#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 4.95 0.64 0.41 0.01 -1.26 -4.98 114.94 114.71 2qxu s ASN 4 Ca 0.00 1.61 -0.18 0.00 -0.71 0.00 0.00 52.86 53.59 2qxu s ASN 4 Cb 0.00 -2.42 -0.01 0.00 0.41 0.00 0.00 41.25 39.23 2qxu s ASN 4 CO 0.00 -1.72 1.22 -2.84 -1.51 0.00 0.00 177.10 172.25 2qxu s PRO 5 N -5.02 2.69 -0.16 -0.60 0.02 -1.26 -4.70 135.00 125.97 2qxu s PRO 5 Ca 0.59 1.82 -0.02 0.00 0.02 0.00 0.00 61.00 63.42 2qxu s PRO 5 Cb -0.15 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 2qxu s PRO 5 CO 0.55 -1.42 -0.09 0.08 -0.33 0.00 0.00 177.00 175.79 2qxu s VAL 6 N -1.70 3.36 -0.26 3.83 1.01 0.10 -1.50 120.40 125.24 2qxu s VAL 6 Ca 0.77 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 2qxu s VAL 6 Cb -0.31 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 2qxu s VAL 6 CO 0.38 0.49 0.04 -0.69 0.00 0.00 0.00 175.10 175.32 2qxu s VAL 7 N 0.60 3.93 -0.18 2.92 1.01 -0.31 0.52 120.40 128.89 2qxu s VAL 7 Ca -0.05 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 2qxu s VAL 7 Cb -0.15 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2qxu s VAL 7 CO 0.03 0.26 0.25 -0.04 0.00 0.00 0.00 175.10 175.60 2qxu s MET 8 N 1.53 4.21 -0.27 2.72 -1.94 0.13 -2.15 119.30 123.54 2qxu s MET 8 Ca 0.05 -0.01 -0.01 0.00 -1.71 0.00 0.00 55.69 54.01 2qxu s MET 8 Cb -0.16 -3.45 0.04 0.00 2.01 0.00 0.00 34.83 33.27 2qxu s MET 8 CO 0.01 0.20 -0.04 0.08 -0.01 0.00 0.00 175.02 175.26 2qxu s VAL 9 N 0.62 2.80 0.82 -6.03 1.01 -0.24 -2.00 120.40 117.38 2qxu s VAL 9 Ca 0.14 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 60.72 2qxu s VAL 9 Cb -0.13 -2.54 0.09 0.00 0.00 0.00 0.00 36.38 33.80 2qxu s VAL 9 CO 0.03 0.03 1.14 -1.38 0.00 0.00 0.00 175.10 174.92 2qxu s HIS 10 N 1.26 2.86 0.00 5.22 -3.43 -1.26 -1.28 115.29 118.65 2qxu s HIS 10 Ca -0.04 0.90 0.00 0.00 -0.80 0.00 0.00 55.06 55.12 2qxu s HIS 10 Cb -0.19 -3.33 0.00 0.00 -1.43 0.00 0.00 32.58 27.63 2qxu s HIS 10 CO -0.03 -1.86 0.00 0.41 -2.00 0.00 0.00 174.74 171.26 2qxu n GLY 11 N -2.73 3.97 3.69 -1.38 0.00 -1.16 -3.37 105.19 104.22 2qxu n GLY 11 Ca 0.07 -2.00 -0.44 0.00 0.00 0.00 0.00 46.02 43.64 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 0.15 -0.98 -0.61 5.41 -1.26 -1.09 119.36 120.98 2qxu n ILE 12 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.72 2qxu n ILE 12 Cb 0.00 -1.82 0.00 0.00 -0.71 0.00 0.00 39.64 37.11 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 3.86 0.32 2.85 7.39 0.00 -0.50 -5.00 105.19 114.11 2qxu n GLY 13 Ca 0.18 0.00 -0.18 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 -1.41 0.28 3.47 -0.02 0.00 -0.25 -5.13 105.19 102.13 2qxu n GLY 14 Ca 0.00 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.96 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 -3.24 -1.72 0.48 