113 Ca 0.16 -2.10 -0.30 0.00 0.00 0.00 0.00 51.96 49.72 2qxu s ALA 113 Cb -0.10 -4.46 -0.09 0.00 0.00 0.00 0.00 23.12 18.47 2qxu s ALA 113 CO 0.08 -3.53 1.92 -0.51 0.00 0.00 0.00 175.76 173.72 2qxu s LEU 114 N 5.05 4.42 0.50 0.00 1.43 -1.26 -4.77 118.68 124.05 2qxu s LEU 114 Ca 0.43 2.69 0.32 0.00 -1.03 0.00 0.00 54.13 56.54 2qxu s LEU 114 Cb -0.02 -3.54 1.40 0.00 0.03 0.00 0.00 46.19 44.06 2qxu s LEU 114 CO -0.05 -1.04 1.96 1.55 0.23 0.00 0.00 176.35 179.01 2qxu h PRO 115 N 9.96 0.00 0.00 1.29 0.13 -1.85 -3.41 132.00 138.12 2qxu h PRO 115 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2qxu h PRO 115 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2qxu h PRO 115 CO 0.94 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.12 2qxu n GLY 116 N -0.14 -1.94 0.08 1.56 0.00 -1.26 -1.20 105.19 102.29 2qxu n GLY 116 Ca 0.00 -1.59 0.01 0.00 0.00 0.00 0.00 46.02 44.44 2qxu n GLY 116 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qxu n THR 117 N 0.00 0.82 -2.89 2.61 -2.24 0.44 -4.96 114.28 108.06 2qxu n THR 117 Ca 0.00 -0.91 -0.42 0.00 -2.27 0.00 0.00 64.05 60.44 2qxu n THR 117 Cb 0.00 0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 68.78 2qxu n THR 117 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qxu s ASP 118 N -0.84 6.57 0.61 3.42 -1.08 -1.25 -4.90 116.67 119.19 2qxu s ASP 118 Ca 0.03 0.35 0.36 0.00 -0.52 0.00 0.00 52.55 52.77 2qxu s ASP 118 Cb 0.01 -2.43 2.01 0.00 -1.46 0.00 0.00 42.92 41.05 2qxu s ASP 118 CO 0.02 -0.84 2.27 1.55 0.52 0.00 0.00 175.17 178.69 2qxu h PRO 119 N 8.61 0.00 -0.19 4.34 0.13 -1.97 -2.37 132.00 140.55 2qxu h PRO 119 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2qxu h PRO 119 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2qxu h PRO 119 CO 0.96 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.83 2qxu n ASN 120 N -3.45 2.57 -3.18 1.44 3.02 -1.26 -4.86 115.26 109.54 2qxu n ASN 120 Ca -0.03 -1.85 0.04 0.00 -0.03 0.00 0.00 54.58 52.72 2qxu n ASN 120 Cb 0.11 -0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 2qxu n ASN 120 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2qxu s GLN 121 N -1.77 0.35 0.35 3.52 0.74 -0.89 -5.15 119.66 116.82 2qxu s GLN 121 Ca 0.34 0.64 -0.26 0.00 0.05 0.00 0.00 55.36 56.14 2qxu s GLN 121 Cb 0.20 0.36 -0.09 0.00 1.10 0.00 0.00 33.01 34.58 2qxu s GLN 121 CO 0.30 -0.35 1.02 0.15 -0.55 0.00 0.00 175.29 175.86 2qxu s LYS 122 N 2.88 4.38 0.18 1.67 1.02 -1.26 -4.41 119.74 124.19 2qxu s LYS 122 Ca 0.07 1.49 -0.31 0.00 0.02 0.00 0.00 55.97 57.25 2qxu s LYS 122 Cb -0.12 -2.73 -0.09 0.00 -0.52 0.00 0.00 37.83 34.37 2qxu s LYS 122 CO -0.15 0.06 1.43 0.42 -0.92 0.00 0.00 175.35 176.18 2qxu