#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 4.59 0.71 0.41 0.01 -1.26 -4.96 114.94 114.44 2qxu s ASN 4 Ca 0.00 1.70 -0.16 0.00 -0.71 0.00 0.00 52.86 53.70 2qxu s ASN 4 Cb 0.00 -2.45 0.03 0.00 0.41 0.00 0.00 41.25 39.24 2qxu s ASN 4 CO 0.00 -1.96 1.22 -2.84 -1.51 0.00 0.00 177.10 172.01 2qxu s PRO 5 N -4.96 2.23 -0.16 -0.60 0.02 -1.26 -4.64 135.00 125.63 2qxu s PRO 5 Ca 0.61 1.82 -0.02 0.00 0.02 0.00 0.00 61.00 63.43 2qxu s PRO 5 Cb -0.16 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 2qxu s PRO 5 CO 0.56 -1.78 -0.08 0.08 -0.33 0.00 0.00 177.00 175.44 2qxu s VAL 6 N -1.85 3.31 -0.30 3.83 1.01 -0.17 -0.83 120.40 125.41 2qxu s VAL 6 Ca 0.76 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 62.12 2qxu s VAL 6 Cb -0.31 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.64 2qxu s VAL 6 CO 0.44 0.49 0.08 -0.69 0.00 0.00 0.00 175.10 175.41 2qxu s VAL 7 N 0.72 3.93 -0.18 2.92 1.01 -0.12 0.52 120.40 129.20 2qxu s VAL 7 Ca -0.04 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 2qxu s VAL 7 Cb -0.15 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2qxu s VAL 7 CO 0.02 0.06 0.30 -0.04 0.00 0.00 0.00 175.10 175.44 2qxu s MET 8 N 1.49 4.22 -0.27 2.72 -1.94 0.81 -1.79 119.30 124.54 2qxu s MET 8 Ca 0.02 0.08 0.00 0.00 -1.71 0.00 0.00 55.69 54.08 2qxu s MET 8 Cb -0.17 -3.47 0.05 0.00 2.01 0.00 0.00 34.83 33.25 2qxu s MET 8 CO 0.02 0.15 -0.06 0.08 -0.01 0.00 0.00 175.02 175.21 2qxu s VAL 9 N 0.74 2.64 0.85 -6.03 1.01 0.33 -2.06 120.40 117.89 2qxu s VAL 9 Ca 0.16 -1.40 -0.12 0.00 0.00 0.00 0.00 61.98 60.62 2qxu s VAL 9 Cb -0.13 -2.49 0.10 0.00 0.00 0.00 0.00 36.38 33.86 2qxu s VAL 9 CO 0.05 -0.00 1.12 -1.38 0.00 0.00 0.00 175.10 174.88 2qxu s HIS 10 N 1.21 2.70 0.00 5.22 -3.43 -1.26 -0.94 115.29 118.79 2qxu s HIS 10 Ca -0.05 1.02 0.00 0.00 -0.80 0.00 0.00 55.06 55.22 2qxu s HIS 10 Cb -0.19 -3.24 0.00 0.00 -1.43 0.00 0.00 32.58 27.72 2qxu s HIS 10 CO -0.03 -2.02 0.00 0.41 -2.00 0.00 0.00 174.74 171.10 2qxu n GLY 11 N -2.17 3.51 3.69 -1.38 0.00 -1.08 -3.31 105.19 104.45 2qxu n GLY 11 Ca 0.07 -2.02 -0.45 0.00 0.00 0.00 0.00 46.02 43.62 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 0.00 0.09 -1.13 -0.61 5.41 -1.26 -1.10 119.36 120.76 2qxu n ILE 12 Ca 0.00 -0.02 -0.04 0.00 1.00 0.00 0.00 62.75 63.69 2qxu n ILE 12 Cb 0.00 -1.77 -0.02 0.00 -0.71 0.00 0.00 39.64 37.14 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 3.76 0.61 2.30 7.39 0.00 -0.78 -4.99 105.19 113.48 2qxu n GLY 13 Ca 0.17 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.03 0.88 3.53 -0.02 0.00 -0.26 -5.14 105.19 103.15 2qxu n GLY 14 Ca -0.04 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.92 -1.55 0.47 4.61 0.00 -1.26 -4.89 121.76 116.21 2qxu s ALA 15 Ca 0.39 0.38 0.21 0.00 0.00 0.00 0.00 51.96 52.93 2qxu s ALA 15 Cb -0.02 0.81 1.21 0.00 0.00 0.00 0.00 23.12 25.12 2qxu s ALA 15 CO 0.26 -0.83 1.93 0.66 0.00 0.00 0.00 175.76 177.78 2qxu h SER 16 N 2.00 0.23 -0.22 0.00 4.64 -1.87 0.48 113.55 118.81 2qxu h SER 16 Ca -0.29 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.11 2qxu h SER 16 Cb 1.29 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 2qxu h SER 16 CO 0.34 0.11 0.23 -0.26 -0.87 0.00 0.00 176.83 176.37 2qxu h PHE 17 N 0.24 0.00 -0.04 4.77 0.04 -1.95 -2.11 116.94 117.89 2qxu h PHE 17 Ca 0.35 0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.13 2qxu h PHE 17 Cb 1.04 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.18 2qxu h PHE 17 CO -0.00 0.00 0.06 -0.91 -0.60 0.00 0.00 178.31 176.86 2qxu h ASN 18 N 0.00 0.00 -0.53 2.17 2.35 -1.30 -2.54 115.58 115.73 2qxu h ASN 18 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2qxu h ASN 18 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 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 -3.60 1.64 -0.20 1.19 3.72 -0.79 -4.53 117.46 114.88 2qxu n PHE 19 Ca -0.02 -0.59 -0.06 0.00 -0.05 0.00 0.00 57.45 56.73 2qxu n PHE 19 Cb 0.14 -0.37 0.04 0.00 -0.94 0.00 0.00 39.48 38.35 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 3.84 0.75 -0.35 4.37 0.00 -1.64 0.66 119.26 126.89 2qxu h ALA 20 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2qxu h ALA 20 Cb 1.62 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2qxu h ALA 20 CO 0.35 0.15 -0.01 0.78 0.00 0.00 0.00 179.25 180.52 2qxu h GLY 21 N 0.77 0.67 1.37 0.00 0.00 -1.81 -2.35 103.07 101.72 2qxu h GLY 21 Ca 0.22 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 2qxu h GLY 21 CO -0.06 0.46 -0.08 -2.22 0.00 0.00 0.00 176.54 174.64 2qxu h ILE 22 N 0.43 1.25 0.06 2.60 2.04 -1.68 -1.81 117.51 120.40 2qxu h ILE 22 Ca 0.10 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 2qxu h ILE 22 Cb 0.47 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2qxu h ILE 22 CO 0.02 0.38 -0.03 0.11 0.00 0.00 0.00 178.15 178.63 2qxu h LYS 23 N 0.69 -0.08 -0.88 2.37 1.57 -0.76 -1.67 116.57 117.82 2qxu h LYS 23 Ca 0.12 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2qxu h LYS 23 Cb 0.54 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 2qxu h LYS 23 CO 0.03 -0.00 0.58 0.77 -0.57 0.00 0.00 179.45 180.26 2qxu h SER 24 N -0.13 1.02 0.19 0.86 0.02 -1.29 -1.69 113.55 112.54 2qxu h SER 24 Ca -0.01 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2qxu h SER 24 Cb 0.11 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2qxu h SER 24 CO 0.01 0.74 -0.15 0.22 -1.14 0.00 0.00 176.83 176.52 2qxu h TYR 25 N 1.20 -0.38 -1.00 3.45 3.20 -1.10 -0.09 116.97 122.24 2qxu h TYR 25 Ca 0.32 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.22 2qxu h TYR 25 Cb -0.13 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.23 2qxu h TYR 25 CO -0.01 -0.23 0.66 -0.07 -1.64 0.00 0.00 178.16 176.87 2qxu h LEU 26 N -0.35 1.11 -0.93 2.82 3.38 -1.10 -0.56 115.31 119.68 2qxu h LEU 26 Ca -0.01 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2qxu h LEU 