4.61 0.00 -1.26 -4.87 121.76 115.75 2qxu s ALA 15 Ca 0.50 0.84 0.29 0.00 0.00 0.00 0.00 51.96 53.59 2qxu s ALA 15 Cb -0.03 0.52 1.36 0.00 0.00 0.00 0.00 23.12 24.98 2qxu s ALA 15 CO 0.34 -0.67 1.80 0.66 0.00 0.00 0.00 175.76 177.89 2qxu h SER 16 N 2.13 0.18 0.43 0.00 4.64 -1.87 0.91 113.55 119.97 2qxu h SER 16 Ca -0.28 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2qxu h SER 16 Cb 1.26 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2qxu h SER 16 CO 0.35 0.03 0.00 2.19 -0.87 0.00 0.00 176.83 178.53 2qxu h PHE 17 N 0.16 0.00 0.00 4.77 -5.15 -1.95 -2.40 116.94 112.37 2qxu h PHE 17 Ca 0.56 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 58.32 2qxu h PHE 17 Cb 1.89 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 38.06 2qxu h PHE 17 CO -0.00 0.00 -0.03 -0.91 -2.00 0.00 0.00 178.31 175.37 2qxu h ASN 18 N 0.00 0.00 -0.54 -0.68 2.35 -1.22 -2.27 115.58 113.22 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 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2qxu h ASN 18 CO 0.00 0.03 0.00 0.49 -1.65 0.00 0.00 177.43 176.30 2qxu n PHE 19 N -3.36 1.08 -0.07 1.19 3.72 -0.90 -4.52 117.46 114.60 2qxu n PHE 19 Ca -0.02 -0.45 -0.07 0.00 -0.05 0.00 0.00 57.45 56.85 2qxu n PHE 19 Cb 0.14 -0.15 -0.01 0.00 -0.94 0.00 0.00 39.48 38.52 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 3.90 0.18 -0.43 4.37 0.00 -1.59 0.63 119.26 126.32 2qxu h ALA 20 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qxu h ALA 20 Cb 1.09 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2qxu h ALA 20 CO 0.14 -0.47 0.26 0.78 0.00 0.00 0.00 179.25 179.96 2qxu h GLY 21 N 0.00 0.63 1.00 0.00 0.00 -1.81 -1.20 103.07 101.69 2qxu h GLY 21 Ca 0.13 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 2qxu h GLY 21 CO -0.27 0.25 0.25 -2.22 0.00 0.00 0.00 176.54 174.56 2qxu h ILE 22 N 0.57 1.23 -0.04 2.60 1.08 -1.64 -0.39 117.51 120.93 2qxu h ILE 22 Ca 0.15 -0.71 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 2qxu h ILE 22 Cb 0.00 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.29 2qxu h ILE 22 CO -0.03 0.28 0.02 0.50 -0.69 0.00 0.00 178.15 178.23 2qxu h LYS 23 N 0.86 0.04 -0.64 2.37 3.64 -0.65 -0.03 116.57 122.15 2qxu h LYS 23 Ca 0.21 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2qxu h LYS 23 Cb 0.19 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2qxu h LYS 23 CO -0.02 0.03 0.33 0.77 -2.27 0.00 0.00 179.45 178.29 2qxu h SER 24 N 0.04 0.80 0.18 4.20 0.02 -1.00 -1.47 113.55 116.32 2qxu h SER 24 Ca 0.02 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2qxu h SER 24 Cb 0.01 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.34 2qxu h SER 24 CO -0.02 0.66 -0.09 0.22 -1.14 0.00 0.00 176.83 176.47 2qxu h TYR 25 N 0.90 -0.23 -0.79 3.45 3.20 -0.51 -2.40 116.97 