s ILE 123 N -1.57 2.95 -0.12 2.17 1.01 -0.34 -4.99 121.20 120.32 2qxu s ILE 123 Ca 0.53 0.73 -0.06 0.00 0.00 0.00 0.00 60.65 61.85 2qxu s ILE 123 Cb -0.22 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2qxu s ILE 123 CO 0.28 0.08 0.11 -0.76 0.00 0.00 0.00 174.94 174.66 2qxu s LEU 124 N 0.49 4.21 0.07 2.97 1.43 -0.96 -4.64 118.68 122.26 2qxu s LEU 124 Ca 0.63 0.39 0.09 0.00 -1.03 0.00 0.00 54.13 54.20 2qxu s LEU 124 Cb -0.40 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 2qxu s LEU 124 CO 0.35 0.39 -0.23 -0.31 0.23 0.00 0.00 176.35 176.78 2qxu s TYR 125 N -0.92 2.02 -0.25 0.29 1.51 0.40 -1.08 117.35 119.32 2qxu s TYR 125 Ca 0.14 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.78 2qxu s TYR 125 Cb -0.12 -1.16 0.08 0.00 -0.11 0.00 0.00 41.96 40.65 2qxu s TYR 125 CO 0.03 0.17 0.07 0.99 -1.11 0.00 0.00 175.55 175.71 2qxu s THR 126 N -0.93 0.55 -0.39 -0.71 2.01 -0.44 -1.17 115.64 114.56 2qxu s THR 126 Ca 0.09 -0.89 -0.14 0.00 0.31 0.00 0.00 61.69 61.06 2qxu s THR 126 Cb -0.10 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.18 2qxu s THR 126 CO 0.03 -0.46 0.28 -0.55 -0.69 0.00 0.00 174.62 173.23 2qxu s SER 127 N 1.81 6.04 -0.18 3.53 0.15 -0.19 -1.09 113.70 123.77 2qxu s SER 127 Ca 0.04 -0.83 -0.07 0.00 0.70 0.00 0.00 55.95 55.80 2qxu s SER 127 Cb -0.17 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 61.97 2qxu s SER 127 CO -0.19 -0.40 0.04 -0.63 1.20 0.00 0.00 173.24 173.26 2qxu s ILE 128 N 1.67 4.55 0.05 6.45 1.01 -0.13 -0.61 121.20 134.19 2qxu s ILE 128 Ca 0.05 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 2qxu s ILE 128 Cb -0.19 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 2qxu s ILE 128 CO 0.10 0.45 0.14 -0.72 0.00 0.00 0.00 174.94 174.91 2qxu s TYR 129 N 0.52 0.17 -0.07 3.97 -0.85 -0.67 -0.45 117.35 119.97 2qxu s TYR 129 Ca 0.02 -0.49 0.01 0.00 -0.52 0.00 0.00 57.07 56.10 2qxu s TYR 129 Cb -0.13 -0.11 -0.03 0.00 0.38 0.00 0.00 41.96 42.07 2qxu s TYR 129 CO 0.01 -0.42 -0.09 0.45 -1.52 0.00 0.00 175.55 173.98 2qxu s SER 130 N -2.32 4.45 0.25 -0.18 0.15 -1.26 -0.62 113.70 114.17 2qxu s SER 130 Ca -0.02 -0.09 0.22 0.00 0.70 0.00 0.00 55.95 56.76 2qxu s SER 130 Cb 0.01 -1.11 0.98 0.00 -1.71 0.00 0.00 66.02 64.19 2qxu s SER 130 CO -0.06 0.34 1.66 -1.54 1.20 0.00 0.00 173.24 174.84 2qxu n SER 131 N 2.34 0.58 -0.29 5.45 3.41 -0.34 -1.55 113.62 123.22 2qxu n SER 131 Ca -0.18 0.68 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 2qxu n SER 131 Cb 0.53 -0.79 0.39 0.00 -0.26 0.00 0.00 64.21 64.08 2qxu n SER 131 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qxu n ALA 132 N -1.75 3.01 -2.62 7.33 0.00 -1.26 -4.86 120.51 120.37 2qxu n