#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 5.04 0.62 0.41 0.01 -1.26 -4.97 114.94 114.80 2qxu s ASN 4 Ca 0.00 1.80 -0.18 0.00 -0.71 0.00 0.00 52.86 53.76 2qxu s ASN 4 Cb 0.00 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.12 2qxu s ASN 4 CO 0.00 -1.67 1.24 -2.84 -1.51 0.00 0.00 177.10 172.32 2qxu s PRO 5 N -4.68 2.77 -0.15 -0.60 0.02 -1.26 -4.67 135.00 126.43 2qxu s PRO 5 Ca 0.62 1.91 -0.02 0.00 0.02 0.00 0.00 61.00 63.53 2qxu s PRO 5 Cb -0.17 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 2qxu s PRO 5 CO 0.50 -1.39 -0.08 0.08 -0.33 0.00 0.00 177.00 175.78 2qxu s VAL 6 N -1.54 3.46 -0.26 3.83 1.01 -0.08 -1.28 120.40 125.53 2qxu s VAL 6 Ca 0.79 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.20 2qxu s VAL 6 Cb -0.33 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 2qxu s VAL 6 CO 0.36 0.50 0.06 -0.69 0.00 0.00 0.00 175.10 175.33 2qxu s VAL 7 N 0.48 4.04 -0.20 2.92 1.01 -0.01 0.11 120.40 128.75 2qxu s VAL 7 Ca -0.06 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 2qxu s VAL 7 Cb -0.15 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 2qxu s VAL 7 CO 0.04 0.26 0.19 -0.04 0.00 0.00 0.00 175.10 175.54 2qxu s MET 8 N 1.55 4.19 -0.28 2.72 -1.94 0.21 -2.07 119.30 123.68 2qxu s MET 8 Ca 0.05 -0.13 0.01 0.00 -1.71 0.00 0.00 55.69 53.91 2qxu s MET 8 Cb -0.16 -3.45 0.05 0.00 2.01 0.00 0.00 34.83 33.29 2qxu s MET 8 CO 0.02 0.23 -0.06 0.08 -0.01 0.00 0.00 175.02 175.28 2qxu s VAL 9 N 0.55 2.59 0.87 -6.03 1.01 -0.05 -1.83 120.40 117.51 2qxu s VAL 9 Ca 0.11 -1.50 -0.12 0.00 0.00 0.00 0.00 61.98 60.46 2qxu s VAL 9 Cb -0.12 -2.50 0.11 0.00 0.00 0.00 0.00 36.38 33.87 2qxu s VAL 9 CO 0.01 -0.06 1.13 -1.38 0.00 0.00 0.00 175.10 174.80 2qxu s HIS 10 N 1.18 2.65 0.00 5.22 -3.43 -1.26 -1.01 115.29 118.64 2qxu s HIS 10 Ca -0.07 0.90 0.00 0.00 -0.80 0.00 0.00 55.06 55.09 2qxu s HIS 10 Cb -0.20 -3.35 0.00 0.00 -1.43 0.00 0.00 32.58 27.61 2qxu s HIS 10 CO -0.03 -2.15 0.00 0.41 -2.00 0.00 0.00 174.74 170.97 2qxu n GLY 11 N -2.36 3.28 3.65 -1.38 0.00 -1.13 -3.33 105.19 103.93 2qxu n GLY 11 Ca 0.07 -2.06 -0.47 0.00 0.00 0.00 0.00 46.02 43.56 2qxu n GLY 11 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qxu n ILE 12 N -0.15 0.01 -1.09 -0.61 5.41 -1.26 -0.67 119.36 120.99 2qxu n ILE 12 Ca 0.00 -0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 2qxu n ILE 12 Cb 0.00 -1.40 -0.01 0.00 -0.71 0.00 0.00 39.64 37.51 2qxu n ILE 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qxu n GLY 13 N 3.24 0.43 1.67 7.39 0.00 -0.11 -4.97 105.19 112.83 2qxu n GLY 13 Ca 0.17 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.38 0.30 3.51 -0.02 0.00 0.15 -5.13 105.19 103.63 2qxu n GLY 14 Ca -0.03 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.16 -1.67 0.49 4.61 0.00 -1.26 -4.89 121.76 115.89 2qxu s ALA 15 Ca 0.29 0.62 0.23 0.00 0.00 0.00 0.00 51.96 53.10 2qxu s ALA 15 Cb -0.01 0.68 1.28 0.00 0.00 0.00 0.00 23.12 25.07 2qxu s ALA 15 CO 0.20 -0.78 1.95 0.66 0.00 0.00 0.00 175.76 177.79 2qxu h SER 16 N 2.00 0.15 0.48 0.00 4.64 -1.87 -0.04 113.55 118.89 2qxu h SER 16 Ca -0.27 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2qxu h SER 16 Cb 1.27 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2qxu h SER 16 CO 0.33 0.07 0.00 2.22 -0.87 0.00 0.00 176.83 178.58 2qxu n PHE 17 N -4.40 0.33 0.28 4.77 1.16 -1.26 -2.30 117.46 116.03 2qxu n PHE 17 Ca 0.13 0.14 0.12 0.00 -1.87 0.00 0.00 57.45 55.97 2qxu n PHE 17 Cb 0.65 -0.72 0.79 0.00 -1.61 0.00 0.00 39.48 38.58 2qxu n PHE 17 CO 0.00 0.00 0.00 -0.91 -1.87 0.00 0.00 176.76 173.98 2qxu h ASN 18 N 0.00 0.00 -0.42 5.98 2.35 -1.41 -2.42 115.58 119.66 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 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2qxu h ASN 18 CO 0.00 0.02 0.00 0.49 -1.65 0.00 0.00 177.43 176.29 2qxu n PHE 19 N -4.11 0.65 -0.21 1.19 3.72 -0.97 -4.46 117.46 113.27 2qxu n PHE 19 Ca -0.03 -0.30 0.02 0.00 -0.05 0.00 0.00 57.45 57.09 2qxu n PHE 19 Cb 0.10 -0.04 0.12 0.00 -0.94 0.00 0.00 39.48 38.72 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 3.70 0.76 -0.46 4.37 0.00 -1.64 0.55 119.26 126.54 2qxu h ALA 20 Ca 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2qxu h ALA 20 Cb 0.67 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2qxu h ALA 20 CO 0.04 -0.32 -0.07 0.78 0.00 0.00 0.00 179.25 179.68 2qxu h GLY 21 N 0.25 0.93 1.50 0.00 0.00 -1.81 -2.13 103.07 101.81 2qxu h GLY 21 Ca 0.34 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 2qxu h GLY 21 CO -0.44 0.68 -0.26 -2.22 0.00 0.00 0.00 176.54 174.31 2qxu h ILE 22 N 0.71 1.27 0.16 2.60 2.04 -1.60 -1.44 117.51 121.25 2qxu h ILE 22 Ca 0.12 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 2qxu h ILE 22 Cb 0.61 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2qxu h ILE 22 CO 0.04 0.43 -0.08 0.11 0.00 0.00 0.00 178.15 178.65 2qxu h LYS 23 N 0.51 -0.21 -0.98 2.37 1.57 -0.77 -0.50 116.57 118.55 2qxu h LYS 23 Ca 0.07 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 2qxu h LYS 23 Cb 0.71 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.00 2qxu h LYS 23 CO 0.05 -0.02 0.63 0.77 -0.57 0.00 0.00 179.45 180.31 2qxu h SER 24 N -0.37 0.99 0.17 0.86 0.02 -1.26 -1.58 113.55 112.38 2qxu h SER 24 Ca -0.02 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2qxu h SER 24 Cb 0.29 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2qxu h SER 24 CO 0.04 0.61 -0.08 0.22 -1.14 0.00 0.00 176.83 176.48 2qxu h TYR 25 N 1.11 -0.21 -0.99 3.45 3.20 -1.01 -2.27 116.97 120.25 2qxu h TYR 25 Ca 0.44 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.33 2qxu h TYR 25 Cb 0.23 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.51 2qxu h TYR 25 CO -0.01 -0.00 0.65 -0.07 -1.64 0.00 0.00 178.16 177.09 2qxu h LEU 26 N -0.39 1.09 -0.74 2.82 3.38 -0.72 -1.50 115.31 119.26 2qxu