26 Cb 0.31 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2qxu h LEU 26 CO -0.01 0.77 0.25 0.58 0.09 0.00 0.00 178.44 180.12 2qxu h VAL 27 N 1.29 1.24 0.00 1.22 2.07 -0.97 -0.17 116.25 120.93 2qxu h VAL 27 Ca 0.39 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 2qxu h VAL 27 Cb -0.04 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2qxu h VAL 27 CO -0.11 0.32 -0.00 0.77 0.02 0.00 0.00 177.57 178.56 2qxu h SER 28 N 1.00 0.00 -0.63 0.57 4.64 0.50 -1.87 113.55 117.76 2qxu h SER 28 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2qxu h SER 28 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2qxu h SER 28 CO -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 2qxu n GLN 29 N -3.09 2.66 0.00 4.77 1.13 -0.21 -4.95 117.38 117.68 2qxu n GLN 29 Ca -0.01 -2.55 0.00 0.00 -1.94 0.00 0.00 57.00 52.50 2qxu n GLN 29 Cb 0.20 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 28.99 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 1.63 0.69 3.80 1.08 0.00 -0.70 -5.05 105.19 106.64 2qxu n GLY 30 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 3.01 -0.12 1.61 0.51 -0.45 -4.98 118.94 116.52 2qxu s TRP 31 Ca 0.00 1.57 -0.22 0.00 -2.12 0.00 0.00 56.10 55.33 2qxu s TRP 31 Cb 0.00 -3.05 -0.03 0.00 -0.81 0.00 0.00 33.47 29.58 2qxu s TRP 31 CO 0.00 -0.82 0.67 -1.12 -0.51 0.00 0.00 176.95 175.17 2qxu s SER 32 N -2.08 6.86 0.31 2.95 0.01 -1.26 -4.19 113.70 116.30 2qxu s SER 32 Ca 0.67 1.04 0.06 0.00 1.31 0.00 0.00 55.95 59.03 2qxu s SER 32 Cb -0.16 -2.39 0.74 0.00 0.21 0.00 0.00 66.02 64.43 2qxu s SER 32 CO 0.21 -0.19 1.78 -0.09 0.41 0.00 0.00 173.24 175.37 2qxu h ARG 33 N 7.05 0.74 0.00 12.44 9.65 -1.94 0.12 114.38 142.44 2qxu h ARG 33 Ca -0.37 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 2qxu h ARG 33 Cb 1.17 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.58 2qxu h ARG 33 CO 0.77 0.49 0.00 -0.25 2.80 0.00 0.00 179.97 183.78 2qxu n ASP 34 N -4.74 0.59 -1.14 -3.80 8.00 -1.26 -2.43 116.55 111.77 2qxu n ASP 34 Ca 0.23 0.67 0.02 0.00 0.71 0.00 0.00 54.79 56.42 2qxu n ASP 34 Cb 0.56 -0.79 0.24 0.00 -0.02 0.00 0.00 41.12 41.12 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 -2.18 2.65 -4.03 -1.24 5.02 0.42 -4.89 118.16 113.90 2qxu n LYS 35 Ca 0.01 -2.98 -0.34 0.00 -2.02 0.00 0.00 58.31 52.98 2qxu n LYS 35 Cb 0.18 -1.89 -0.15 0.00 -0.02 0.00 0.00 35.03 33.15 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 -3.00 2.49 0.24 -0.35 1.43 -1.02 -0.99 118.68 117.49 2qxu s LEU 36 Ca 0.45 -0.59 0.11 0.00 -1.03 0.00 0.00 54.13 53.07 2qxu s LEU 36 Cb 0.38 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.97 2qxu s LEU 36 CO 0.07 -0.02 -0.20 -0.31 0.23 0.00 0.00 176.35 176.12 2qxu s TYR 37 N 1.35 2.19 -0.13 0.29 1.51 0.19 -4.96 117.35 117.79 2qxu s TYR 37 Ca 0.05 -0.38 -0.05 0.00 -1.01 0.00 0.00 57.07 55.68 2qxu s TYR 37 Cb -0.14 -0.99 0.06 0.00 -0.11 0.00 0.00 41.96 40.78 2qxu s TYR 37 CO -0.09 0.60 0.26 0.00 -1.11 0.00 0.00 175.55 175.22 2qxu s ALA 38 N -2.36 -0.57 0.65 3.71 0.00 -1.26 -0.14 121.76 121.78 2qxu s ALA 38 Ca 0.26 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 2qxu s ALA 38 Cb -0.05 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 2qxu s ALA 38 CO 0.12 -0.55 1.05 0.54 0.00 0.00 0.00 175.76 176.92 2qxu s VAL 39 N 2.19 4.34 -0.29 0.00 0.11 -0.87 -4.79 120.40 121.08 2qxu s VAL 39 Ca -0.01 0.76 -0.01 0.00 -2.93 0.00 0.00 61.98 59.79 2qxu s VAL 39 Cb -0.12 -3.74 0.09 0.00 -1.53 0.00 0.00 36.38 31.08 2qxu s VAL 39 CO -0.09 -0.99 0.09 -1.81 -3.33 0.00 0.00 175.10 168.97 2qxu s ASP 40 N -4.22 3.89 0.30 3.54 1.01 -1.26 -3.73 116.67 116.19 2qxu s ASP 40 Ca 0.56 -1.52 -0.28 0.00 0.71 0.00 0.00 52.55 52.02 2qxu s ASP 40 Cb -0.11 -0.82 -0.09 0.00 1.01 0.00 0.00 42.92 42.90 2qxu s ASP 40 CO 0.53 -0.40 1.09 -0.36 0.21 0.00 0.00 175.17 176.25 2qxu s PHE 41 N 1.66 3.51 -0.24 4.23 0.08 -1.26 -4.95 117.98 121.01 2qxu s PHE 41 Ca 0.08 1.69 0.18 0.00 0.12 0.00 0.00 56.93 59.00 2qxu s PHE 41 Cb -0.17 -3.26 0.13 0.00 -0.57 0.00 0.00 43.02 39.15 2qxu s PHE 41 CO -0.23 -0.58 1.44 0.11 -0.10 0.00 0.00 175.22 175.85 2qxu h TRP 42 N 3.54 0.00 -2.72 0.36 5.08 -1.99 -3.42 115.95 116.81 2qxu h TRP 42 Ca -0.47 0.00 -0.63 0.00 1.08 0.00 0.00 58.89 58.87 2qxu h TRP 42 Cb 1.21 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 27.23 2qxu h TRP 42 CO 0.58 0.34 0.53 0.34 -1.28 0.00 0.00 178.44 178.95 2qxu s ASP 43 N -6.30 6.19 0.40 0.11 2.15 -1.26 -4.91 116.67 113.05 2qxu s ASP 43 Ca 0.04 -0.94 0.10 0.00 0.43 0.00 0.00 52.55 52.18 2qxu s ASP 43 Cb 0.07 -2.42 0.89 0.00 -0.30 0.00 0.00 42.92 41.17 2qxu s ASP 43 CO 0.73 -1.41 1.97 0.11 -0.17 0.00 0.00 175.17 176.40 2qxu h LYS 44 N 9.53 0.55 0.00 4.34 1.79 -1.96 -1.22 116.57 129.60 2qxu h LYS 44 Ca -0.29 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 2qxu h LYS 44 Cb 1.07 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2qxu h LYS 44 CO 1.17 0.37 0.00 0.25 -1.08 0.00 0.00 179.45 180.16 2qxu n THR 45 N -4.48 0.34 -3.85 -0.16 -2.24 -1.26 -1.86 114.28 100.77 2qxu n THR 45 Ca 0.10 0.08 -0.28 0.00 -2.27 0.00 0.00 64.05 61.69 2qxu n THR 45 Cb 0.29 -0.73 0.03 0.00 -2.10 0.00 0.00 70.33 67.82 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 0.51 -0.45 3.77 3.38 0.00 -0.46 -4.84 105.19 107.11 2qxu n GLY 46 Ca 0.10 0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.40 3.11 0.26 2.61 -4.23 -1.26 -4.86 115.64 107.87 2qxu s THR 47 Ca 0.50 0.75 -0.03 0.00 -1.18 0.00 0.00 61.69 61.73 2qxu s THR 47 Cb -0.25 -3.34 0.13 0.00 1.34 0.00 0.00 72.50 70.38 2qxu s THR 47 CO 0.82 -0.09 1.77 0.78 -0.54 0.00 0.00 174.62 177.36 2qxu h ASN 48 N 1.54 0.81 -0.93 3.99 2.35 -1.94 -1.20 115.58 120.20 2qxu h ASN 48 Ca -0.50 -0.17 0.05 0.00 -0.55 0.00 0.00 56.30 55.13 2qxu h ASN 48 Cb 1.26 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 39.36 2qxu h ASN 48 CO 0.58 0.83 0.60 0.22 -1.65 