120.60 2qxu h TYR 25 Ca 0.23 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.10 2qxu h TYR 25 Cb 0.06 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 2qxu h TYR 25 CO 0.01 -0.01 0.52 -0.07 -1.64 0.00 0.00 178.16 176.97 2qxu h LEU 26 N -0.41 0.89 -1.12 2.82 3.38 -0.75 -1.26 115.31 118.84 2qxu h LEU 26 Ca -0.03 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2qxu h LEU 26 Cb 0.32 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2qxu h LEU 26 CO 0.04 0.63 0.60 0.58 0.09 0.00 0.00 178.44 180.38 2qxu h VAL 27 N 1.05 1.10 0.00 1.22 2.07 -1.23 0.73 116.25 121.20 2qxu h VAL 27 Ca 0.29 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2qxu h VAL 27 Cb -0.09 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.60 2qxu h VAL 27 CO -0.07 0.20 0.00 -1.54 0.02 0.00 0.00 177.57 176.17 2qxu n SER 28 N -4.47 0.58 -1.06 0.57 3.41 -0.51 -2.15 113.62 109.99 2qxu n SER 28 Ca 0.13 0.67 0.08 0.00 -0.26 0.00 0.00 58.87 59.49 2qxu n SER 28 Cb 0.16 -0.78 0.26 0.00 -0.26 0.00 0.00 64.21 63.58 2qxu n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qxu n GLN 29 N -2.17 3.09 0.00 4.33 1.13 0.18 -4.95 117.38 119.00 2qxu n GLN 29 Ca 0.01 -2.51 0.00 0.00 -1.94 0.00 0.00 57.00 52.56 2qxu n GLN 29 Cb 0.18 -1.58 0.00 0.00 0.11 0.00 0.00 30.24 28.95 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 0.73 0.67 3.79 1.08 0.00 -0.91 -5.07 105.19 105.47 2qxu n GLY 30 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 3.64 -0.20 1.61 0.51 -0.75 -5.00 118.94 116.75 2qxu s TRP 31 Ca 0.00 1.69 -0.28 0.00 -2.12 0.00 0.00 56.10 55.39 2qxu s TRP 31 Cb 0.00 -2.86 0.00 0.00 -0.81 0.00 0.00 33.47 29.80 2qxu s TRP 31 CO 0.00 0.20 1.00 -1.12 -0.51 0.00 0.00 176.95 176.51 2qxu s SER 32 N -1.69 7.09 0.36 2.95 0.01 -1.26 -4.16 113.70 117.00 2qxu s SER 32 Ca 0.50 1.36 0.14 0.00 1.31 0.00 0.00 55.95 59.26 2qxu s SER 32 Cb -0.17 -2.53 1.00 0.00 0.21 0.00 0.00 66.02 64.53 2qxu s SER 32 CO 0.22 -0.59 1.75 -0.09 0.41 0.00 0.00 173.24 174.94 2qxu h ARG 33 N 7.39 0.47 0.00 12.44 9.65 -1.94 0.34 114.38 142.73 2qxu h ARG 33 Ca -0.23 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 2qxu h ARG 33 Cb 1.09 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 2qxu h ARG 33 CO 0.93 0.31 0.00 -0.25 2.80 0.00 0.00 179.97 183.76 2qxu n ASP 34 N -4.75 0.00 -0.67 -3.80 8.00 -1.26 -3.01 116.55 111.06 2qxu n ASP 34 Ca 0.26 -0.85 0.09 0.00 0.71 0.00 0.00 54.79 55.00 2qxu n ASP 34 Cb 0.82 -0.05 0.23 0.00 -0.02 0.00 0.00 41.12 42.10 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 -1.05 2.51 -4.04 -1.24 5.02 0.12 -4.90 118.16 114.58 2qxu n LYS 35 Ca 0.22 -2.75 -0.33 0.00 -2.02 0.00 0.00 58.31 53.43 2qxu n LYS 35 Cb 0.13 -1.74 -0.15 0.00 -0.02 0.00 0.00 35.03 33.25 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 -2.78 3.12 0.14 -0.35 1.43 -1.16 -0.72 118.68 118.35 2qxu s LEU 36 Ca 0.39 -1.08 0.09 0.00 -1.03 0.00 0.00 54.13 52.50 2qxu s LEU 36 Cb 0.32 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 2qxu s LEU 36 CO 0.07 -0.14 -0.16 -0.31 0.23 0.00 0.00 176.35 176.05 2qxu s TYR 37 N 1.22 2.57 -0.06 0.29 1.51 0.19 -4.96 117.35 118.10 2qxu s TYR 37 Ca -0.03 -0.25 -0.01 0.00 -1.01 0.00 0.00 57.07 55.78 2qxu s TYR 37 Cb -0.17 -1.33 0.03 0.00 -0.11 0.00 0.00 41.96 40.37 2qxu s TYR 37 CO -0.06 0.43 -0.00 0.00 -1.11 0.00 0.00 175.55 174.80 2qxu s ALA 38 N -1.32 0.60 0.63 3.71 0.00 -1.26 0.22 121.76 124.34 2qxu s ALA 38 Ca 0.20 -0.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.01 2qxu s ALA 38 Cb -0.10 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 2qxu s ALA 38 CO 0.12 -0.32 1.04 0.54 0.00 0.00 0.00 175.76 177.13 2qxu s VAL 39 N 1.65 4.53 -0.23 0.00 0.11 -0.85 -4.80 120.40 120.82 2qxu s VAL 39 Ca -0.00 0.81 -0.01 0.00 -2.93 0.00 0.00 61.98 59.85 2qxu s VAL 39 Cb -0.13 -3.81 0.06 0.00 -1.53 0.00 0.00 36.38 30.98 2qxu s VAL 39 CO -0.04 -1.07 -0.00 -1.81 -3.33 0.00 0.00 175.10 168.86 2qxu s ASP 40 N -4.21 3.49 0.04 3.54 1.01 -1.26 -3.67 116.67 115.61 2qxu s ASP 40 Ca 0.55 -1.09 -0.24 0.00 0.71 0.00 0.00 52.55 52.48 2qxu s ASP 40 Cb -0.11 -0.91 -0.06 0.00 1.01 0.00 0.00 42.92 42.85 2qxu s ASP 40 CO 0.53 -0.28 0.74 -0.36 0.21 0.00 0.00 175.17 176.01 2qxu s PHE 41 N 1.60 3.73 0.18 4.23 0.08 -1.26 -4.96 117.98 121.58 2qxu s PHE 41 Ca -0.02 1.43 0.06 0.00 0.12 0.00 0.00 56.93 58.52 2qxu s PHE 41 Cb -0.18 -2.78 0.04 0.00 -0.57 0.00 0.00 43.02 39.52 2qxu s PHE 41 CO -0.09 0.29 1.41 0.11 -0.10 0.00 0.00 175.22 176.85 2qxu h TRP 42 N 5.62 0.14 -2.20 0.36 5.08 -1.98 -3.39 115.95 119.57 2qxu h TRP 42 Ca -0.44 -0.08 -0.58 0.00 1.08 0.00 0.00 58.89 58.87 2qxu h TRP 42 Cb 1.20 -0.01 -0.10 0.00 -3.00 0.00 0.00 29.16 27.25 2qxu h TRP 42 CO 0.65 0.89 1.01 0.34 -1.28 0.00 0.00 178.44 180.05 2qxu s ASP 43 N -6.85 6.25 0.00 0.11 2.15 -1.26 -4.85 116.67 112.22 2qxu s ASP 43 Ca -0.01 -0.84 0.24 0.00 0.43 0.00 0.00 52.55 52.36 2qxu s ASP 43 Cb 0.11 -2.52 1.37 0.00 -0.30 0.00 0.00 42.92 41.58 2qxu s ASP 43 CO 0.81 -1.65 1.78 0.29 -0.17 0.00 0.00 175.17 176.23 2qxu n LYS 44 N 8.76 0.67 0.00 4.34 4.76 -1.26 -2.23 118.16 133.20 2qxu n LYS 44 Ca 0.08 0.01 0.13 0.00 -2.87 0.00 0.00 58.31 55.66 2qxu n LYS 44 Cb 0.49 -1.50 0.33 0.00 -1.84 0.00 0.00 35.03 32.51 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 -1.05 0.00 -2.30 -0.18 -2.24 -1.26 -1.41 114.28 105.84 2qxu n THR 45 Ca 0.17 -0.04 -0.15 0.00 -2.27 0.00 0.00 64.05 61.75 2qxu n THR 45 Cb 0.10 0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 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 1.44 -0.26 3.77 3.38 0.00 -0.95 -4.84 