h LEU 26 Ca -0.02 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2qxu h LEU 26 Cb 0.30 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2qxu h LEU 26 CO 0.04 0.76 0.48 0.58 0.09 0.00 0.00 178.44 180.39 2qxu h VAL 27 N 1.27 1.16 0.00 1.22 2.07 -1.22 -0.26 116.25 120.49 2qxu h VAL 27 Ca 0.39 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2qxu h VAL 27 Cb -0.04 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 2qxu h VAL 27 CO -0.11 0.18 -0.04 0.28 0.02 0.00 0.00 177.57 177.90 2qxu h SER 28 N 0.97 0.00 -0.32 0.57 0.02 -0.68 -1.82 113.55 112.29 2qxu h SER 28 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2qxu h SER 28 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2qxu h SER 28 CO -0.08 0.04 0.00 0.00 -1.14 0.00 0.00 176.83 175.65 2qxu n GLN 29 N -3.40 2.28 0.00 3.45 1.13 -0.20 -4.95 117.38 115.68 2qxu n GLN 29 Ca -0.02 -1.92 0.00 0.00 -1.94 0.00 0.00 57.00 53.11 2qxu n GLN 29 Cb 0.16 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.03 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 1.39 0.86 3.78 1.08 0.00 -0.68 -5.07 105.19 106.56 2qxu n GLY 30 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 3.50 0.03 1.61 0.51 -0.63 -4.99 118.94 116.97 2qxu s TRP 31 Ca 0.00 1.71 -0.30 0.00 -2.12 0.00 0.00 56.10 55.39 2qxu s TRP 31 Cb 0.00 -3.01 -0.04 0.00 -0.81 0.00 0.00 33.47 29.61 2qxu s TRP 31 CO 0.00 -0.16 1.08 0.45 -0.51 0.00 0.00 176.95 177.81 2qxu s SER 32 N -1.61 7.24 0.58 2.95 0.15 -1.26 -4.08 113.70 117.68 2qxu s SER 32 Ca 0.54 1.82 0.32 0.00 0.70 0.00 0.00 55.95 59.33 2qxu s SER 32 Cb -0.20 -2.57 1.82 0.00 -1.71 0.00 0.00 66.02 63.36 2qxu s SER 32 CO 0.25 -0.35 2.21 -0.09 1.20 0.00 0.00 173.24 176.46 2qxu h ARG 33 N 6.77 0.00 -0.01 5.44 2.43 -1.94 -1.20 114.38 125.87 2qxu h ARG 33 Ca -0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2qxu h ARG 33 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2qxu h ARG 33 CO 0.78 0.04 -0.02 -0.25 -1.51 0.00 0.00 179.97 179.00 2qxu n ASP 34 N -3.58 0.60 -0.45 -3.80 8.00 -1.26 -3.40 116.55 112.65 2qxu n ASP 34 Ca -0.02 -1.06 0.07 0.00 0.71 0.00 0.00 54.79 54.49 2qxu n ASP 34 Cb 0.14 -0.02 0.18 0.00 -0.02 0.00 0.00 41.12 41.40 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 -0.61 1.64 -4.04 -1.24 5.02 -0.45 -4.93 118.16 113.55 2qxu n LYS 35 Ca 0.20 -2.90 -0.34 0.00 -2.02 0.00 0.00 58.31 53.26 2qxu n LYS 35 Cb 0.23 -1.61 -0.15 0.00 -0.02 0.00 0.00 35.03 33.47 2qxu n LYS 35 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qxu s LEU 36 N -3.02 2.70 0.12 -0.35 1.43 -1.22 -0.91 118.68 117.43 2qxu s LEU 36 Ca 0.36 -0.77 0.10 0.00 -1.03 0.00 0.00 54.13 52.79 2qxu s LEU 36 Cb 0.33 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 2qxu s LEU 36 CO 0.00 -0.06 -0.24 -0.31 0.23 0.00 0.00 176.35 175.98 2qxu s TYR 37 N 1.30 2.03 -0.06 0.29 1.51 0.12 -4.98 117.35 117.57 2qxu s TYR 37 Ca 0.02 -0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 55.68 2qxu s TYR 37 Cb -0.15 -1.10 0.02 0.00 -0.11 0.00 0.00 41.96 40.63 2qxu s TYR 37 CO -0.08 0.28 -0.03 0.00 -1.11 0.00 0.00 175.55 174.61 2qxu s ALA 38 N -1.17 0.72 0.58 3.71 0.00 -1.26 0.66 121.76 125.00 2qxu s ALA 38 Ca 0.10 -0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.86 2qxu s ALA 38 Cb -0.10 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 2qxu s ALA 38 CO 0.05 -0.22 0.95 0.54 0.00 0.00 0.00 175.76 177.08 2qxu s VAL 39 N 1.39 4.50 -0.19 0.00 0.11 -0.76 -4.81 120.40 120.64 2qxu s VAL 39 Ca -0.04 0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 59.52 2qxu s VAL 39 Cb -0.13 -3.77 0.05 0.00 -1.53 0.00 0.00 36.38 31.00 2qxu s VAL 39 CO -0.03 -0.92 -0.01 -1.81 -3.33 0.00 0.00 175.10 169.00 2qxu s ASP 40 N -4.19 3.08 0.09 3.54 1.01 -1.26 -3.70 116.67 115.24 2qxu s ASP 40 Ca 0.53 -0.84 -0.22 0.00 0.71 0.00 0.00 52.55 52.73 2qxu s ASP 40 Cb -0.11 -0.83 -0.07 0.00 1.01 0.00 0.00 42.92 42.92 2qxu s ASP 40 CO 0.50 -0.25 0.67 -0.36 0.21 0.00 0.00 175.17 175.94 2qxu s PHE 41 N 1.68 3.82 -0.04 4.23 0.08 -1.26 -4.97 117.98 121.51 2qxu s PHE 41 Ca -0.02 1.41 0.14 0.00 0.12 0.00 0.00 56.93 58.58 2qxu s PHE 41 Cb -0.17 -2.65 0.08 0.00 -0.57 0.00 0.00 43.02 39.72 2qxu s PHE 41 CO -0.07 0.49 1.45 0.11 -0.10 0.00 0.00 175.22 177.09 2qxu h TRP 42 N 4.77 0.00 -2.27 0.36 5.08 -1.99 -3.40 115.95 118.50 2qxu h TRP 42 Ca -0.47 0.00 -0.65 0.00 1.08 0.00 0.00 58.89 58.85 2qxu h TRP 42 Cb 1.21 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 27.22 2qxu h TRP 42 CO 0.66 0.60 0.86 0.34 -1.28 0.00 0.00 178.44 179.62 2qxu s ASP 43 N -6.52 6.43 0.00 0.11 2.15 -1.26 -4.86 116.67 112.72 2qxu s ASP 43 Ca 0.03 -1.52 0.14 0.00 0.43 0.00 0.00 52.55 51.63 2qxu s ASP 43 Cb 0.09 -2.44 0.70 0.00 -0.30 0.00 0.00 42.92 40.96 2qxu s ASP 43 CO 0.76 -1.30 1.38 0.29 -0.17 0.00 0.00 175.17 176.12 2qxu n LYS 44 N 7.46 0.18 0.00 4.34 4.76 -1.26 -1.20 118.16 132.44 2qxu n LYS 44 Ca 0.15 0.16 0.14 0.00 -2.87 0.00 0.00 58.31 55.89 2qxu n LYS 44 Cb 0.48 -1.50 0.52 0.00 -1.84 0.00 0.00 35.03 32.69 2qxu n LYS 44 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2qxu n THR 45 N -1.30 0.00 -2.53 -0.18 -2.24 -1.26 -0.94 114.28 105.83 2qxu n THR 45 Ca 0.06 -0.09 -0.21 0.00 -2.27 0.00 0.00 64.05 61.55 2qxu n THR 45 Cb 0.12 0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 1.31 -0.51 3.76 3.38 0.00 -0.34 -4.85 105.19 107.95 2qxu n GLY 46 Ca 0.13 0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.07 2.57 0.28 2.61 -4.23 -1.26 -4.84 115.64 107.69 2qxu s THR 47 Ca 0.06 0.45 -0.01 0.00 -1.18 0.00 0.00 61.69 61.01 2qxu s THR 47 Cb -0.03 -3.24 0.14 0.00 1.34 0.00 0.00 72.50 70.71 2qxu s THR 47 CO 0.08 0.02 1.80 0.78 -0.54 0.00 0.00 174.62 176.76 2qxu h ASN 48 N 2.02 0.75 -0.61 3.99 2.35 -1.94 -1.01 115.58 121.12 2qxu h ASN 48 Ca -0.50 -0.15 0.12 0.00 -0.55 0.00 0.00 56.30 55.21 2qxu h ASN 48 Cb 1.27 -0.20 -0.09 0.00 0.05 0.00 0.00 38.32 39.35 2qxu h ASN 48 CO 0.60 0.77 0.13 0.22 -1.65 0.00 0.00 177.43 177.50 2qxu h TYR 49 N 0.75 0.21 0.11 1.19 3.20 -2.00 0.13 116.97 120.55 2qxu h TYR 49 Ca 0.16 0.04 -0.29 0.00 3.14 0.00 0.00 58.73 61.77 2qxu h TYR 49 Cb 0.36 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2qxu h TYR 49 CO 0.02 -0.04 -1.51 -0.91 -1.64 0.00 0.00 178.16 174.08 2qxu h ASN 50 N 0.26 0.36 0.76 -2.11 2.35 -1.92 -3.40 115.58 111.88 2qxu h ASN 50 Ca 0.32 -0.84 -0.15 0.00 -0.55 0.00 0.00 56.30 55.08 2qxu h ASN 50 Cb 0.48 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 2qxu h ASN 50 CO -0.41 1.65 -0.74 0.78 -1.65 0.00 0.00 177.43 177.06 2qxu h ASN 51 N -0.30 0.00 0.46 5.81 4.21 -1.13 -3.27 115.58 121.37 2qxu h ASN 51 Ca -0.33 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.17 2qxu h ASN 51 Cb 1.77 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.95 2qxu h ASN 51 CO 0.04 0.74 -0.42 1.23 -1.29 0.00 0.00 177.43 177.73 2qxu h GLY 52 N 2.26 -1.03 1.42 2.83 0.00 -0.93 -0.09 103.07 107.54 2qxu h GLY 52 Ca -0.01 0.48 0.02 0.00 0.00 0.00 0.00 47.33 47.82 2qxu h GLY 52 CO 0.10 -0.34 0.35 -2.55 0.00 0.00 0.00 176.54 174.10 2qxu h PRO 53 N -0.88 0.64 -0.46 4.80 0.11 -1.77 -0.76 132.00 133.67 2qxu h PRO 53 Ca -0.05 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 2qxu h PRO 53 Cb 0.77 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 2qxu h PRO 53 CO -0.04 0.43 0.05 0.28 -0.21 0.00 0.00 178.00 178.51 2qxu h VAL 54 N 0.66 1.25 -0.48 3.15 2.07 -1.52 -2.10 116.25 119.28 2qxu h VAL 54 Ca 0.20 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 2qxu h VAL 54 Cb 0.01 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2qxu h VAL 54 CO -0.05 0.33 0.10 0.25 0.02 0.00 0.00 177.57 178.22 2qxu h LEU 55 N 0.64 0.75 -0.26 2.57 5.85 -0.44 -1.68 115.31 122.74 2qxu h LEU 55 Ca 0.14 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.66 2qxu h LEU 55 Cb 0.43 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 2qxu h LEU 55 CO 0.01 0.81 -0.04 -1.28 -0.34 0.00 0.00 178.44 177.60 2qxu h SER 56 N 0.67 -0.18 -0.53 1.25 0.87 -0.99 -0.12 113.55 114.51 2qxu h SER 56 Ca 0.15 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.72 2qxu h SER 56 Cb 0.36 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 2qxu h SER 56 CO 0.01 -0.06 0.14 0.03 -0.53 0.00 0.00 176.83 176.41 2qxu h ARG 57 N 0.03 0.89 -0.09 2.24 3.08 -1.25 -1.48 114.38 117.80 2qxu h ARG 57 Ca 0.12 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2qxu h ARG 57 Cb 0.18 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2qxu h ARG 57 CO -0.24 0.80 0.03 0.35 -1.07 0.00 0.00 179.97 179.84 2qxu h PHE 58 N 0.86 0.15 -0.62 3.04 3.57 -0.70 -1.32 116.94 121.91 2qxu h PHE 58 Ca 0.19 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.67 2qxu h PHE 58 Cb 0.32 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 2qxu h PHE 58 CO 0.02 0.30 0.41 0.28 -2.23 0.00 0.00 178.31 177.09 2qxu h VAL 59 N -0.05 1.16 -0.96 1.41 2.07 -0.89 -1.18 116.25 117.81 2qxu h VAL 59 Ca 0.03 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.26 2qxu h VAL 59 Cb 0.22 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 2qxu h VAL 59 CO -0.00 0.16 0.62 -0.61 0.02 0.00 0.00 177.57 177.76 2qxu h GLN 60 N 0.84 1.27 -0.25 1.57 5.75 -1.11 -0.53 115.11 122.65 2qxu h GLN 60 Ca 0.23 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.65 2qxu h GLN 60 Cb -0.09 -0.28 -0.02 0.00 1.07 0.00 0.00 27.48 28.16 2qxu h GLN 60 CO -0.05 0.85 0.15 -0.22 -2.65 0.00 0.00 178.83 176.91 2qxu h LYS 61 N 1.30 0.30 -0.40 1.69 3.64 -0.63 -1.32 116.57 121.16 2qxu h LYS 61 Ca 0.35 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.73 2qxu h LYS 61 Cb -0.13 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 2qxu h LYS 61 CO -0.07 0.20 0.24 0.28 -2.27 0.00 0.00 179.45 177.83 2qxu h VAL 62 N 0.31 1.05 -0.64 2.00 2.07 -0.45 -0.34 116.25 120.26 2qxu h VAL 62 Ca 0.10 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2qxu h VAL 62 Cb -0.01 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 2qxu h VAL 62 CO -0.04 0.09 0.36 -0.07 0.02 0.00 0.00 177.57 177.93 2qxu h LEU 63 N 0.48 0.79 -0.39 2.57 3.38 -0.90 -1.43 115.31 119.82 2qxu h LEU 63 Ca 0.16 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2qxu h LEU 63 Cb -0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2qxu h LEU 63 CO -0.07 0.65 -0.06 0.44 0.09 0.00 0.00 178.44 179.49 2qxu h ASP 64 N 0.87 0.73 1.26 -0.43 3.32 -0.97 0.31 116.42 121.51 2qxu h ASP 64 Ca 0.23 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2qxu h ASP 64 Cb 0.02 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.38 2qxu h ASP 64 CO -0.04 0.90 0.00 -0.33 -1.72 0.00 0.00 179.24 178.05 2qxu h GLU 65 N 0.54 0.00 0.00 3.56 5.08 -0.93 -3.27 114.58 119.55 2qxu h GLU 65 Ca 0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2qxu h GLU 65 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2qxu h GLU 65 CO 0.03 0.00 -1.47 0.25 -1.00 0.00 0.00 179.01 176.82 2qxu n THR 66 N -2.39 0.02 -0.99 1.13 -2.24 -0.55 -5.00 114.28 104.27 2qxu n THR 66 Ca 0.04 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2qxu n THR 66 Cb 0.37 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.94 0.55 3.82 3.38 0.00 0.11 -5.02 105.19 109.97 2qxu n GLY 67 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.31 2.81 -0.02 4.61 0.00 -1.17 -4.99 121.76 120.70 2qxu s ALA 68 Ca 0.00 0.24 -0.08 0.00 0.00 0.00 0.00 51.96 52.12 2qxu s ALA 68 Cb 0.00 -3.19 -0.30 0.00 0.00 0.00 0.00 23.12 19.64 2qxu s ALA 68 CO 0.00 -0.81 0.79 0.87 0.00 0.00 0.00 175.76 176.62 2qxu h LYS 69 N 0.17 0.34 -4.26 0.00 1.79 -1.95 -3.45 116.57 109.21 2qxu h LYS 69 Ca -0.46 -0.58 -0.15 0.00 -2.18 0.00 0.00 60.65 57.28 2qxu h LYS 69 Cb 1.21 0.22 -0.15 0.00 -1.58 0.00 0.00 32.23 31.93 2qxu h LYS 69 CO 0.58 1.23 -0.58 0.15 -1.08 0.00 0.00 179.45 179.75 2qxu s LYS 70 N -2.60 0.90 0.38 3.15 1.02 -1.26 -4.72 119.74 116.61 2qxu s LYS 70 Ca -0.12 -1.32 0.08 0.00 0.02 0.00 0.00 55.97 54.63 2qxu s LYS 70 Cb 0.06 0.26 -0.07 0.00 -0.52 0.00 0.00 37.83 37.57 2qxu s LYS 70 CO 0.86 -0.26 -0.02 0.14 -0.92 0.00 0.00 175.35 175.15 2qxu s VAL 71 N -4.00 2.19 0.16 3.17 -7.23 0.25 -4.29 120.40 110.65 2qxu s VAL 71 Ca 0.18 -2.06 0.08 0.00 -1.81 0.00 0.00 61.98 58.37 2qxu s VAL 71 Cb 0.07 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 2qxu s VAL 71 CO -0.02 -0.10 -0.05 -1.81 -0.31 0.00 0.00 175.10 172.81 2qxu s ASP 72 N -3.68 4.52 -0.02 4.85 1.01 -0.40 -1.43 116.67 121.52 2qxu s ASP 72 Ca 0.34 -0.45 0.05 0.00 0.71 0.00 0.00 52.55 53.20 2qxu s ASP 72 Cb 0.05 -0.88 -0.01 0.00 1.01 0.00 0.00 42.92 43.09 2qxu s ASP 72 CO 0.18 0.11 -0.17 -0.63 0.21 0.00 0.00 175.17 174.88 2qxu s ILE 73 N -1.61 1.31 -0.20 0.77 1.01 0.34 -0.83 121.20 121.99 2qxu s ILE 73 Ca 0.25 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.21 2qxu s ILE 73 Cb -0.09 -1.10 0.04 0.00 0.01 0.00 0.00 42.46 41.32 2qxu s ILE 73 CO 0.16 0.37 -0.12 -0.69 0.00 0.00 0.00 174.94 174.67 2qxu s VAL 74 N -0.35 1.78 0.01 2.92 1.01 -0.88 -0.41 120.40 124.48 2qxu s VAL 74 Ca 0.06 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 61.03 2qxu s VAL 74 Cb -0.07 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 2qxu s VAL 74 CO -0.00 0.21 -0.22 0.00 0.00 0.00 0.00 175.10 175.08 2qxu s ALA 75 N 1.34 1.87 -0.11 5.51 0.00 0.25 -0.87 121.76 129.75 2qxu s ALA 75 Ca -0.01 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.93 2qxu s ALA 75 Cb -0.16 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2qxu s ALA 75 CO -0.09 0.45 -0.12 -1.58 0.00 0.00 0.00 175.76 174.42 2qxu s HIS 76 N -0.63 2.81 0.00 0.00 2.46 -0.18 0.57 115.29 120.32 2qxu s HIS 76 Ca 0.09 -0.44 0.00 0.00 0.47 0.00 0.00 55.06 55.18 2qxu s HIS 76 Cb -0.09 -1.79 0.00 0.00 -0.13 0.00 0.00 32.58 30.57 2qxu s HIS 76 CO 0.00 -0.05 0.00 0.45 -2.47 0.00 0.00 174.74 172.67 2qxu n SER 77 N 3.12 0.00 0.32 9.88 2.88 -0.30 -0.51 113.62 129.01 2qxu n SER 77 Ca -0.18 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.56 2qxu n SER 77 Cb 0.53 0.00 1.07 0.00 -0.75 0.00 0.00 64.21 65.06 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 -1.86 0.12 114.93 113.58 2qxu h MET 78 Ca 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 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 -0.04 0.78 -0.40 0.00 0.00 176.91 177.25 2qxu h GLY 79 N 0.00 0.00 0.99 1.39 0.00 -0.79 -0.73 103.07 103.92 2qxu h GLY 79 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 2qxu h GLY 79 CO -0.00 0.00 0.09 -1.33 0.00 0.00 0.00 176.54 175.30 2qxu h GLY 80 N 0.14 0.89 0.93 4.60 0.00 -0.93 0.04 103.07 108.74 2qxu h GLY 80 Ca -0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 2qxu h GLY 80 CO 0.01 0.55 0.13 0.00 0.00 0.00 0.00 176.54 177.23 2qxu h ALA 81 N 0.97 0.48 -0.90 3.60 0.00 -1.29 -1.82 119.26 120.31 2qxu h ALA 81 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qxu h ALA 81 Cb 0.39 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2qxu h ALA 81 CO 0.01 0.11 0.56 -0.91 0.00 0.00 0.00 179.25 179.02 2qxu h ASN 82 N 0.45 1.07 -0.23 0.00 2.35 -0.99 -1.41 115.58 116.81 2qxu h ASN 82 Ca 0.12 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2qxu h ASN 82 Cb 0.22 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2qxu h ASN 82 CO -0.01 0.80 0.12 0.74 -1.65 0.00 0.00 177.43 177.44 2qxu h THR 83 N 1.24 1.12 -0.28 2.81 2.02 -0.74 -1.34 112.91 117.73 2qxu h THR 83 Ca 0.33 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 2qxu h THR 83 Cb -0.08 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 2qxu h THR 83 CO -0.06 0.12 -0.10 -0.07 0.37 0.00 0.00 175.52 175.77 2qxu h LEU 84 N 0.25 0.45 -0.54 2.58 3.38 -1.08 -1.96 115.31 118.39 2qxu h LEU 84 Ca 0.08 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2qxu h LEU 84 Cb 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2qxu h LEU 84 CO -0.01 0.59 0.07 0.22 0.09 0.00 0.00 178.44 179.40 2qxu h TYR 85 N 0.44 0.97 -0.76 1.13 3.20 -1.01 0.21 116.97 121.15 2qxu h TYR 85 Ca 0.09 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 2qxu h TYR 85 Cb 0.45 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 2qxu h TYR 85 CO 0.01 0.87 0.45 -0.92 -1.64 0.00 0.00 178.16 176.93 2qxu h TYR 86 N 0.80 1.01 -0.07 -3.82 3.20 -0.81 0.14 116.97 117.41 2qxu h TYR 86 Ca 0.16 -0.01 -0.24 0.00 3.14 0.00 0.00 58.73 61.79 2qxu h TYR 86 Cb 0.43 -0.33 0.01 0.00 1.54 0.00 0.00 36.73 38.38 2qxu h TYR 86 CO 0.03 0.69 -0.89 0.82 -1.64 0.00 0.00 178.16 177.17 2qxu h ILE 87 N 1.04 1.30 -0.03 1.81 2.04 -1.14 -2.19 117.51 120.35 2qxu h ILE 87 Ca 0.27 -2.14 -0.12 0.00 1.00 0.00 0.00 64.86 63.87 2qxu h ILE 87 Cb -0.02 2.18 0.01 0.00 -0.74 0.00 0.00 36.82 38.25 2qxu h ILE 87 CO -0.05 0.66 -0.45 0.50 0.00 0.00 0.00 178.15 178.82 2qxu h LYS 88 N 0.43 0.35 0.00 2.37 3.64 -0.34 -3.30 116.57 119.72 2qxu h LYS 88 Ca -0.08 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2qxu h LYS 88 Cb 1.52 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 2qxu h LYS 88 CO 0.17 1.01 -0.51 0.09 -2.27 0.00 0.00 179.45 177.94 2qxu n ASN 89 N -4.33 0.93 0.00 4.20 3.02 0.46 -5.04 115.26 114.50 2qxu n ASN 89 Ca -0.09 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 2qxu n ASN 89 Cb 0.59 1.06 0.00 0.00 -0.61 0.00 0.00 39.78 40.82 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 -1.27 0.00 -1.68 3.41 4.77 -0.96 -5.03 117.00 116.24 2qxu n LEU 90 Ca 0.01 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.07 2qxu n LEU 90 Cb 0.12 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.58 2qxu n LEU 90 CO 0.14 0.00 0.84 -0.90 -1.33 0.00 0.00 177.39 176.13 2qxu n ASP 91 N 0.00 5.12 0.21 -1.43 5.75 -1.23 -4.55 116.55 120.42 2qxu