0.00 0.00 177.43 178.01 2qxu h TYR 49 N 0.80 1.12 0.14 1.19 3.20 -2.00 0.22 116.97 121.65 2qxu h TYR 49 Ca 0.16 0.03 -0.31 0.00 3.14 0.00 0.00 58.73 61.76 2qxu h TYR 49 Cb 0.39 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2qxu h TYR 49 CO 0.02 0.61 -1.54 -0.91 -1.64 0.00 0.00 178.16 174.70 2qxu h ASN 50 N 1.13 0.47 0.73 -2.11 2.35 -1.92 -3.40 115.58 112.83 2qxu h ASN 50 Ca 0.39 -0.89 -0.20 0.00 -0.55 0.00 0.00 56.30 55.05 2qxu h ASN 50 Cb 0.08 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2qxu h ASN 50 CO -0.15 1.69 -0.90 0.78 -1.65 0.00 0.00 177.43 177.20 2qxu h ASN 51 N -0.14 0.14 0.07 5.81 4.21 -1.17 -3.30 115.58 121.19 2qxu h ASN 51 Ca -0.32 -0.12 0.02 0.00 1.21 0.00 0.00 56.30 57.09 2qxu h ASN 51 Cb 1.89 -0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 39.02 2qxu h ASN 51 CO 0.11 0.97 -0.22 1.23 -1.29 0.00 0.00 177.43 178.22 2qxu h GLY 52 N 2.22 -0.37 1.38 2.83 0.00 -0.75 0.18 103.07 108.57 2qxu h GLY 52 Ca -0.03 0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 2qxu h GLY 52 CO 0.13 -0.20 0.20 -2.55 0.00 0.00 0.00 176.54 174.12 2qxu h PRO 53 N -0.38 0.79 -0.37 4.80 0.11 -1.78 -0.50 132.00 134.68 2qxu h PRO 53 Ca 0.04 -0.13 -0.04 0.00 0.11 0.00 0.00 66.00 65.98 2qxu h PRO 53 Cb 0.43 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 2qxu h PRO 53 CO -0.15 0.67 0.07 0.28 -0.21 0.00 0.00 178.00 178.65 2qxu h VAL 54 N 0.78 1.24 -0.68 3.15 2.07 -1.56 -1.42 116.25 119.82 2qxu h VAL 54 Ca 0.18 -0.82 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 2qxu h VAL 54 Cb 0.18 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2qxu h VAL 54 CO -0.01 0.28 0.15 0.25 0.02 0.00 0.00 177.57 178.26 2qxu h LEU 55 N 0.45 1.03 -0.05 2.57 5.85 -0.63 -0.63 115.31 123.89 2qxu h LEU 55 Ca 0.11 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.62 2qxu h LEU 55 Cb 0.35 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2qxu h LEU 55 CO 0.01 1.00 -0.01 -1.28 -0.34 0.00 0.00 178.44 177.81 2qxu h SER 56 N 1.03 -0.05 -0.81 1.25 0.87 -0.86 -0.21 113.55 114.76 2qxu h SER 56 Ca 0.21 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 2qxu h SER 56 Cb 0.38 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.34 2qxu h SER 56 CO 0.00 -0.02 0.34 0.03 -0.53 0.00 0.00 176.83 176.66 2qxu h ARG 57 N -0.00 1.20 -0.42 2.24 3.08 -1.08 -1.88 114.38 117.52 2qxu h ARG 57 Ca 0.03 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 2qxu h ARG 57 Cb 0.04 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 2qxu h ARG 57 CO -0.06 0.96 0.20 0.35 -1.07 0.00 0.00 179.97 180.35 2qxu h PHE 58 N 1.17 0.61 -0.41 3.04 3.57 -0.72 -1.47 116.94 122.74 2qxu h PHE 58 Ca 0.27 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 2qxu h PHE 58 Cb 0.19 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2qxu h PHE 58 CO 0.02 0.50 0.05 0.28 -2.23 0.00 0.00 178.31 176.93 2qxu h VAL 59 N 0.54 1.25 -0.76 1.41 2.07 -0.88 -1.60 116.25 118.27 2qxu h VAL 59 Ca 0.15 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.77 2qxu h VAL 59 Cb 0.12 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 2qxu h VAL 59 CO -0.02 0.31 0.50 -0.61 0.02 0.00 0.00 177.57 177.78 2qxu h GLN 60 N 0.53 1.00 0.11 1.57 5.75 -1.21 -0.03 115.11 122.83 2qxu h GLN 60 Ca 0.12 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 2qxu h GLN 60 Cb 0.40 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.72 2qxu h GLN 60 CO 0.01 0.66 -0.06 -0.22 -2.65 0.00 0.00 178.83 176.58 2qxu h LYS 61 N 1.03 -0.15 -0.59 1.69 3.64 -0.96 0.08 116.57 121.31 2qxu h LYS 61 Ca 0.28 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.73 2qxu h LYS 61 Cb -0.11 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 2qxu h LYS 61 CO -0.06 -0.04 0.30 0.28 -2.27 0.00 0.00 179.45 177.66 2qxu h VAL 62 N -0.22 0.94 -0.51 2.00 2.07 -0.53 0.69 116.25 120.69 2qxu h VAL 62 Ca -0.02 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2qxu h VAL 62 Cb 0.18 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2qxu h VAL 62 CO 0.03 0.10 0.21 -0.07 0.02 0.00 0.00 177.57 177.86 2qxu h LEU 63 N 0.57 0.71 -0.46 2.57 3.38 -0.83 -0.38 115.31 120.86 2qxu h LEU 63 Ca 0.27 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2qxu h LEU 63 Cb 0.19 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2qxu h LEU 63 CO -0.19 0.68 0.13 0.44 0.09 0.00 0.00 178.44 179.60 2qxu h ASP 64 N 0.69 0.68 1.33 -0.43 3.32 -0.36 0.20 116.42 121.84 2qxu h ASP 64 Ca 0.17 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 2qxu h ASP 64 Cb 0.19 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2qxu h ASP 64 CO -0.01 0.71 -0.39 -0.33 -1.72 0.00 0.00 179.24 177.50 2qxu h GLU 65 N 0.61 0.00 0.00 3.56 5.08 -0.75 -3.33 114.58 119.75 2qxu h GLU 65 Ca 0.15 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.15 2qxu h GLU 65 Cb 0.28 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 2qxu h GLU 65 CO -0.00 0.39 -2.32 0.25 -1.00 0.00 0.00 179.01 176.32 2qxu n THR 66 N -3.29 1.39 -0.65 1.13 -2.24 -0.16 -4.98 114.28 105.48 2qxu n THR 66 Ca 0.01 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 2qxu n THR 66 Cb 0.63 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 1.73 0.75 3.79 3.38 0.00 0.69 -5.04 105.19 110.49 2qxu n GLY 67 Ca -0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.65 2.78 0.08 4.61 0.00 -1.23 -4.97 121.76 120.38 2qxu s ALA 68 Ca 0.00 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 52.58 2qxu s ALA 68 Cb 0.00 -3.29 -0.26 0.00 0.00 0.00 0.00 23.12 19.57 2qxu s ALA 68 CO 0.00 -0.56 1.17 0.87 0.00 0.00 0.00 175.76 177.23 2qxu h LYS 69 N 1.26 0.27 -3.92 0.00 1.57 -1.96 -3.45 116.57 110.35 2qxu h LYS 69 Ca -0.49 -0.44 -0.09 0.00 -1.87 0.00 0.00 60.65 57.75 2qxu h LYS 69 Cb 1.24 0.16 -0.14 0.00 0.08 0.00 0.00 32.23 33.57 2qxu h LYS 69 CO 0.58 1.20 -0.44 0.15 -0.57 0.00 0.00 179.45 180.36 2qxu s LYS 70 N -2.72 0.80 0.33 3.15 1.02 -1.26 -4.74 119.74 116.32 2qxu s LYS 70 Ca -0.04 -1.03 0.09 0.00 0.02 0.00 0.00 55.97 55.01 2qxu s LYS 70 Cb 0.07 0.31 -0.06 0.00 -0.52 0.00 0.00 37.83 37.64 2qxu s LYS 70 CO 0.88 -0.23 -0.03 0.14 -0.92 0.00 0.00 175.35 175.19 2qxu s VAL 71 N -3.88 2.58 0.25 3.17 -7.23 -0.54 -4.23 120.40 110.52 2qxu s VAL 71 Ca 0.06 -2.05 0.07 0.00 -1.81 0.00 0.00 61.98 58.25 2qxu s VAL 71 Cb 0.06 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2qxu s VAL 71 CO -0.10 -0.22 0.17 -1.81 -0.31 0.00 0.00 175.10 172.83 2qxu s ASP 72 N -3.68 5.42 -0.02 4.85 1.01 -0.01 -1.46 116.67 122.78 2qxu s ASP 72 Ca 0.34 -0.29 0.02 0.00 0.71 0.00 0.00 52.55 53.33 2qxu s ASP 72 Cb -0.00 -1.35 -0.00 0.00 1.01 0.00 0.00 42.92 42.58 2qxu s ASP 72 CO 0.18 -0.03 -0.08 -0.63 0.21 0.00 0.00 175.17 174.82 2qxu s ILE 73 N -2.15 0.70 -0.23 0.77 1.01 0.43 -0.94 121.20 120.79 2qxu s ILE 73 Ca 0.33 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.65 2qxu s ILE 73 Cb -0.08 -0.62 0.05 0.00 0.01 0.00 0.00 42.46 41.83 2qxu s ILE 73 CO 0.24 0.21 -0.13 -0.69 0.00 0.00 0.00 174.94 174.58 2qxu s VAL 74 N 0.04 2.08 -0.01 2.92 1.01 -0.74 -0.69 120.40 125.01 2qxu s VAL 74 Ca -0.00 -1.40 0.07 0.00 0.00 0.00 0.00 61.98 60.65 2qxu s VAL 74 Cb -0.06 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 2qxu s VAL 74 CO 0.00 0.13 -0.22 0.00 0.00 0.00 0.00 175.10 175.01 2qxu s ALA 75 N 1.18 2.34 -0.06 5.51 0.00 0.30 -0.51 121.76 130.52 2qxu s ALA 75 Ca -0.05 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 50.86 2qxu s ALA 75 Cb -0.18 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 2qxu s ALA 75 CO -0.07 0.54 -0.22 -1.58 0.00 0.00 0.00 175.76 174.43 2qxu s HIS 76 N -0.70 2.51 0.00 0.00 2.46 -0.12 0.43 115.29 119.87 2qxu s HIS 76 Ca 0.11 -0.57 0.00 0.00 0.47 0.00 0.00 55.06 55.07 2qxu s HIS 76 Cb -0.10 -1.61 0.00 0.00 -0.13 0.00 0.00 32.58 30.73 2qxu s HIS 76 CO 0.00 -0.12 0.00 0.43 -2.47 0.00 0.00 174.74 172.59 2qxu n SER 77 N 2.81 0.00 0.30 9.88 7.64 -0.70 -0.59 113.62 132.97 2qxu n SER 77 Ca -0.17 0.00 0.18 0.00 1.01 0.00 0.00 58.87 59.89 2qxu n SER 77 Cb 0.52 0.00 0.92 0.00 -1.01 0.00 0.00 64.21 64.64 2qxu n SER 77 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2qxu h MET 78 N 0.00 0.00 0.00 1.43 1.85 -1.86 0.22 114.93 116.57 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 -0.00 0.78 -0.40 0.00 0.00 176.91 177.29 2qxu h GLY 79 N 0.00 0.00 0.96 1.39 0.00 -0.84 -0.92 103.07 103.66 2qxu h GLY 79 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 2qxu h GLY 79 CO -0.00 0.00 -0.22 -1.33 0.00 0.00 0.00 176.54 174.99 2qxu h GLY 80 N 0.01 0.77 0.97 4.60 0.00 -0.71 -0.82 103.07 107.90 2qxu h GLY 80 Ca -0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 47.33 46.56 2qxu h GLY 80 CO 0.00 0.67 0.18 0.00 0.00 0.00 0.00 176.54 177.39 2qxu h ALA 81 N 0.74 0.66 -0.79 3.60 0.00 -1.33 -1.65 119.26 120.50 2qxu h ALA 81 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2qxu h ALA 81 Cb 0.77 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2qxu h ALA 81 CO 0.06 0.30 0.45 -0.91 0.00 0.00 0.00 179.25 179.15 2qxu h ASN 82 N 0.69 0.97 -0.45 0.00 2.35 -1.17 -0.75 115.58 117.21 2qxu h ASN 82 Ca 0.17 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2qxu h ASN 82 Cb 0.24 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2qxu h ASN 82 CO -0.01 0.77 0.23 0.74 -1.65 0.00 0.00 177.43 177.51 2qxu h THR 83 N 1.09 1.17 -0.12 2.81 2.02 -0.82 -1.15 112.91 117.91 2qxu h THR 83 Ca 0.28 -0.48 -0.09 0.00 0.77 0.00 0.00 66.41 66.89 2qxu h THR 83 Cb -0.00 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2qxu h THR 83 CO -0.05 0.19 -0.35 -0.07 0.37 0.00 0.00 175.52 175.61 2qxu h LEU 84 N 0.59 0.25 -0.54 2.58 3.38 -1.01 -2.28 115.31 118.27 2qxu h LEU 84 Ca 0.16 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2qxu h LEU 84 Cb 0.09 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2qxu h LEU 84 CO -0.02 0.58 -0.02 0.22 0.09 0.00 0.00 178.44 179.29 2qxu h TYR 85 N 0.21 1.06 -0.59 1.13 3.20 -0.77 0.40 116.97 121.62 2qxu h TYR 85 Ca 0.03 -0.19 0.02 0.00 3.14 0.00 0.00 58.73 61.72 2qxu h TYR 85 Cb 0.72 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 2qxu h TYR 85 CO 0.01 0.97 0.37 -0.92 -1.64 0.00 0.00 178.16 176.96 2qxu h TYR 86 N 0.85 0.71 -0.08 -3.82 3.20 -0.91 0.11 116.97 117.03 2qxu h TYR 86 Ca 0.15 0.02 -0.24 0.00 3.14 0.00 0.00 58.73 61.80 2qxu h TYR 86 Cb 0.56 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 38.61 2qxu h TYR 86 CO 0.04 0.42 -0.88 0.82 -1.64 0.00 0.00 178.16 176.92 2qxu h ILE 87 N 0.75 1.30 0.00 1.81 2.04 -1.15 -1.98 117.51 120.29 2qxu h ILE 87 Ca 0.23 -2.12 -0.01 0.00 1.00 0.00 0.00 64.86 63.95 2qxu h ILE 87 Cb -0.04 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2qxu h ILE 87 CO -0.07 0.66 -0.05 0.50 0.00 0.00 0.00 178.15 179.19 2qxu h LYS 88 N 0.44 0.03 0.00 2.37 3.64 -0.03 -3.35 116.57 119.67 2qxu h LYS 88 Ca -0.08 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.15 2qxu h LYS 88 Cb 1.52 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.32 2qxu h LYS 88 CO 0.17 0.90 -1.96 0.09 -2.27 0.00 0.00 179.45 176.39 2qxu n ASN 89 N -4.63 0.82 0.00 4.20 4.13 0.38 -5.02 115.26 115.14 2qxu n ASN 89 Ca -0.10 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.16 2qxu n ASN 89 Cb 0.45 1.48 0.00 0.00 -1.54 0.00 0.00 39.78 40.17 2qxu n ASN 89 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2qxu n LEU 90 N -2.32 0.00 -1.39 3.41 4.77 -0.94 -5.03 117.00 115.50 2qxu n LEU 90 Ca -0.13 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.92 2qxu n LEU 90 Cb 0.70 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 42.11 2qxu n LEU 90 CO 0.37 0.00 0.80 -0.90 -1.33 0.00 0.00 177.39 176.34 2qxu n ASP 91 N 0.00 4.70 0.11 -1.43 5.75 -1.17 -4.63 116.55 119.87 2qxu n ASP 91 Ca 0.00 -3.02 0.13 0.00 -0.01 0.00 0.00 54.79 51.88 2qxu n ASP 91 Cb 0.00 -0.62 0.45 