105.19 107.73 2qxu n GLY 46 Ca 0.08 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.76 2.60 0.26 2.61 -4.23 -1.26 -4.86 115.64 108.00 2qxu s THR 47 Ca 0.00 0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 61.02 2qxu s THR 47 Cb -0.00 -3.32 0.12 0.00 1.34 0.00 0.00 72.50 70.65 2qxu s THR 47 CO 0.00 0.08 1.77 0.78 -0.54 0.00 0.00 174.62 176.71 2qxu h ASN 48 N 2.65 0.81 -0.64 3.99 2.35 -1.94 -0.97 115.58 121.83 2qxu h ASN 48 Ca -0.50 -0.18 0.13 0.00 -0.55 0.00 0.00 56.30 55.21 2qxu h ASN 48 Cb 1.25 -0.21 -0.12 0.00 0.05 0.00 0.00 38.32 39.28 2qxu h ASN 48 CO 0.62 0.84 -0.13 0.22 -1.65 0.00 0.00 177.43 177.34 2qxu h TYR 49 N 0.81 -0.29 0.10 1.19 3.20 -2.00 0.27 116.97 120.25 2qxu h TYR 49 Ca 0.16 0.06 -0.27 0.00 3.14 0.00 0.00 58.73 61.82 2qxu h TYR 49 Cb 0.40 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2qxu h TYR 49 CO 0.02 -0.26 -1.38 -0.91 -1.64 0.00 0.00 178.16 173.99 2qxu h ASN 50 N 0.02 0.34 0.69 -2.11 2.35 -1.91 -3.40 115.58 111.56 2qxu h ASN 50 Ca 0.32 -0.84 -0.16 0.00 -0.55 0.00 0.00 56.30 55.07 2qxu h ASN 50 Cb 0.49 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 2qxu h ASN 50 CO -0.65 1.60 -0.74 0.78 -1.65 0.00 0.00 177.43 176.78 2qxu h ASN 51 N -0.36 0.04 -0.11 5.81 4.21 -1.06 -3.24 115.58 120.87 2qxu h ASN 51 Ca -0.30 -0.03 0.04 0.00 1.21 0.00 0.00 56.30 57.22 2qxu h ASN 51 Cb 1.71 -0.01 -0.05 0.00 -1.12 0.00 0.00 38.32 38.85 2qxu h ASN 51 CO 0.04 0.76 -0.17 1.23 -1.29 0.00 0.00 177.43 178.00 2qxu h GLY 52 N 2.11 -0.13 1.15 2.83 0.00 -0.66 0.31 103.07 108.67 2qxu h GLY 52 Ca -0.01 0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.45 2qxu h GLY 52 CO 0.10 -0.16 0.07 -2.55 0.00 0.00 0.00 176.54 173.99 2qxu h PRO 53 N -0.23 1.03 -0.23 4.80 0.11 -1.77 -1.25 132.00 134.46 2qxu h PRO 53 Ca 0.09 -0.28 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2qxu h PRO 53 Cb 0.35 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 2qxu h PRO 53 CO -0.24 0.97 0.15 0.28 -0.21 0.00 0.00 178.00 178.95 2qxu h VAL 54 N 0.96 1.07 -0.88 3.15 2.07 -1.51 -1.28 116.25 119.84 2qxu h VAL 54 Ca 0.19 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2qxu h VAL 54 Cb 0.46 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2qxu h VAL 54 CO 0.02 0.07 0.55 0.25 0.02 0.00 0.00 177.57 178.48 2qxu h LEU 55 N 0.30 1.03 -0.04 2.57 5.85 -0.76 -0.47 115.31 123.79 2qxu h LEU 55 Ca 0.08 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2qxu h LEU 55 Cb -0.