ALA 132 Ca 0.01 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 2qxu n ALA 132 Cb 0.16 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 2qxu n ALA 132 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qxu s ASP 133 N -2.43 6.79 0.00 0.00 -1.08 -0.60 -4.79 116.67 114.56 2qxu s ASP 133 Ca 0.26 0.77 0.15 0.00 -0.52 0.00 0.00 52.55 53.22 2qxu s ASP 133 Cb 0.19 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 39.08 2qxu s ASP 133 CO 0.49 -0.98 0.78 0.23 0.52 0.00 0.00 175.17 176.21 2qxu n MET 134 N 7.12 1.82 -0.04 4.34 2.81 -1.26 -4.29 117.12 127.62 2qxu n MET 134 Ca 0.11 -0.55 -0.12 0.00 -1.81 0.00 0.00 57.70 55.33 2qxu n MET 134 Cb 0.48 -1.24 -0.11 0.00 -0.71 0.00 0.00 33.22 31.64 2qxu n MET 134 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2qxu h ILE 135 N 1.21 1.44 -3.67 2.02 1.08 -1.99 -3.40 117.51 114.19 2qxu h ILE 135 Ca 0.00 -1.87 -0.66 0.00 -0.39 0.00 0.00 64.86 61.93 2qxu h ILE 135 Cb 0.48 2.62 -0.39 0.00 -3.07 0.00 0.00 36.82 36.45 2qxu h ILE 135 CO 0.00 0.45 -0.70 -0.69 -0.69 0.00 0.00 178.15 176.52 2qxu s VAL 136 N -2.62 2.40 0.61 1.67 1.01 -1.26 -5.10 120.40 117.11 2qxu s VAL 136 Ca -0.16 -2.30 -0.19 0.00 0.00 0.00 0.00 61.98 59.33 2qxu s VAL 136 Cb -0.02 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2qxu s VAL 136 CO 0.59 -0.60 1.24 0.23 0.00 0.00 0.00 175.10 176.56 2qxu n MET 137 N 4.30 1.21 0.19 2.72 2.81 -1.26 -4.84 117.12 122.25 2qxu n MET 137 Ca 0.03 0.47 0.16 0.00 -1.81 0.00 0.00 57.70 56.54 2qxu n MET 137 Cb 0.42 -2.47 0.79 0.00 -0.71 0.00 0.00 33.22 31.25 2qxu n MET 137 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2qxu h ASN 138 N 0.75 0.00 0.04 7.83 2.35 -1.86 -2.19 115.58 122.50 2qxu h ASN 138 Ca -0.50 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.24 2qxu h ASN 138 Cb 1.34 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.71 2qxu h ASN 138 CO 0.54 0.00 -0.02 0.10 -1.65 0.00 0.00 177.43 176.39 2qxu h TYR 139 N 0.00 0.00 0.00 1.19 -0.00 -1.96 -1.03 116.97 115.17 2qxu h TYR 139 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.82 2qxu h TYR 139 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.17 2qxu h TYR 139 CO 0.00 0.02 -0.18 -0.07 -0.00 0.00 0.00 178.16 177.93 2qxu h LEU 140 N 0.00 0.00 0.12 0.10 3.38 -1.70 -3.36 115.31 113.85 2qxu h LEU 140 Ca -0.00 -0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 2qxu h LEU 140 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2qxu h LEU 140 CO 0.00 0.00 -1.69 0.28 0.09 0.00 0.00 178.44 177.13 2qxu h SER 141 N 0.00 0.39 -3.09 -0.43 0.02 -1.15 -1.17 113.55 108.13 2qxu h SER 141 Ca 0.00 -0.64 -0.53 0.00 -0.84 0.00 0.00 61.79 59.79 2qxu h SER 141 Cb 0.95 -0.13 0.06 0.00 0.14 0.00 0.00 62.40 63.42 2qxu h SER 141 CO 0.00 1.54 0.87 -0.13 -1.14 0.00 0.00 176.83 177.97 2qxu s ARG 142 N -2.60 4.19 -0.09 3.45 0.52 -1.08 -4.77 118.95 118.58 2qxu s ARG 142 Ca -0.13 2.44 0.04 0.00 -0.52 0.00 0.00 55.73 57.56 2qxu s ARG 142 Cb 0.07 -3.09 -0.01 0.00 0.52 0.00 0.00 34.95 32.43 2qxu s ARG 142 CO 0.83 -0.58 -0.22 -0.51 0.02 0.00 0.00 175.30 174.84 2qxu s LEU 143 N 0.28 2.24 -0.09 2.53 1.43 -1.26 -4.83 118.68 118.97 2qxu s LEU 143 Ca 0.66 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.98 2qxu s LEU 143 Cb -0.45 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 2qxu s LEU 143 CO 0.39 0.20 1.64 -1.81 0.23 0.00 0.00 176.35 177.01 2qxu s ASP 144 N 0.12 6.60 0.00 2.29 1.01 0.98 -2.41 116.67 125.25 2qxu s ASP 144 Ca -0.11 2.10 0.00 0.00 0.71 0.00 0.00 52.55 55.25 2qxu s ASP 144 Cb -0.16 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.24 2qxu s ASP 144 CO 0.06 -1.00 0.00 0.61 0.21 0.00 0.00 175.17 175.05 2qxu n GLY 145 N 4.23 2.41 3.95 0.21 0.00 -1.26 -1.23 105.19 113.50 2qxu n GLY 145 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 2qxu n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxu s ALA 146 N -2.58 3.43 -0.57 4.61 0.00 -1.01 -1.31 121.76 124.32 2qxu s ALA 146 Ca 0.00 -1.11 -0.25 0.00 0.00 0.00 0.00 51.96 50.60 2qxu s ALA 146 Cb 0.00 -2.39 0.04 0.00 0.00 0.00 0.00 23.12 20.77 2qxu s ALA 146 CO 0.00 -1.13 1.01 0.50 0.00 0.00 0.00 175.76 176.14 2qxu s ARG 147 N -5.08 3.35 -0.28 0.00 3.52 -0.63 -4.88 118.95 114.95 2qxu s ARG 147 Ca 0.60 -0.20 -0.14 0.00 -0.13 0.00 0.00 55.73 55.85 2qxu s ARG 147 Cb -0.10 -4.06 -0.04 0.00 -1.56 0.00 0.00 34.95 29.19 2qxu s ARG 147 CO 0.43 -1.58 0.35 -0.80 -0.81 0.00 0.00 175.30 172.88 2qxu s ASN 148 N 2.97 6.21 -0.21 -2.12 0.01 -1.26 -1.02 114.94 119.51 2qxu s ASN 148 Ca 0.33 0.20 0.01 0.00 -0.71 0.00 0.00 52.86 52.69 2qxu s ASN 148 Cb -0.12 -2.20 0.03 0.00 0.41 0.00 0.00 41.25 39.38 2qxu s ASN 148 CO 0.20 -0.18 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.77 2qxu s VAL 149 N 2.02 2.26 -0.16 1.60 1.01 0.22 -4.98 120.40 122.37 2qxu s VAL 149 Ca 0.14 -1.10 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 2qxu s VAL 149 Cb -0.16 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 2qxu s VAL 149 CO 0.10 0.35 0.22 -1.58 0.00 0.00 0.00 175.10 174.19 2qxu s GLN 150 N 1.26 4.08 0.43 2.72 0.74 -1.26 -1.67 119.66 125.96 2qxu s GLN 150 Ca 0.01 -0.03 0.05 0.00 0.05 0.00 0.00 55.36 55.44 2qxu s GLN 150 Cb -0.15 -3.37 -0.06 0.00 1.10 0.00 0.00 33.01 30.53 2qxu s GLN 150 CO -0.09 0.38 0.02 0.96 -0.55 0.00 0.00 175.29 176.00 2qxu s ILE 151 N 0.08 1.65 0.18 -2.34 -4.36 0.21 -4.97 121.20 