0.00 -1.03 0.00 0.00 41.12 39.92 2qxu n ASP 91 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qxu n GLY 92 N -0.04 -1.52 0.50 6.12 0.00 -0.79 -4.05 105.19 105.42 2qxu n GLY 92 Ca 0.26 0.02 0.33 0.00 0.00 0.00 0.00 46.02 46.62 2qxu n GLY 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qxu h GLY 93 N 3.57 0.27 -0.81 -0.02 0.00 -1.79 -1.23 103.07 103.07 2qxu h GLY 93 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2qxu h GLY 93 CO 0.00 -0.04 0.00 1.16 0.00 0.00 0.00 176.54 177.66 2qxu n ASN 94 N -4.28 2.81 0.00 0.19 6.94 -1.26 -1.60 115.26 118.06 2qxu n ASN 94 Ca 0.25 -2.41 0.00 0.00 -0.02 0.00 0.00 54.58 52.40 2qxu n ASN 94 Cb 1.17 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 38.31 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 -0.31 -0.04 -5.09 -3.83 5.02 -0.47 -4.86 118.16 108.58 2qxu n LYS 95 Ca 0.12 -0.68 -0.30 0.00 -2.02 0.00 0.00 58.31 55.42 2qxu n LYS 95 Cb 0.52 -0.95 -0.17 0.00 -0.02 0.00 0.00 35.03 34.41 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 -0.22 1.83 -0.13 -0.18 1.01 -1.16 -1.47 120.40 120.08 2qxu s VAL 96 Ca 0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 2qxu s VAL 96 Cb 0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2qxu s VAL 96 CO 0.00 0.51 -0.26 0.00 0.00 0.00 0.00 175.10 175.35 2qxu n ALA 97 N 3.30 0.76 -2.85 5.51 0.00 -0.54 -4.64 120.51 122.06 2qxu n ALA 97 Ca -0.19 -0.66 -0.32 0.00 0.00 0.00 0.00 53.44 52.27 2qxu n ALA 97 Cb 0.52 0.03 -0.16 0.00 0.00 0.00 0.00 19.45 19.85 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 -5.48 3.40 -0.08 0.00 0.01 -1.26 -1.40 114.94 110.13 2qxu s ASN 98 Ca -0.22 -0.44 0.05 0.00 -0.71 0.00 0.00 52.86 51.55 2qxu s ASN 98 Cb 0.03 -1.10 -0.00 0.00 0.41 0.00 0.00 41.25 40.59 2qxu s ASN 98 CO 0.32 0.23 -0.24 -0.69 -1.51 0.00 0.00 177.10 175.21 2qxu s VAL 99 N -0.06 2.00 -0.12 1.60 1.01 0.11 -0.42 120.40 124.52 2qxu s VAL 99 Ca -0.06 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 2qxu s VAL 99 Cb -0.14 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.55 2qxu s VAL 99 CO 0.05 0.55 -0.04 -0.69 0.00 0.00 0.00 175.10 174.96 2qxu s VAL 100 N 0.14 0.83 -0.03 2.92 1.01 0.13 -1.21 120.40 124.19 2qxu s VAL 100 Ca -0.12 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2qxu s VAL 100 Cb -0.16 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 2qxu s VAL 100 CO 0.06 0.24 -0.03 0.42 0.00 0.00 0.00 175.10 175.80 2qxu s THR 101 N 1.78 4.00 -0.30 3.92 -4.23 -0.35 -0.54 115.64 119.91 2qxu s THR 101 Ca 0.04 -0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 60.02 2qxu s THR 101 Cb -0.13 -2.72 0.06 0.00 1.34 0.00 0.00 72.50 71.04 2qxu s THR 101 CO -0.07 0.48 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.72 2qxu s LEU 102 N -1.21 3.92 -1.51 4.79 1.43 0.17 -0.61 118.68 125.65 2qxu s LEU 102 Ca 0.16 -1.36 -0.13 0.00 -1.03 0.00 0.00 54.13 51.77 2qxu s LEU 102 Cb -0.11 -1.69 0.09 0.00 0.03 0.00 0.00 46.19 44.50 2qxu s LEU 102 CO 0.06 -0.27 0.87 0.61 0.23 0.00 0.00 176.35 177.86 2qxu n GLY 103 N 4.58 -0.50 3.76 -3.19 0.00 0.97 -1.72 105.19 109.09 2qxu n GLY 103 Ca -0.12 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.17 2.97 -0.85 -0.02 0.00 -1.26 -3.16 107.32 101.83 2qxu s GLY 104 Ca 0.61 0.99 -0.05 0.00 0.00 0.00 0.00 44.72 46.27 2qxu s GLY 104 CO 0.76 1.66 2.74 0.00 0.00 0.00 0.00 173.10 178.26 2qxu n ALA 105 N 1.39 6.70 -0.21 3.20 0.00 -0.86 -3.29 120.51 127.44 2qxu n ALA 105 Ca 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 53.44 50.05 2qxu n ALA 105 Cb 0.44 -2.53 0.07 0.00 0.00 0.00 0.00 19.45 17.44 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 3.82 0.50 0.06 0.00 2.35 -1.66 -2.60 115.58 118.04 2qxu h ASN 106 Ca 0.54 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.31 2qxu h ASN 106 Cb 0.60 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2qxu h ASN 106 CO 1.12 0.33 0.00 0.54 -1.65 0.00 0.00 177.43 177.78 2qxu n ARG 107 N -4.81 0.34 0.02 0.81 1.74 -0.01 -1.14 116.66 113.60 2qxu n ARG 107 Ca 0.07 0.04 0.10 0.00 -0.77 0.00 0.00 57.85 57.29 2qxu n ARG 107 Cb 0.14 -1.50 0.43 0.00 -1.02 0.00 0.00 32.46 30.51 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 -1.07 0.13 0.00 0.55 4.77 -0.98 -3.84 117.00 116.56 2qxu n LEU 108 Ca 0.09 0.52 -0.01 0.00 -0.03 0.00 0.00 56.01 56.58 2qxu n LEU 108 Cb 0.06 -0.50 -0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2qxu n LEU 108 CO 0.08 -0.20 -0.47 0.41 -1.33 0.00 0.00 177.39 175.87 2qxu n THR 109 N -1.63 0.24 -3.49 -5.08 -1.04 -0.29 -5.09 114.28 97.89 2qxu n THR 109 Ca 0.05 0.04 -0.10 0.00 -2.04 0.00 0.00 64.05 62.00 2qxu n THR 109 Cb 0.24 -1.53 -0.02 0.00 -1.82 0.00 0.00 70.33 67.20 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 -2.03 0.00 -1.69 12.58 -1.32 -0.84 -5.02 115.64 117.33 2qxu s THR 110 Ca -0.02 -0.10 0.15 0.00 -1.21 0.00 0.00 61.69 60.51 2qxu s THR 110 Cb 0.01 -1.12 0.25 0.00 -1.51 0.00 0.00 72.50 70.13 2qxu s THR 110 CO 0.02 0.00 1.15 0.61 -2.21 0.00 0.00 174.62 174.19 2qxu n GLY 111 N -0.35 1.19 3.54 6.08 0.00 -1.26 -3.10 105.19 111.29 2qxu n GLY 111 Ca -0.13 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.18 2.41 -1.01 1.61 1.02 -1.26 -0.29 119.74 121.04 2qxu s LYS 112 Ca 0.24 -0.79 -0.23 0.00 0.02 0.00 0.00 55.97 55.21 2qxu s LYS 112 Cb 0.15 -2.40 0.04 0.00 -0.52 0.00 0.00 37.83 35.10 2qxu s LYS 112 CO 0.21 0.59 1.49 0.00 -0.92 0.00 0.00 175.35 176.71 2qxu s ALA 113 N -0.94 2.63 0.09 5.17 0.00 -0.56 -4.83 121.76 123.31 2qxu s ALA 113 Ca 0.16 -2.19 -0.31 0.00 0.00 0.00 0.00 51.96 49.62 2qxu s ALA 113 Cb -0.11 -4.53 -0.10 0.00 0.00 0.00 0.00 23.12 18.38 2qxu s ALA 113 CO 0.06 -3.71 1.91 1.28 0.00 0.00 0.00 175.76 175.29 2qxu n LEU 114 N 9.30 4.12 0.23 0.00 4.77 -1.26 -4.78 117.00 129.38 2qxu n LEU 114 Ca 0.33 0.95 0.11 0.00 -0.03 0.00 0.00 56.01 57.37 2qxu n LEU 114 Cb 0.51 -1.54 0.49 0.00 -2.33 0.00 0.00 43.42 40.54 