n ASP 91 Ca 0.00 -2.66 0.14 0.00 -0.01 0.00 0.00 54.79 52.26 2qxu n ASP 91 Cb 0.00 -0.62 0.46 0.00 -1.03 0.00 0.00 41.12 39.93 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 3.96 0.00 -0.57 6.12 0.00 -1.65 -3.36 103.07 107.57 2qxu h GLY 92 Ca 0.00 0.00 0.32 0.00 0.00 0.00 0.00 47.33 47.65 2qxu h GLY 92 CO 0.33 0.00 0.97 -1.33 0.00 0.00 0.00 176.54 176.51 2qxu h GLY 93 N 3.04 0.00 -0.04 4.60 0.00 -1.77 -1.58 103.07 107.31 2qxu h GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qxu h GLY 93 CO 0.00 0.00 -0.02 1.16 0.00 0.00 0.00 176.54 177.68 2qxu n ASN 94 N -3.76 1.57 -0.28 0.19 6.94 -1.26 0.18 115.26 118.84 2qxu n ASN 94 Ca 0.24 -1.95 0.03 0.00 -0.02 0.00 0.00 54.58 52.88 2qxu n ASN 94 Cb 1.33 -0.07 0.06 0.00 -2.36 0.00 0.00 39.78 38.74 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 -0.51 2.07 -4.79 -3.83 5.02 -0.60 -4.82 118.16 110.71 2qxu n LYS 95 Ca 0.02 -1.50 -0.25 0.00 -2.02 0.00 0.00 58.31 54.56 2qxu n LYS 95 Cb 0.37 -1.12 -0.16 0.00 -0.02 0.00 0.00 35.03 34.11 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 -0.85 1.34 -0.03 -0.18 1.01 -1.19 -0.58 120.40 119.93 2qxu s VAL 96 Ca 0.10 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 2qxu s VAL 96 Cb 0.05 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2qxu s VAL 96 CO 0.07 0.39 -0.15 0.00 0.00 0.00 0.00 175.10 175.41 2qxu n ALA 97 N 2.98 1.93 -2.92 5.51 0.00 -0.51 -4.71 120.51 122.78 2qxu n ALA 97 Ca -0.17 -0.36 -0.33 0.00 0.00 0.00 0.00 53.44 52.59 2qxu n ALA 97 Cb 0.53 0.13 -0.14 0.00 0.00 0.00 0.00 19.45 19.97 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 -5.77 4.05 -0.11 0.00 0.01 -1.26 -1.35 114.94 110.50 2qxu s ASN 98 Ca -0.12 -0.29 0.03 0.00 -0.71 0.00 0.00 52.86 51.77 2qxu s ASN 98 Cb 0.02 -1.43 0.01 0.00 0.41 0.00 0.00 41.25 40.26 2qxu s ASN 98 CO 0.18 0.21 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.10 2qxu s VAL 99 N 0.07 1.80 -0.15 1.60 1.01 0.35 -0.50 120.40 124.59 2qxu s VAL 99 Ca -0.05 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2qxu s VAL 99 Cb -0.15 -1.60 0.03 0.00 0.00 0.00 0.00 36.38 34.66 2qxu s VAL 99 CO 0.04 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 174.83 2qxu s VAL 100 N 0.72 1.44 -0.06 2.92 1.01 0.45 -0.99 120.40 125.89 2qxu s VAL 100 Ca -0.11 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2qxu s VAL 100 Cb -0.16 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2qxu s VAL 100 CO 0.02 0.40 -0.03 0.42 0.00 0.00 0.00 175.10 175.91 2qxu s THR 101 N 1.53 4.00 -0.27 3.92 -4.23 -0.55 -0.58 115.64 119.46 2qxu s THR 101 Ca 0.04 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 2qxu s THR 101 Cb -0.13 -2.68 0.05 0.00 1.34 0.00 0.00 72.50 71.07 2qxu s THR 101 CO -0.10 0.56 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.71 2qxu s LEU 102 N -0.99 3.45 -1.45 4.79 1.43 0.19 -0.90 118.68 125.20 2qxu s LEU 102 Ca 0.14 -1.17 -0.10 0.00 -1.03 0.00 0.00 54.13 51.97 2qxu s LEU 102 Cb -0.11 -1.63 0.06 0.00 0.03 0.00 0.00 46.19 44.53 2qxu s LEU 102 CO 0.03 -0.19 0.76 0.61 0.23 0.00 0.00 176.35 177.79 2qxu n GLY 103 N 4.57 -0.51 3.75 -3.19 0.00 0.23 -1.15 105.19 108.89 2qxu n GLY 103 Ca -0.15 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.97 2.40 -0.42 -0.02 0.00 -1.26 -3.09 107.32 101.96 2qxu s GLY 104 Ca 0.49 1.32 -0.03 0.00 0.00 0.00 0.00 44.72 46.49 2qxu s GLY 104 CO 0.60 2.24 2.63 0.00 0.00 0.00 0.00 173.10 178.56 2qxu n ALA 105 N 2.16 6.19 -0.24 3.20 0.00 -0.71 -2.79 120.51 128.32 2qxu n ALA 105 Ca 0.06 -2.76 0.04 0.00 0.00 0.00 0.00 53.44 50.78 2qxu n ALA 105 Cb 0.40 -1.99 0.17 0.00 0.00 0.00 0.00 19.45 18.03 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 2.68 0.10 0.00 0.00 2.35 -1.68 -1.78 115.58 117.25 2qxu h ASN 106 Ca 0.37 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 56.25 2qxu h ASN 106 Cb 0.77 0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.29 2qxu h ASN 106 CO 0.86 0.02 0.00 0.54 -1.65 0.00 0.00 177.43 177.19 2qxu n ARG 107 N -5.10 0.43 0.00 0.81 1.74 -0.32 -1.35 116.66 112.86 2qxu n ARG 107 Ca 0.13 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.33 2qxu n ARG 107 Cb 0.42 -1.40 0.57 0.00 -1.02 0.00 0.00 32.46 31.02 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 -0.90 0.00 0.01 0.55 4.77 -0.67 -3.84 117.00 116.92 2qxu n LEU 108 Ca 0.08 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 2qxu n LEU 108 Cb 0.04 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2qxu n LEU 108 CO 0.06 -0.07 -0.42 0.41 -1.33 0.00 0.00 177.39 176.04 2qxu n THR 109 N -1.38 0.14 -3.48 -5.08 -1.04 -0.46 -5.08 114.28 97.90 2qxu n THR 109 Ca 0.09 0.05 -0.10 0.00 -2.04 0.00 0.00 64.05 62.05 2qxu n THR 109 Cb 0.23 -1.46 -0.02 0.00 -1.82 0.00 0.00 70.33 67.25 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 -1.92 12.58 -1.32 -0.92 -5.01 115.64 117.05 2qxu s THR 110 Ca 0.00 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.66 2qxu s THR 110 Cb 0.00 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.28 2qxu s THR 110 CO 0.00 0.00 1.21 0.61 -2.21 0.00 0.00 174.62 174.23 2qxu n GLY 111 N -0.19 1.32 3.67 6.08 0.00 -1.26 -3.15 105.19 111.65 2qxu n GLY 111 Ca -0.12 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.28 2.83 -0.96 1.61 1.02 -1.26 -0.03 119.74 121.67 2qxu s LYS 112 Ca 0.28 -0.54 -0.24 0.00 0.02 0.00 0.00 55.97 55.49 2qxu s LYS 112 Cb 0.17 -2.69 0.05 0.00 -0.52 0.00 0.00 37.83 34.83 2qxu s LYS 112 CO 0.24 0.65 1.41 0.00 -0.92 0.00 0.00 175.35 176.73 2qxu s ALA 113 N -0.99 2.73 0.09 5.17 0.00 -0.79 -4.84 121.76 123.14 2qxu s ALA 113 Ca 0.17 -2.08 -0.31 0.00 0.00 0.00 0.00 51.96 49.74 2qxu s ALA 113 Cb -0.11 -4.46 -0.10 0.00 0.00 0.00 0.00 23.12 18.45 2qxu s ALA 113 CO 0.07 -3.53 1.90 1.28 0.00 0.00 0.00 175.76 175.47 2qxu n LEU 114 N 8.95 4.11 0.15 0.00 4.77 -1.26 -4.76 117.00 128.96 2qxu n LEU 114 Ca 0.26 