111.66 2qxu s ILE 151 Ca 0.14 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.57 2qxu s ILE 151 Cb -0.12 -2.74 -0.05 0.00 1.25 0.00 0.00 42.46 40.80 2qxu s ILE 151 CO 0.02 0.00 -0.05 -1.00 0.24 0.00 0.00 174.94 174.15 2qxu s HIS 152 N -2.83 1.38 0.00 1.37 3.76 -1.26 -1.20 115.29 116.50 2qxu s HIS 152 Ca 0.27 -0.85 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 2qxu s HIS 152 Cb 0.07 -0.75 0.00 0.00 1.11 0.00 0.00 32.58 33.01 2qxu s HIS 152 CO 0.14 0.01 0.00 0.41 -0.85 0.00 0.00 174.74 174.44 2qxu n GLY 153 N -0.29 2.68 3.76 -2.22 0.00 -1.26 -4.94 105.19 102.92 2qxu n GLY 153 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 2qxu n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qxu s VAL 154 N -0.73 4.52 1.04 1.61 1.01 -1.26 -4.96 120.40 121.62 2qxu s VAL 154 Ca 0.00 1.67 -0.17 0.00 0.00 0.00 0.00 61.98 63.48 2qxu s VAL 154 Cb 0.00 -4.13 0.23 0.00 0.00 0.00 0.00 36.38 32.49 2qxu s VAL 154 CO 0.00 0.46 1.28 -0.83 0.00 0.00 0.00 175.10 176.01 2qxu s GLY 155 N -0.71 1.74 0.02 4.51 0.00 -1.26 -4.18 107.32 107.44 2qxu s GLY 155 Ca 0.37 -1.19 -0.25 0.00 0.00 0.00 0.00 44.72 43.64 2qxu s GLY 155 CO 0.25 -0.36 1.34 0.84 0.00 0.00 0.00 173.10 175.17 2qxu h HIS 156 N -1.95 -0.29 0.00 1.90 2.76 -1.97 -2.85 115.15 112.75 2qxu h HIS 156 Ca -0.44 -0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 57.57 2qxu h HIS 156 Cb 1.24 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 30.28 2qxu h HIS 156 CO -1.58 0.01 -0.70 0.82 -1.30 0.00 0.00 177.93 175.19 2qxu h ILE 157 N -0.61 1.31 0.00 6.26 1.08 -2.00 -3.16 117.51 120.39 2qxu h ILE 157 Ca -0.03 -2.57 0.00 0.00 -0.39 0.00 0.00 64.86 61.87 2qxu h ILE 157 Cb 0.44 2.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.65 2qxu h ILE 157 CO 0.05 0.69 0.05 1.23 -0.69 0.00 0.00 178.15 179.48 2qxu h GLY 158 N 2.77 0.00 2.00 5.37 0.00 -1.90 -1.21 103.07 110.09 2qxu h GLY 158 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2qxu h GLY 158 CO 0.09 0.00 0.00 1.41 0.00 0.00 0.00 176.54 178.04 2qxu h LEU 159 N 0.00 0.00 -0.24 3.11 3.38 -1.47 -1.65 115.31 118.44 2qxu h LEU 159 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qxu h LEU 159 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2qxu h LEU 159 CO 0.00 0.00 -0.45 0.18 0.09 0.00 0.00 178.44 178.26 2qxu n LEU 160 N -2.35 0.83 -2.65 1.67 4.77 -0.46 -4.27 117.00 114.53 2qxu n LEU 160 Ca 0.00 -0.19 -0.10 0.00 -0.03 0.00 0.00 56.01 55.70 2qxu n LEU 160 Cb 0.14 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2qxu n LEU 160 CO 0.16 0.18 -0.08 -1.22 -1.33 0.00 0.00 177.39 175.10 2qxu n TYR 161 N -1.10 1.39 -5.12 -1.77 4.01 -0.63 -4.14 117.16 109.80 2qxu n TYR 161 Ca 