2qxu n LEU 114 CO 0.66 0.20 0.83 1.55 -1.33 0.00 0.00 177.39 179.30 2qxu h PRO 115 N 9.50 0.00 0.00 3.23 0.13 -1.86 -3.41 132.00 139.59 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 0.18 0.00 0.41 -0.23 0.00 0.00 178.00 179.30 2qxu n GLY 116 N 0.17 -1.79 0.13 1.56 0.00 -1.26 -0.62 105.19 103.39 2qxu n GLY 116 Ca 0.00 -1.79 0.03 0.00 0.00 0.00 0.00 46.02 44.26 2qxu n GLY 116 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qxu h THR 117 N 0.00 0.70 -3.64 2.61 1.35 -1.63 -3.45 112.91 108.85 2qxu h THR 117 Ca 0.00 -2.06 -0.68 0.00 -0.55 0.00 0.00 66.41 63.12 2qxu h THR 117 Cb 0.00 2.27 -0.24 0.00 -1.73 0.00 0.00 68.15 68.46 2qxu h THR 117 CO 0.00 0.40 -0.57 -0.62 -0.25 0.00 0.00 175.52 174.48 2qxu s ASP 118 N -6.24 5.48 0.49 5.36 -1.08 -1.26 -4.95 116.67 114.46 2qxu s ASP 118 Ca 0.02 -0.62 0.33 0.00 -0.52 0.00 0.00 52.55 51.76 2qxu s ASP 118 Cb 0.08 -1.98 1.60 0.00 -1.46 0.00 0.00 42.92 41.16 2qxu s ASP 118 CO 0.76 -0.22 2.00 1.55 0.52 0.00 0.00 175.17 179.78 2qxu h PRO 119 N 8.33 0.00 0.00 4.34 0.13 -1.92 -1.95 132.00 140.94 2qxu h PRO 119 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2qxu h PRO 119 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2qxu h PRO 119 CO 0.62 0.00 -0.90 0.09 -0.23 0.00 0.00 178.00 177.58 2qxu n ASN 120 N -2.76 0.77 -3.25 1.44 3.02 -1.26 -4.50 115.26 108.72 2qxu n ASN 120 Ca -0.01 -0.65 -0.25 0.00 -0.03 0.00 0.00 54.58 53.65 2qxu n ASN 120 Cb 0.16 0.79 -0.08 0.00 -0.61 0.00 0.00 39.78 40.05 2qxu n ASN 120 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2qxu n GLN 121 N -1.59 0.80 -2.37 3.52 0.00 -0.74 -5.12 117.38 111.88 2qxu n GLN 121 Ca 0.04 -3.35 -0.37 0.00 -0.00 0.00 0.00 57.00 53.32 2qxu n GLN 121 Cb 0.35 -1.37 -0.02 0.00 0.00 0.00 0.00 30.24 29.20 2qxu n GLN 121 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2qxu s LYS 122 N -1.11 3.96 0.14 3.69 1.02 -1.16 -4.44 119.74 121.84 2qxu s LYS 122 Ca 0.35 1.69 -0.31 0.00 0.02 0.00 0.00 55.97 57.72 2qxu s LYS 122 Cb 0.15 -2.50 -0.09 0.00 -0.52 0.00 0.00 37.83 34.86 2qxu s LYS 122 CO -0.12 -0.36 1.51 0.42 -0.92 0.00 0.00 175.35 175.88 2qxu s ILE 123 N -1.56 2.89 -0.06 2.17 1.01 0.21 -4.97 121.20 120.88 2qxu s ILE 123 Ca 0.60 0.63 -0.10 0.00 0.00 0.00 0.00 60.65 61.78 2qxu s ILE 123 Cb -0.27 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 2qxu s ILE 123 CO 0.33 0.05 0.25 -0.76 0.00 0.00 0.00 174.94 174.80 2qxu s LEU 124 N 1.20 4.42 0.04 2.97 1.43 -0.49 -4.64 118.68 123.61 2qxu s LEU 124 Ca 0.68 0.65 0.07 0.00 -1.03 0.00 0.00 54.13 54.50 2qxu s LEU 124 Cb -0.41 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 2qxu s LEU 124 CO 0.31 0.36 -0.20 -0.31 0.23 0.00 0.00 176.35 176.75 2qxu s TYR 125 N -1.08 1.71 -0.17 0.29 1.51 -0.49 0.07 117.35 119.18 2qxu s TYR 125 Ca 0.19 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.85 2qxu s TYR 125 Cb -0.14 -1.02 0.06 0.00 -0.11 0.00 0.00 41.96 40.75 2qxu s TYR 125 CO 0.09 0.08 0.06 0.99 -1.11 0.00 0.00 175.55 175.66 2qxu s THR 126 N -0.80 0.19 -0.37 -0.71 2.01 -0.35 -1.83 115.64 113.79 2qxu s THR 126 Ca 0.06 -0.32 -0.10 0.00 0.31 0.00 0.00 61.69 61.65 2qxu s THR 126 Cb -0.09 -0.76 0.03 0.00 0.01 0.00 0.00 72.50 71.69 2qxu s THR 126 CO 0.02 -0.22 0.20 -0.55 -0.69 0.00 0.00 174.62 173.37 2qxu s SER 127 N 2.01 5.68 -0.18 3.53 0.15 0.02 -1.21 113.70 123.70 2qxu s SER 127 Ca 0.01 -1.03 -0.09 0.00 0.70 0.00 0.00 55.95 55.53 2qxu s SER 127 Cb -0.16 -2.00 -0.05 0.00 -1.71 0.00 0.00 66.02 62.10 2qxu s SER 127 CO -0.08 -0.39 0.14 -0.63 1.20 0.00 0.00 173.24 173.48 2qxu s ILE 128 N 1.53 5.43 -0.07 6.45 1.01 0.22 -0.82 121.20 134.94 2qxu s ILE 128 Ca 0.01 0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.69 2qxu s ILE 128 Cb -0.19 -3.46 0.04 0.00 0.01 0.00 0.00 42.46 38.86 2qxu s ILE 128 CO 0.06 0.48 0.43 -0.72 0.00 0.00 0.00 174.94 175.19 2qxu s TYR 129 N 0.03 -0.38 -0.04 3.97 -0.85 -0.73 -0.02 117.35 119.32 2qxu s TYR 129 Ca 0.10 0.76 -0.02 0.00 -0.52 0.00 0.00 57.07 57.39 2qxu s TYR 129 Cb -0.11 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 2qxu s TYR 129 CO -0.00 -0.38 0.09 0.45 -1.52 0.00 0.00 175.55 174.18 2qxu s SER 130 N -0.76 5.80 0.08 -0.18 0.15 -1.26 -0.37 113.70 117.16 2qxu s SER 130 Ca -0.08 0.23 0.18 0.00 0.70 0.00 0.00 55.95 56.97 2qxu s SER 130 Cb -0.03 -1.72 0.74 0.00 -1.71 0.00 0.00 66.02 63.29 2qxu s SER 130 CO 0.04 0.32 1.55 -1.54 1.20 0.00 0.00 173.24 174.81 2qxu n SER 131 N 1.51 0.20 -0.81 5.45 3.41 -0.31 -1.98 113.62 121.09 2qxu n SER 131 Ca -0.15 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.13 2qxu n SER 131 Cb 0.53 -0.59 0.27 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.58 2.49 -1.96 7.33 0.00 -1.26 -4.92 120.51 120.61 2qxu n ALA 132 Ca 0.03 -0.64 -0.43 0.00 0.00 0.00 0.00 53.44 52.40 2qxu n ALA 132 Cb 0.19 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.89 6.38 0.00 0.00 -1.08 -0.84 -4.66 116.67 114.57 2qxu s ASP 133 Ca 0.33 1.99 0.24 0.00 -0.52 0.00 0.00 52.55 54.59 2qxu s ASP 133 Cb 0.20 -2.53 0.25 0.00 -1.46 0.00 0.00 42.92 39.38 2qxu s ASP 133 CO 0.31 -1.20 1.24 0.23 0.52 0.00 0.00 175.17 176.27 2qxu n MET 134 N 7.60 0.86 -0.12 4.34 2.81 -1.26 -4.45 117.12 126.90 2qxu n MET 134 Ca 0.20 -0.64 -0.19 0.00 -1.81 0.00 0.00 57.70 55.25 2qxu n MET 134 Cb 0.44 -1.49 -0.10 0.00 -0.71 0.00 0.00 33.22 31.36 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 -0.51 1.31 -4.05 2.02 2.08 -1.26 -4.90 119.36 114.05 2qxu n ILE 135 Ca 0.09 -0.44 -0.32 0.00 0.56 0.00 0.00 62.75 62.65 2qxu n ILE 135 Cb 0.40 -1.49 -0.15 0.00 -0.75 0.00 0.00 39.64 37.65 2qxu n ILE 135 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2qxu s VAL 136 N -2.45 2.17 0.36 1.39 1.01 -1.26 -5.10 120.40 116.52 2qxu s VAL 136 Ca -0.32 -1.78 -0.28 0.00 0.00 0.00 0.00 61.98 59.60 2qxu s VAL 136 Cb 0.10 -2.35 -0.12 0.00 0.00 0.00 0.00 36.38 34.01 2qxu s VAL 136 CO 0.49 -0.16 1.42 