0.95 0.13 0.00 -0.03 0.00 0.00 56.01 57.32 2qxu n LEU 114 Cb 0.51 -1.54 0.50 0.00 -2.33 0.00 0.00 43.42 40.56 2qxu n LEU 114 CO 0.67 0.19 0.88 1.55 -1.33 0.00 0.00 177.39 179.35 2qxu h PRO 115 N 9.38 0.00 0.00 3.23 0.13 -1.93 -3.41 132.00 139.41 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 0.95 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 2qxu n GLY 116 N 0.22 -0.48 0.00 1.56 0.00 -1.26 -0.97 105.19 104.26 2qxu n GLY 116 Ca 0.02 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 0.15 -2.87 2.61 -2.24 0.13 -4.96 114.28 107.10 2qxu n THR 117 Ca 0.00 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 2qxu n THR 117 Cb 0.00 1.18 -0.04 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.15 6.62 0.53 3.42 -1.08 -1.26 -4.91 116.67 119.84 2qxu s ASP 118 Ca 0.00 0.47 0.31 0.00 -0.52 0.00 0.00 52.55 52.81 2qxu s ASP 118 Cb 0.00 -2.43 1.42 0.00 -1.46 0.00 0.00 42.92 40.45 2qxu s ASP 118 CO 0.00 -0.81 2.02 1.55 0.52 0.00 0.00 175.17 178.45 2qxu h PRO 119 N 8.49 0.00 -0.01 4.34 0.13 -1.96 -2.74 132.00 140.25 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 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2qxu h PRO 119 CO 0.95 0.09 -0.15 0.09 -0.23 0.00 0.00 178.00 178.74 2qxu n ASN 120 N -3.31 1.39 -3.15 1.44 3.02 -1.26 -4.82 115.26 108.57 2qxu n ASN 120 Ca -0.01 -1.23 0.05 0.00 -0.03 0.00 0.00 54.58 53.36 2qxu n ASN 120 Cb 0.29 0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.54 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 -2.27 0.29 0.52 3.52 0.74 -1.03 -5.16 119.66 116.27 2qxu s GLN 121 Ca 0.30 0.49 -0.20 0.00 0.05 0.00 0.00 55.36 55.99 2qxu s GLN 121 Cb 0.20 0.27 -0.07 0.00 1.10 0.00 0.00 33.01 34.51 2qxu s GLN 121 CO 0.44 -0.35 1.10 0.15 -0.55 0.00 0.00 175.29 176.08 2qxu s LYS 122 N 2.93 3.52 0.13 1.67 1.02 -1.26 -4.40 119.74 123.35 2qxu s LYS 122 Ca 0.07 1.55 -0.31 0.00 0.02 0.00 0.00 55.97 57.30 2qxu s LYS 122 Cb -0.11 -2.06 -0.09 0.00 -0.52 0.00 0.00 37.83 35.05 2qxu s LYS 122 CO -0.15 -0.70 1.51 0.42 -0.92 0.00 0.00 175.35 175.51 2qxu s ILE 123 N -1.81 2.93 -0.11 2.17 1.01 -0.15 -4.98 121.20 120.26 2qxu s ILE 123 Ca 0.70 0.63 -0.10 0.00 0.00 0.00 0.00 60.65 61.88 2qxu s ILE 123 Cb -0.22 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 2qxu s ILE 123 CO 0.25 0.04 0.23 -0.76 0.00 0.00 0.00 174.94 174.70 2qxu s LEU 124 N 1.32 4.36 0.07 2.97 1.43 -0.46 -4.66 118.68 123.71 2qxu s LEU 124 Ca 0.68 0.56 0.10 0.00 -1.03 0.00 0.00 54.13 54.44 2qxu s LEU 124 Cb -0.41 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 2qxu s LEU 124 CO 0.31 0.30 -0.27 -0.31 0.23 0.00 0.00 176.35 176.62 2qxu s TYR 125 N -0.59 2.31 -0.21 0.29 1.51 -0.57 -0.49 117.35 119.61 2qxu s TYR 125 Ca 0.16 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.79 2qxu s TYR 125 Cb -0.13 -1.34 0.07 0.00 -0.11 0.00 0.00 41.96 40.44 2qxu s TYR 125 CO 0.05 0.20 0.05 0.99 -1.11 0.00 0.00 175.55 175.73 2qxu s THR 126 N -0.89 0.46 -0.40 -0.71 2.01 -0.16 -1.47 115.64 114.48 2qxu s THR 126 Ca 0.12 -0.60 -0.13 0.00 0.31 0.00 0.00 61.69 61.40 2qxu s THR 126 Cb -0.10 -1.03 0.03 0.00 0.01 0.00 0.00 72.50 71.40 2qxu s THR 126 CO 0.03 -0.28 0.26 -0.55 -0.69 0.00 0.00 174.62 173.39 2qxu s SER 127 N 1.88 5.92 -0.22 3.53 0.15 0.05 -1.48 113.70 123.53 2qxu s SER 127 Ca 0.01 -0.99 -0.10 0.00 0.70 0.00 0.00 55.95 55.57 2qxu s SER 127 Cb -0.17 -2.09 -0.05 0.00 -1.71 0.00 0.00 66.02 62.00 2qxu s SER 127 CO -0.11 -0.43 0.14 -0.63 1.20 0.00 0.00 173.24 173.41 2qxu s ILE 128 N 1.61 5.37 0.00 6.45 1.01 -0.08 -0.75 121.20 134.82 2qxu s ILE 128 Ca 0.03 0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.78 2qxu s ILE 128 Cb -0.19 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2qxu s ILE 128 CO 0.08 0.40 0.17 -0.72 0.00 0.00 0.00 174.94 174.86 2qxu s TYR 129 N 0.68 0.02 -0.12 3.97 -0.85 -0.74 -0.60 117.35 119.70 2qxu s TYR 129 Ca 0.08 -0.10 -0.03 0.00 -0.52 0.00 0.00 57.07 56.50 2qxu s TYR 129 Cb -0.12 -0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.16 2qxu s TYR 129 CO 0.01 -0.32 -0.01 0.45 -1.52 0.00 0.00 175.55 174.16 2qxu s SER 130 N -1.46 5.07 0.42 -0.18 0.15 -1.26 -0.72 113.70 115.71 2qxu s SER 130 Ca -0.14 0.02 0.29 0.00 0.70 0.00 0.00 55.95 56.82 2qxu s SER 130 Cb -0.07 -1.61 1.46 0.00 -1.71 0.00 0.00 66.02 64.09 2qxu s SER 130 CO 0.01 0.28 1.87 0.77 1.20 0.00 0.00 173.24 177.37 2qxu h SER 131 N 5.91 0.00 -0.27 5.45 4.64 -1.45 -0.88 113.55 126.96 2qxu h SER 131 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2qxu h SER 131 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2qxu h SER 131 CO 0.59 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.55 2qxu n ALA 132 N -1.88 2.47 -2.23 5.18 0.00 -1.26 -4.91 120.51 117.88 2qxu n ALA 132 Ca -0.01 -0.73 -0.43 0.00 0.00 0.00 0.00 53.44 52.28 2qxu n ALA 132 Cb 0.11 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.52 6.67 0.00 0.00 -1.08 -0.34 -4.65 116.67 115.75 2qxu s ASP 133 Ca 0.35 1.73 0.24 0.00 -0.52 0.00 0.00 52.55 54.35 2qxu s ASP 133 Cb 0.19 -2.54 0.23 0.00 -1.46 0.00 0.00 42.92 39.35 2qxu s ASP 133 CO 0.28 -1.00 1.24 0.23 0.52 0.00 0.00 175.17 176.44 2qxu n MET 134 N 7.16 1.33 -0.13 4.34 2.81 -1.26 -4.46 117.12 126.90 2qxu n MET 134 Ca 0.16 -1.04 -0.24 0.00 -1.81 0.00 0.00 57.70 54.78 2qxu n MET 134 Cb 0.45 -1.48 -0.11 0.00 -0.71 0.00 0.00 33.22 31.37 2qxu n MET 134 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2qxu n ILE 135 N 0.07 1.52 -4.06 2.02 5.41 -1.26 -4.89 119.36 118.17 2qxu n ILE 135 Ca 0.11 -0.47 -0.32 0.00 1.00 0.00 0.00 62.75 63.06 2qxu n ILE 135 Cb 0.46 -1.66 -0.15 0.00 -0.71 0.00 0.00 39.64 37.57 2qxu n ILE 135 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2qxu s VAL 136 N -2.51 2.24 0.37 1.39 1.01 -1.26 -5.10 120.40 116.54 2qxu s VAL 136 Ca -0.36 -1.55 -0.27 0.00 0.00 0.00 0.00 61.98 59.79 2qxu s VAL 136 