0.08 -2.76 -0.31 0.00 -0.16 0.00 0.00 57.90 54.75 2qxu n TYR 161 Cb 0.35 -0.34 -0.17 0.00 -0.31 0.00 0.00 39.34 38.87 2qxu n TYR 161 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2qxu s SER 162 N -3.23 2.87 0.15 7.72 0.15 -1.18 -5.02 113.70 115.16 2qxu s SER 162 Ca 0.29 -0.51 -0.14 0.00 0.70 0.00 0.00 55.95 56.29 2qxu s SER 162 Cb 0.44 -1.23 0.04 0.00 -1.71 0.00 0.00 66.02 63.55 2qxu s SER 162 CO 0.01 0.15 1.73 0.28 1.20 0.00 0.00 173.24 176.61 2qxu h SER 163 N 6.66 0.66 -0.69 5.45 0.02 -1.96 0.21 113.55 123.90 2qxu h SER 163 Ca -0.23 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.52 2qxu h SER 163 Cb 1.22 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 2qxu h SER 163 CO 0.47 0.61 0.19 -0.61 -1.14 0.00 0.00 176.83 176.36 2qxu h GLN 164 N 0.66 1.10 -0.55 3.45 4.15 -2.00 -2.11 115.11 119.80 2qxu h GLN 164 Ca 0.17 -0.24 -0.09 0.00 0.77 0.00 0.00 58.65 59.25 2qxu h GLN 164 Cb 0.14 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 2qxu h GLN 164 CO -0.02 0.95 -0.01 0.28 -1.93 0.00 0.00 178.83 178.11 2qxu h VAL 165 N 1.05 1.26 -0.48 2.39 2.07 -1.83 -2.81 116.25 117.90 2qxu h VAL 165 Ca 0.22 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.65 2qxu h VAL 165 Cb 0.33 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2qxu h VAL 165 CO -0.00 0.40 0.27 0.78 0.02 0.00 0.00 177.57 179.04 2qxu h ASN 166 N 0.86 0.43 -0.62 0.57 2.35 -0.61 0.43 115.58 118.99 2qxu h ASN 166 Ca 0.16 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.95 2qxu h ASN 166 Cb 0.55 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 2qxu h ASN 166 CO 0.03 0.30 0.41 0.28 -1.65 0.00 0.00 177.43 176.80 2qxu h SER 167 N 0.55 0.64 0.54 5.81 0.02 -1.25 -0.94 113.55 118.91 2qxu h SER 167 Ca 0.20 -0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 60.92 2qxu h SER 167 Cb 0.05 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2qxu h SER 167 CO -0.11 0.44 -0.96 -0.07 -1.14 0.00 0.00 176.83 175.00 2qxu h LEU 168 N 0.74 0.35 -0.41 5.07 3.38 -1.13 -2.77 115.31 120.54 2qxu h LEU 168 Ca 0.24 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2qxu h LEU 168 Cb 0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2qxu h LEU 168 CO -0.07 1.12 0.18 0.40 0.09 0.00 0.00 178.44 180.17 2qxu h ILE 169 N 0.13 1.19 -0.15 1.22 2.04 -0.12 -1.41 117.51 120.42 2qxu h ILE 169 Ca -0.07 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.28 2qxu h ILE 169 Cb 1.61 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 2qxu h ILE 169 CO 0.15 0.20 -0.07 0.50 0.00 0.00 0.00 178.15 178.94 2qxu h LYS 170 N 0.51 -0.05 -0.49 2.37 3.64 -1.18 0.69 116.57 122.05 2qxu h LYS 170 Ca 0.14 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.57 