0.23 0.00 0.00 0.00 175.10 177.08 2qxu n MET 137 N 4.40 2.46 0.29 2.72 2.81 -1.26 -4.82 117.12 123.72 2qxu n MET 137 Ca -0.10 0.86 0.15 0.00 -1.81 0.00 0.00 57.70 56.80 2qxu n MET 137 Cb 0.42 -2.54 0.91 0.00 -0.71 0.00 0.00 33.22 31.30 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 2.93 0.00 0.34 7.83 2.35 -1.88 -1.69 115.58 125.46 2qxu h ASN 138 Ca -0.49 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.24 2qxu h ASN 138 Cb 1.26 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.62 2qxu h ASN 138 CO 0.64 0.00 -0.10 0.10 -1.65 0.00 0.00 177.43 176.43 2qxu h TYR 139 N 0.00 0.00 0.00 1.19 -0.00 -1.97 -1.84 116.97 114.35 2qxu h TYR 139 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2qxu h TYR 139 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.76 2qxu h TYR 139 CO 0.00 0.10 -0.15 -0.07 -0.00 0.00 0.00 178.16 178.04 2qxu h LEU 140 N 0.00 0.00 0.00 0.10 3.38 -1.62 -3.35 115.31 113.82 2qxu h LEU 140 Ca -0.00 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 2qxu h LEU 140 Cb 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2qxu h LEU 140 CO 0.01 0.01 -1.53 0.28 0.09 0.00 0.00 178.44 177.30 2qxu h SER 141 N 0.00 0.00 -3.36 -0.43 0.02 -1.32 0.17 113.55 108.63 2qxu h SER 141 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 2qxu h SER 141 Cb 0.90 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.47 2qxu h SER 141 CO 0.00 0.91 0.65 -0.13 -1.14 0.00 0.00 176.83 177.11 2qxu s ARG 142 N -2.68 4.39 -0.08 3.45 0.52 -1.18 -4.77 118.95 118.60 2qxu s ARG 142 Ca -0.03 2.03 0.05 0.00 -0.52 0.00 0.00 55.73 57.25 2qxu s ARG 142 Cb 0.08 -3.21 -0.00 0.00 0.52 0.00 0.00 34.95 32.34 2qxu s ARG 142 CO 0.82 -0.25 -0.23 -0.51 0.02 0.00 0.00 175.30 175.14 2qxu s LEU 143 N 0.01 2.04 -0.01 2.53 1.43 -1.26 -4.83 118.68 118.59 2qxu s LEU 143 Ca 0.57 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 2qxu s LEU 143 Cb -0.36 -1.33 -0.06 0.00 0.03 0.00 0.00 46.19 44.48 2qxu s LEU 143 CO 0.37 0.19 1.46 -1.81 0.23 0.00 0.00 176.35 176.79 2qxu s ASP 144 N 0.14 6.80 0.00 2.29 1.01 0.60 -2.42 116.67 125.08 2qxu s ASP 144 Ca -0.11 2.15 0.00 0.00 0.71 0.00 0.00 52.55 55.29 2qxu s ASP 144 Cb -0.16 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.22 2qxu s ASP 144 CO 0.06 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.28 2qxu n GLY 145 N 3.75 1.73 4.00 0.21 0.00 -1.26 -1.50 105.19 112.12 2qxu n GLY 145 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 4.25 -0.43 4.61 0.00 -1.02 -1.29 121.76 125.46 2qxu s ALA 146 Ca 0.00 -1.60 -0.23 0.00 0.00 0.00 0.00 51.96 50.14 2qxu s ALA 146 Cb 0.00 -1.81 0.02 0.00 0.00 0.00 0.00 23.12 21.33 2qxu s ALA 146 CO 0.00 -0.60 0.76 0.50 0.00 0.00 0.00 175.76 176.42 2qxu s ARG 147 N -4.60 3.46 -0.29 0.00 3.52 -0.95 -4.93 118.95 115.17 2qxu s ARG 147 Ca 0.57 -0.06 -0.10 0.00 -0.13 0.00 0.00 55.73 56.01 2qxu s ARG 147 Cb -0.09 -3.91 -0.03 0.00 -1.56 0.00 0.00 34.95 29.35 2qxu s ARG 147 CO 0.36 -1.04 0.16 -0.80 -0.81 0.00 0.00 175.30 173.17 2qxu s ASN 148 N 2.06 5.70 -0.25 -2.12 0.01 -1.26 -0.80 114.94 118.27 2qxu s ASN 148 Ca 0.29 -0.24 -0.01 0.00 -0.71 0.00 0.00 52.86 52.19 2qxu s ASN 148 Cb -0.13 -2.05 0.03 0.00 0.41 0.00 0.00 41.25 39.52 2qxu s ASN 148 CO 0.21 -0.11 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.93 2qxu s VAL 149 N 1.68 2.75 -0.09 1.60 1.01 0.00 -4.98 120.40 122.38 2qxu s VAL 149 Ca 0.06 -1.13 -0.15 0.00 0.00 0.00 0.00 61.98 60.76 2qxu s VAL 149 Cb -0.16 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 2qxu s VAL 149 CO 0.08 0.16 0.38 -1.58 0.00 0.00 0.00 175.10 174.14 2qxu s GLN 150 N 1.29 4.12 0.48 2.72 0.74 -1.26 -1.77 119.66 125.97 2qxu s GLN 150 Ca -0.01 0.30 0.02 0.00 0.05 0.00 0.00 55.36 55.71 2qxu s GLN 150 Cb -0.17 -3.34 -0.01 0.00 1.10 0.00 0.00 33.01 30.58 2qxu s GLN 150 CO -0.05 0.41 0.05 0.96 -0.55 0.00 0.00 175.29 176.11 2qxu s ILE 151 N -0.12 0.92 0.37 -2.34 -4.36 0.50 -4.96 121.20 111.21 2qxu s ILE 151 Ca 0.22 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.65 2qxu s ILE 151 Cb -0.15 -2.19 -0.03 0.00 1.25 0.00 0.00 42.46 41.34 2qxu s ILE 151 CO 0.09 0.00 0.15 -1.00 0.24 0.00 0.00 174.94 174.42 2qxu s HIS 152 N -2.99 1.75 0.00 1.37 3.76 -1.26 -1.16 115.29 116.75 2qxu s HIS 152 Ca 0.11 -1.33 0.00 0.00 -0.15 0.00 0.00 55.06 53.69 2qxu s HIS 152 Cb 0.01 -1.04 0.00 0.00 1.11 0.00 0.00 32.58 32.66 2qxu s HIS 152 CO 0.07 -0.40 0.00 0.41 -0.85 0.00 0.00 174.74 173.97 2qxu n GLY 153 N -0.78 0.49 3.78 -2.22 0.00 -1.26 -4.88 105.19 100.32 2qxu n GLY 153 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2qxu n GLY 153 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qxu s VAL 154 N 0.00 3.89 0.54 1.61 -7.23 -1.26 -4.87 120.40 113.07 2qxu s VAL 154 Ca 0.00 1.50 0.01 0.00 -1.81 0.00 0.00 61.98 61.68 2qxu s VAL 154 Cb 0.00 -3.80 0.10 0.00 0.56 0.00 0.00 36.38 33.24 2qxu s VAL 154 CO 0.00 0.06 0.74 0.61 -0.31 0.00 0.00 175.10 176.20 2qxu n GLY 155 N 0.42 0.83 0.36 2.32 0.00 -1.26 -4.04 105.19 103.83 2qxu n GLY 155 Ca 0.04 -2.04 0.08 0.00 0.00 0.00 0.00 46.02 44.10 2qxu n GLY 155 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2qxu h HIS 156 N -0.48 1.09 0.18 1.61 2.76 -1.94 -1.96 115.15 116.42 2qxu h HIS 156 Ca -0.24 0.03 -0.32 0.00 -2.20 0.00 0.00 60.37 57.64 2qxu h HIS 156 Cb 0.93 -0.34 0.01 0.00 1.55 0.00 0.00 27.41 29.56 2qxu h HIS 156 CO 0.00 0.41 -1.51 0.82 -1.30 0.00 0.00 177.93 176.36 2qxu h ILE 157 N 0.93 1.22 0.00 6.26 1.08 -2.00 -3.30 117.51 121.70 2qxu h ILE 157 Ca 0.50 -2.76 0.00 0.00 -0.39 0.00 0.00 64.86 62.21 2qxu h ILE 157 Cb 0.56 2.89 0.00 0.00 -3.07 0.00 0.00 36.82 37.20 2qxu h ILE 157 CO -0.26 0.84 0.07 1.23 -0.69 0.00 0.00 178.15 179.34 2qxu h GLY 158 N 0.95 0.00 2.00 5.37 0.00 -1.73 -1.81 103.07 107.86 2qxu h GLY 158 Ca -0.25 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2qxu h GLY 158 CO 0.21 0.00 -0.07 1.41 0.00 0.00 