Cb 0.12 -2.29 -0.12 0.00 0.00 0.00 0.00 36.38 34.09 2qxu s VAL 136 CO 0.56 0.01 1.28 0.23 0.00 0.00 0.00 175.10 177.18 2qxu n MET 137 N 4.46 2.08 0.22 2.72 2.81 -1.26 -4.84 117.12 123.31 2qxu n MET 137 Ca -0.15 0.73 0.10 0.00 -1.81 0.00 0.00 57.70 56.58 2qxu n MET 137 Cb 0.43 -2.35 0.66 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 2.42 0.00 0.42 7.83 2.35 -1.89 -1.60 115.58 125.10 2qxu h ASN 138 Ca -0.47 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.27 2qxu h ASN 138 Cb 1.29 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.65 2qxu h ASN 138 CO 0.62 0.00 -0.04 0.10 -1.65 0.00 0.00 177.43 176.46 2qxu h TYR 139 N 0.00 0.00 0.00 1.19 -0.00 -1.95 -1.09 116.97 115.12 2qxu h TYR 139 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.70 2qxu h TYR 139 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.89 2qxu h TYR 139 CO 0.00 0.04 -0.46 -0.07 -0.00 0.00 0.00 178.16 177.67 2qxu h LEU 140 N 0.00 0.00 0.06 0.10 3.38 -1.59 -3.34 115.31 113.91 2qxu h LEU 140 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2qxu h LEU 140 Cb 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2qxu h LEU 140 CO 0.01 0.34 -1.60 0.28 0.09 0.00 0.00 178.44 177.56 2qxu h SER 141 N 0.00 0.19 -2.86 -0.43 0.02 -1.04 -0.72 113.55 108.70 2qxu h SER 141 Ca -0.02 -0.32 -0.53 0.00 -0.84 0.00 0.00 61.79 60.09 2qxu h SER 141 Cb 1.27 -0.06 0.04 0.00 0.14 0.00 0.00 62.40 63.79 2qxu h SER 141 CO 0.04 1.27 0.85 -0.13 -1.14 0.00 0.00 176.83 177.73 2qxu s ARG 142 N -2.61 4.23 -0.07 3.45 0.52 -0.90 -4.78 118.95 118.79 2qxu s ARG 142 Ca -0.08 2.32 0.05 0.00 -0.52 0.00 0.00 55.73 57.50 2qxu s ARG 142 Cb 0.08 -3.17 -0.01 0.00 0.52 0.00 0.00 34.95 32.37 2qxu s ARG 142 CO 0.83 -0.58 -0.23 -0.51 0.02 0.00 0.00 175.30 174.83 2qxu s LEU 143 N 1.09 2.20 -0.17 2.53 1.43 -1.26 -4.86 118.68 119.65 2qxu s LEU 143 Ca 0.69 -0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 53.03 2qxu s LEU 143 Cb -0.43 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2qxu s LEU 143 CO 0.31 0.24 1.74 -1.81 0.23 0.00 0.00 176.35 177.07 2qxu s ASP 144 N -0.13 6.29 0.00 2.29 1.01 0.96 -2.34 116.67 124.76 2qxu s ASP 144 Ca -0.04 1.85 0.00 0.00 0.71 0.00 0.00 52.55 55.07 2qxu s ASP 144 Cb -0.14 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.26 2qxu s ASP 144 CO 0.04 -1.29 0.00 0.61 0.21 0.00 0.00 175.17 174.74 2qxu n GLY 145 N 4.74 1.97 3.96 0.21 0.00 -1.26 -1.88 105.19 112.93 2qxu n GLY 145 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.43 3.48 -0.57 4.61 0.00 -0.99 -1.42 121.76 124.44 2qxu s ALA 146 Ca 0.00 -1.24 -0.22 0.00 0.00 0.00 0.00 51.96 50.50 2qxu s ALA 146 Cb 0.00 -2.31 0.06 0.00 0.00 0.00 0.00 23.12 20.87 2qxu s ALA 146 CO 0.00 -1.20 0.87 0.50 0.00 0.00 0.00 175.76 175.92 2qxu s ARG 147 N -5.09 3.21 -0.31 0.00 3.52 -0.75 -4.87 118.95 114.66 2qxu s ARG 147 Ca 0.61 -0.60 -0.18 0.00 -0.13 0.00 0.00 55.73 55.44 2qxu s ARG 147 Cb -0.09 -4.12 -0.02 0.00 -1.56 0.00 0.00 34.95 29.17 2qxu s ARG 147 CO 0.43 -1.52 0.49 -0.80 -0.81 0.00 0.00 175.30 173.10 2qxu s ASN 148 N 3.06 6.34 -0.20 -2.12 0.01 -1.26 -0.77 114.94 120.00 2qxu s ASN 148 Ca 0.24 0.18 0.01 0.00 -0.71 0.00 0.00 52.86 52.58 2qxu s ASN 148 Cb -0.16 -2.26 0.03 0.00 0.41 0.00 0.00 41.25 39.27 2qxu s ASN 148 CO 0.15 -0.38 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.49 2qxu s VAL 149 N 2.32 2.13 -0.17 1.60 1.01 0.07 -4.98 120.40 122.39 2qxu s VAL 149 Ca 0.19 -1.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 2qxu s VAL 149 Cb -0.16 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 2qxu s VAL 149 CO 0.12 0.43 0.18 -1.58 0.00 0.00 0.00 175.10 174.25 2qxu s GLN 150 N 1.26 4.04 0.46 2.72 0.74 -1.26 -1.79 119.66 125.83 2qxu s GLN 150 Ca 0.02 -0.10 0.05 0.00 0.05 0.00 0.00 55.36 55.38 2qxu s GLN 150 Cb -0.14 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 2qxu s GLN 150 CO -0.11 0.40 0.08 0.96 -0.55 0.00 0.00 175.29 176.06 2qxu s ILE 151 N 0.05 1.74 0.31 -2.34 -4.36 0.10 -4.97 121.20 111.73 2qxu s ILE 151 Ca 0.12 -1.89 0.06 0.00 -0.26 0.00 0.00 60.65 58.68 2qxu s ILE 151 Cb -0.12 -2.64 -0.06 0.00 1.25 0.00 0.00 42.46 40.89 2qxu s ILE 151 CO 0.01 0.00 -0.03 -1.00 0.24 0.00 0.00 174.94 174.16 2qxu s HIS 152 N -2.75 2.06 0.00 1.37 3.76 -1.26 -1.17 115.29 117.29 2qxu s HIS 152 Ca 0.26 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 2qxu s HIS 152 Cb 0.05 -1.25 0.00 0.00 1.11 0.00 0.00 32.58 32.49 2qxu s HIS 152 CO 0.14 0.26 0.00 0.41 -0.85 0.00 0.00 174.74 174.70 2qxu n GLY 153 N -0.67 0.95 3.79 -2.22 0.00 -1.26 -4.93 105.19 100.84 2qxu n GLY 153 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.74 5.11 0.65 1.61 1.01 -1.26 -4.97 120.40 120.81 2qxu s VAL 154 Ca 0.00 0.84 -0.06 0.00 0.00 0.00 0.00 61.98 62.76 2qxu s VAL 154 Cb 0.00 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.68 2qxu s VAL 154 CO 0.00 0.47 0.95 -0.83 0.00 0.00 0.00 175.10 175.70 2qxu s GLY 155 N -0.34 1.66 0.16 4.51 0.00 -1.26 -3.72 107.32 108.33 2qxu s GLY 155 Ca 0.23 -0.85 -0.19 0.00 0.00 0.00 0.00 44.72 43.91 2qxu s GLY 155 CO 0.11 -0.50 1.65 0.84 0.00 0.00 0.00 173.10 175.20 2qxu h HIS 156 N -0.38 -0.36 -0.04 1.90 2.76 -1.94 -1.21 115.15 115.87 2qxu h HIS 156 Ca -0.45 0.04 -0.16 0.00 -2.20 0.00 0.00 60.37 57.60 2qxu h HIS 156 Cb 1.29 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.45 2qxu h HIS 156 CO 0.40 -0.22 -0.70 0.82 -1.30 0.00 0.00 177.93 176.92 2qxu h ILE 157 N -0.09 1.43 0.00 6.26 1.08 -2.01 -3.08 117.51 121.10 2qxu h ILE 157 Ca 0.17 -2.22 0.00 0.00 -0.39 0.00 0.00 64.86 62.42 2qxu h ILE 157 Cb 0.35 2.17 0.00 0.00 -3.07 0.00 0.00 36.82 36.28 2qxu h ILE 157 CO -0.40 0.65 0.00 1.23 -0.69 0.00 0.00 178.15 178.94 2qxu h GLY 158 N 1.63 0.00 2.00 5.37 0.00 -1.62 -1.78 103.07 108.67 2qxu h GLY 158 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2qxu h GLY 158 CO 