2qxu h LYS 170 Cb 0.16 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 2qxu h LYS 170 CO -0.01 -0.04 0.23 0.93 -2.27 0.00 0.00 179.45 178.29 2qxu h GLU 171 N -0.06 0.44 -0.10 1.90 5.08 -1.29 -0.73 114.58 119.82 2qxu h GLU 171 Ca 0.08 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2qxu h GLU 171 Cb 0.18 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2qxu h GLU 171 CO -0.18 0.29 0.04 0.78 -1.00 0.00 0.00 179.01 178.94 2qxu h GLY 172 N 0.46 0.12 2.00 -3.84 0.00 -0.64 0.35 103.07 101.52 2qxu h GLY 172 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2qxu h GLY 172 CO -0.17 0.02 0.00 1.41 0.00 0.00 0.00 176.54 177.80 2qxu h LEU 173 N 0.09 0.00 -2.51 3.11 3.38 -0.57 -1.55 115.31 117.26 2qxu h LEU 173 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2qxu h LEU 173 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2qxu h LEU 173 CO -0.04 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.08 2qxu n ASN 174 N -3.01 3.79 -0.26 -0.43 3.02 -0.31 -4.87 115.26 113.19 2qxu n ASN 174 Ca -0.00 -2.55 -0.02 0.00 -0.03 0.00 0.00 54.58 51.97 2qxu n ASN 174 Cb 0.25 -0.61 -0.00 0.00 -0.61 0.00 0.00 39.78 38.81 2qxu n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qxu n GLY 175 N 0.36 0.30 1.89 7.41 0.00 -0.59 -4.96 105.19 109.61 2qxu n GLY 175 Ca 0.16 -0.81 0.03 0.00 0.00 0.00 0.00 46.02 45.41 2qxu n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qxu n GLY 176 N -1.19 3.10 0.00 -0.02 0.00 0.12 -4.95 105.19 102.25 2qxu n GLY 176 Ca -0.03 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2qxu n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qxu n GLY 177 N 0.42 0.34 3.11 -0.02 0.00 -1.26 -4.66 105.19 103.12 2qxu n GLY 177 Ca 0.30 -1.88 -0.07 0.00 0.00 0.00 0.00 46.02 44.37 2qxu n GLY 177 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qxu s GLN 178 N -1.99 0.67 -0.30 1.61 -0.21 -0.32 -4.74 119.66 114.39 2qxu s GLN 178 Ca 0.00 -1.21 -0.00 0.00 0.02 0.00 0.00 55.36 54.17 2qxu s GLN 178 Cb 0.00 0.23 0.19 0.00 1.00 0.00 0.00 33.01 34.43 2qxu s GLN 178 CO 0.00 -0.15 0.76 1.21 -2.12 0.00 0.00 175.29 175.00 2qxu s ASN 179 N -2.93 -1.18 -0.19 5.90 3.84 -1.06 -0.45 114.94 118.86 2qxu s ASN 179 Ca 0.09 0.10 0.07 0.00 0.21 0.00 0.00 52.86 53.33 2qxu s ASN 179 Cb 0.08 1.73 0.51 0.00 -0.55 0.00 0.00 41.25 43.01 2qxu s ASN 179 CO -0.09 -0.21 1.40 0.35 -2.79 0.00 0.00 177.10 175.76 2qxu n THR 180 N 5.24 1.99 0.70 -5.21 -2.24 -0.42 -5.01 114.28 109.32 2qxu n THR 180 Ca 0.07 -1.01 0.08 0.00 -2.27 0.00 0.00 64.05 60.92 2qxu n THR 180 Cb 0.56 -0.44 0.07 0.00 -2.10 0.00 0.00 70.33 68.41 2qxu n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09