0.00 176.54 178.10 2qxu h LEU 159 N 0.00 0.00 -0.05 3.11 3.38 -1.50 -1.97 115.31 118.29 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 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2qxu h LEU 159 CO 0.00 0.07 -0.18 0.18 0.09 0.00 0.00 178.44 178.60 2qxu n LEU 160 N -4.21 0.26 -2.82 1.67 4.77 -0.68 -4.10 117.00 111.89 2qxu n LEU 160 Ca -0.03 0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 56.04 2qxu n LEU 160 Cb 0.15 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 40.90 2qxu n LEU 160 CO 0.33 0.06 -0.11 -1.22 -1.33 0.00 0.00 177.39 175.11 2qxu n TYR 161 N -1.37 1.19 -4.79 -1.77 4.01 -0.75 -4.21 117.16 109.48 2qxu n TYR 161 Ca 0.08 -3.20 -0.27 0.00 -0.16 0.00 0.00 57.90 54.35 2qxu n TYR 161 Cb 0.32 -0.37 -0.17 0.00 -0.31 0.00 0.00 39.34 38.81 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 -2.96 2.26 0.22 7.72 0.15 -1.16 -4.98 113.70 114.95 2qxu s SER 162 Ca 0.34 -0.40 -0.08 0.00 0.70 0.00 0.00 55.95 56.52 2qxu s SER 162 Cb 0.41 -1.04 0.19 0.00 -1.71 0.00 0.00 66.02 63.87 2qxu s SER 162 CO -0.03 0.08 1.84 -1.28 1.20 0.00 0.00 173.24 175.05 2qxu h SER 163 N 6.91 1.06 -0.47 5.45 0.87 -1.95 0.44 113.55 125.86 2qxu h SER 163 Ca -0.27 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.10 2qxu h SER 163 Cb 1.20 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 2qxu h SER 163 CO 0.47 0.86 -0.04 -0.61 -0.53 0.00 0.00 176.83 176.98 2qxu h GLN 164 N 1.19 0.87 -0.41 2.24 4.15 -1.99 -1.73 115.11 119.42 2qxu h GLN 164 Ca 0.30 -0.30 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 2qxu h GLN 164 Cb 0.04 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 2qxu h GLN 164 CO -0.05 0.93 0.09 0.28 -1.93 0.00 0.00 178.83 178.16 2qxu h VAL 165 N 0.72 1.23 -0.58 2.39 2.07 -1.82 -2.12 116.25 118.14 2qxu h VAL 165 Ca 0.13 -0.82 0.07 0.00 0.82 0.00 0.00 66.70 66.90 2qxu h VAL 165 Cb 0.57 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 2qxu h VAL 165 CO 0.03 0.28 0.27 0.78 0.02 0.00 0.00 177.57 178.95 2qxu h ASN 166 N 0.53 0.34 -0.77 0.57 2.35 -0.73 0.13 115.58 118.00 2qxu h ASN 166 Ca 0.13 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 2qxu h ASN 166 Cb 0.33 -0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 2qxu h ASN 166 CO 0.00 0.22 0.42 0.28 -1.65 0.00 0.00 177.43 176.70 2qxu h SER 167 N 0.49 0.98 0.31 5.81 0.02 -1.09 -1.67 113.55 118.40 2qxu h SER 167 Ca 0.28 -0.09 -0.15 0.00 -0.84 0.00 0.00 61.79 60.99 2qxu h SER 167 Cb 0.26 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2qxu h SER 167 CO -0.23 0.79 -0.60 -0.07 -1.14 0.00 0.00 176.83 175.59 2qxu h LEU 168 N 1.10 0.32 -0.52 5.07 3.38 -0.60 -2.34 115.31 121.72 2qxu h LEU 168 Ca 0.28 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2qxu h LEU 168 Cb 0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2qxu h LEU 168 CO -0.04 0.84 0.15 0.40 0.09 0.00 0.00 178.44 179.88 2qxu h ILE 169 N 0.21 1.24 -0.35 1.22 2.04 -0.28 0.15 117.51 121.73 2qxu h ILE 169 Ca -0.00 -0.80 0.03 0.00 1.00 0.00 0.00 64.86 65.08 2qxu h ILE 169 Cb 1.10 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2qxu h ILE 169 CO 0.09 0.30 0.17 0.50 0.00 0.00 0.00 178.15 179.21 2qxu h LYS 170 N 0.72 0.35 -0.37 2.37 3.64 -1.13 -0.20 116.57 121.94 2qxu h LYS 170 Ca 0.17 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2qxu h LYS 170 Cb 0.29 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2qxu h LYS 170 CO -0.00 0.23 0.19 0.93 -2.27 0.00 0.00 179.45 178.53 2qxu h GLU 171 N 0.36 0.52 -0.10 1.90 5.08 -1.11 -1.51 114.58 119.72 2qxu h GLU 171 Ca 0.15 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2qxu h GLU 171 Cb 0.07 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2qxu h GLU 171 CO -0.11 0.45 0.07 0.78 -1.00 0.00 0.00 179.01 179.20 2qxu h GLY 172 N 0.47 0.00 0.49 -3.84 0.00 -0.15 0.44 103.07 100.47 2qxu h GLY 172 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2qxu h GLY 172 CO -0.02 0.00 -0.51 1.04 0.00 0.00 0.00 176.54 177.05 2qxu n LEU 173 N -4.46 0.83 -0.82 3.11 4.77 -0.14 -4.09 117.00 116.21 2qxu n LEU 173 Ca -0.01 -0.20 0.04 0.00 -0.03 0.00 0.00 56.01 55.81 2qxu n LEU 173 Cb 0.19 -0.16 0.22 0.00 -2.33 0.00 0.00 43.42 41.33 2qxu n LEU 173 CO 0.34 0.18 0.66 0.59 -1.33 0.00 0.00 177.39 177.83 2qxu n ASN 174 N -1.16 3.01 0.00 -1.43 3.02 -0.52 -4.93 115.26 113.25 2qxu n ASN 174 Ca 0.07 -3.34 0.00 0.00 -0.03 0.00 0.00 54.58 51.28 2qxu n ASN 174 Cb 0.35 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 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 -0.92 0.88 0.03 7.41 0.00 -1.13 -4.95 105.19 106.51 2qxu n GLY 175 Ca 0.24 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.66 -1.26 3.62 -0.02 0.00 0.14 -4.87 105.19 101.15 2qxu n GLY 176 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 2qxu n GLY 176 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qxu s GLY 177 N -2.78 1.57 0.07 -0.02 0.00 -1.26 -4.79 107.32 100.12 2qxu s GLY 177 Ca 0.20 -0.68 -0.22 0.00 0.00 0.00 0.00 44.72 44.03 2qxu s GLY 177 CO 0.53 0.09 0.51 1.62 0.00 0.00 0.00 173.10 175.86 2qxu s GLN 178 N -5.18 1.07 -0.30 2.90 0.74 -0.76 -4.78 119.66 113.35 2qxu s GLN 178 Ca 0.68 -0.34 0.03 0.00 0.05 0.00 0.00 55.36 55.79 2qxu s GLN 178 Cb -0.14 0.49 0.20 0.00 1.10 0.00 0.00 33.01 34.65 2qxu s GLN 178 CO 0.57 -0.41 0.67 1.21 -0.55 0.00 0.00 175.29 176.79 2qxu s ASN 179 N -2.20 -1.42 0.00 6.67 3.84 -1.06 -1.40 114.94 119.37 2qxu s ASN 179 Ca -0.03 0.09 0.10 0.00 0.21 0.00 0.00 52.86 53.23 2qxu s ASN 179 Cb -0.00 1.89 0.34 0.00 -0.55 0.00 0.00 41.25 42.93 2qxu s ASN 179 CO -0.05 -0.25 1.26 0.35 -2.79 0.00 0.00 177.10 175.62 2qxu n THR 180 N 5.27 0.28 1.36 -5.21 -2.24 -0.41 -5.02 114.28 108.32 2qxu n THR 180 Ca 0.06 -0.30 0.13 0.00 -2.27 0.00 0.00 64.05 61.68 2qxu n THR 180 Cb 0.55 0.16 0.41 0.00 -2.10 0.00 0.00 70.33 69.34 2qxu n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09