0.11 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 178.05 2qxu h LEU 159 N 0.00 0.00 -0.03 3.11 3.38 -1.28 -1.42 115.31 119.07 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 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2qxu h LEU 159 CO 0.00 0.01 -0.32 0.18 0.09 0.00 0.00 178.44 178.40 2qxu n LEU 160 N -3.24 0.38 -3.03 1.67 4.77 -0.67 -4.27 117.00 112.61 2qxu n LEU 160 Ca -0.02 0.13 -0.15 0.00 -0.03 0.00 0.00 56.01 55.93 2qxu n LEU 160 Cb 0.12 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 2qxu n LEU 160 CO 0.23 0.09 -0.19 -1.22 -1.33 0.00 0.00 177.39 174.97 2qxu n TYR 161 N -1.43 0.52 -4.40 -1.77 4.01 -0.54 -4.22 117.16 109.33 2qxu n TYR 161 Ca 0.07 -3.51 -0.25 0.00 -0.16 0.00 0.00 57.90 54.05 2qxu n TYR 161 Cb 0.33 -0.41 -0.17 0.00 -0.31 0.00 0.00 39.34 38.79 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 -2.65 1.80 0.19 7.72 0.15 -1.20 -5.00 113.70 114.70 2qxu s SER 162 Ca 0.36 -0.29 -0.12 0.00 0.70 0.00 0.00 55.95 56.61 2qxu s SER 162 Cb 0.38 -0.80 0.10 0.00 -1.71 0.00 0.00 66.02 64.00 2qxu s SER 162 CO -0.05 -0.01 1.83 0.28 1.20 0.00 0.00 173.24 176.49 2qxu h SER 163 N 7.26 0.77 -0.64 5.45 0.02 -1.96 0.38 113.55 124.83 2qxu h SER 163 Ca -0.31 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.55 2qxu h SER 163 Cb 1.17 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.49 2qxu h SER 163 CO 0.46 0.60 0.28 -0.61 -1.14 0.00 0.00 176.83 176.42 2qxu h GLN 164 N 0.87 0.93 -0.45 3.45 4.15 -2.00 -1.49 115.11 120.57 2qxu h GLN 164 Ca 0.23 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 2qxu h GLN 164 Cb -0.03 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 2qxu h GLN 164 CO -0.04 0.77 0.16 0.28 -1.93 0.00 0.00 178.83 178.06 2qxu h VAL 165 N 0.88 1.21 -0.45 2.39 2.07 -1.82 -2.71 116.25 117.82 2qxu h VAL 165 Ca 0.22 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 67.10 2qxu h VAL 165 Cb 0.16 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 2qxu h VAL 165 CO -0.02 0.25 0.19 0.78 0.02 0.00 0.00 177.57 178.78 2qxu h ASN 166 N 0.59 0.23 -0.86 0.57 2.35 -0.53 0.11 115.58 118.03 2qxu h ASN 166 Ca 0.15 0.04 0.05 0.00 -0.55 0.00 0.00 56.30 55.99 2qxu h ASN 166 Cb 0.23 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.56 2qxu h ASN 166 CO -0.01 0.16 0.56 0.28 -1.65 0.00 0.00 177.43 176.78 2qxu h SER 167 N 0.37 0.89 0.08 5.81 0.02 -1.16 -0.77 113.55 118.80 2qxu h SER 167 Ca 0.21 -0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.97 2qxu h SER 167 Cb 0.18 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 2qxu h SER 167 CO -0.19 0.59 -0.68 -0.07 -1.14 0.00 0.00 176.83 175.34 2qxu h LEU 168 N 1.02 0.64 -0.78 5.07 3.38 -0.99 -2.48 115.31 121.17 2qxu h LEU 168 Ca 0.35 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2qxu h LEU 168 Cb 0.11 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2qxu h LEU 168 CO -0.12 1.14 0.44 0.40 0.09 0.00 0.00 178.44 180.40 2qxu h ILE 169 N 0.39 1.23 -0.18 1.22 2.04 0.03 -0.80 117.51 121.44 2qxu h ILE 169 Ca -0.02 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.30 2qxu h ILE 169 Cb 1.26 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2qxu h ILE 169 CO 0.13 0.25 0.08 0.50 0.00 0.00 0.00 178.15 179.11 2qxu h LYS 170 N 1.08 0.18 -0.53 2.37 3.64 -1.05 0.08 116.57 122.34 2qxu h LYS 170 Ca 0.28 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.68 2qxu h LYS 170 Cb 0.01 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 2qxu h LYS 170 CO -0.05 0.12 0.30 0.93 -2.27 0.00 0.00 179.45 178.49 2qxu h GLU 171 N 0.18 0.58 -0.21 1.90 5.08 -0.97 -1.25 114.58 119.89 2qxu h GLU 171 Ca 0.08 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2qxu h GLU 171 Cb 0.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2qxu h GLU 171 CO -0.06 0.39 0.10 0.78 -1.00 0.00 0.00 179.01 179.21 2qxu h GLY 172 N 0.60 0.33 2.00 -3.84 0.00 -0.75 0.36 103.07 101.77 2qxu h GLY 172 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2qxu h GLY 172 CO -0.11 0.16 0.00 1.41 0.00 0.00 0.00 176.54 178.00 2qxu h LEU 173 N 0.21 0.00 -2.71 3.11 3.38 -0.75 -1.15 115.31 117.39 2qxu h LEU 173 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2qxu h LEU 173 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2qxu h LEU 173 CO -0.01 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.11 2qxu n ASN 174 N -2.69 4.19 0.00 -0.43 3.02 -0.49 -4.89 115.26 113.97 2qxu n ASN 174 Ca 0.01 -2.55 0.00 0.00 -0.03 0.00 0.00 54.58 52.00 2qxu n ASN 174 Cb 0.23 -0.59 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 0.64 0.47 1.40 7.41 0.00 -0.44 -4.97 105.19 109.69 2qxu n GLY 175 Ca 0.20 -0.93 0.05 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.22 2.38 0.00 -0.02 0.00 0.12 -4.92 105.19 100.53 2qxu n GLY 176 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.54 0.34 3.23 -0.02 0.00 -1.26 -4.69 105.19 103.32 2qxu n GLY 177 Ca 0.19 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.24 2qxu n GLY 177 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qxu s GLN 178 N -2.09 0.90 -0.29 1.61 0.74 -0.54 -4.77 119.66 115.22 2qxu s GLN 178 Ca 0.00 -1.01 0.04 0.00 0.05 0.00 0.00 55.36 54.44 2qxu s GLN 178 Cb 0.00 0.34 0.20 0.00 1.10 0.00 0.00 33.01 34.65 2qxu s GLN 178 CO 0.00 -0.29 0.64 1.21 -0.55 0.00 0.00 175.29 176.30 2qxu s ASN 179 N -2.88 -1.51 -0.02 6.67 3.84 -1.02 -1.51 114.94 118.51 2qxu s ASN 179 Ca 0.07 0.16 0.07 0.00 0.21 0.00 0.00 52.86 53.38 2qxu s ASN 179 Cb 0.05 1.96 0.23 0.00 -0.55 0.00 0.00 41.25 42.94 2qxu s ASN 179 CO -0.09 -0.28 1.13 0.35 -2.79 0.00 0.00 177.10 175.42 2qxu n THR 180 N 5.38 0.46 1.09 -5.21 -2.24 -0.51 -5.01 114.28 108.24 2qxu n THR 180 Ca 0.06 -0.36 0.12 0.00 -2.27 0.00 0.00 64.05 61.59 2qxu n THR 180 Cb 0.54 0.04 0.18 0.00 -2.10 0.00 0.00 70.33 69.00 2qxu n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09