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 2qxu h LEU 55 CO -0.02 0.78 -0.08 -1.28 -0.34 0.00 0.00 178.44 177.50 2qxu h SER 56 N 1.20 -0.24 -0.41 1.25 0.87 -0.71 0.20 113.55 115.72 2qxu h SER 56 Ca 0.32 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.85 2qxu h SER 56 Cb -0.09 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 2qxu h SER 56 CO -0.06 -0.11 0.02 0.03 -0.53 0.00 0.00 176.83 176.17 2qxu h ARG 57 N -0.12 0.79 -0.38 2.24 3.08 -0.96 -1.87 114.38 117.16 2qxu h ARG 57 Ca 0.05 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 2qxu h ARG 57 Cb 0.18 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2qxu h ARG 57 CO -0.11 0.78 0.10 0.35 -1.07 0.00 0.00 179.97 180.02 2qxu h PHE 58 N 0.74 0.63 -0.33 3.04 3.57 -0.66 -1.39 116.94 122.54 2qxu h PHE 58 Ca 0.15 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 2qxu h PHE 58 Cb 0.42 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2qxu h PHE 58 CO 0.02 0.61 0.09 0.28 -2.23 0.00 0.00 178.31 177.09 2qxu h VAL 59 N 0.46 1.21 -0.61 1.41 2.07 -0.80 -1.60 116.25 118.40 2qxu h VAL 59 Ca 0.12 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.96 2qxu h VAL 59 Cb 0.30 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2qxu h VAL 59 CO 0.00 0.24 0.40 -0.61 0.02 0.00 0.00 177.57 177.62 2qxu h GLN 60 N 0.38 0.70 -0.30 1.57 5.75 -1.23 0.51 115.11 122.49 2qxu h GLN 60 Ca 0.10 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 2qxu h GLN 60 Cb 0.27 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 2qxu h GLN 60 CO -0.00 0.47 0.06 -0.22 -2.65 0.00 0.00 178.83 176.48 2qxu h LYS 61 N 0.73 0.49 -0.41 1.69 3.64 -0.87 -0.17 116.57 121.65 2qxu h LYS 61 Ca 0.24 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2qxu h LYS 61 Cb 0.07 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2qxu h LYS 61 CO -0.06 0.58 0.23 0.28 -2.27 0.00 0.00 179.45 178.21 2qxu h VAL 62 N 0.32 1.15 -0.55 2.00 2.07 -0.31 0.69 116.25 121.62 2qxu h VAL 62 Ca 0.09 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2qxu h VAL 62 Cb 0.32 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2qxu h VAL 62 CO 0.00 0.15 0.30 -0.07 0.02 0.00 0.00 177.57 177.98 2qxu h LEU 63 N 0.53 0.68 -0.33 2.57 3.38 -0.78 -1.41 115.31 119.97 2qxu h LEU 63 Ca 0.15 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2qxu h LEU 63 Cb 0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2qxu h LEU 63 CO -0.02 0.58 0.11 0.44 0.09 0.00 0.00 178.44 179.63 2qxu h ASP 64 N 0.74 0.47 0.50 -0.43 3.32 -0.71 0.13 116.42 120.45 2qxu h ASP 64 Ca 0.19 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2qxu h ASP 64 Cb 0.04 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2qxu h ASP 64 CO -0.03 0.55 -0.27 -0.33 -1.72 0.00 0.00 179.24 177.43 2qxu h GLU 65 N 0.38 0.00 0.00 3.56 5.08 -0.69 -3.28 114.58 119.62 2qxu h GLU 65 Ca 0.11 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 2qxu h GLU 65 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2qxu h GLU 65 CO -0.00 0.27 -1.89 0.25 -1.00 0.00 0.00 179.01 176.64 2qxu n THR 66 N -3.79 0.37 -0.92 1.13 -2.24 -0.54 -4.99 114.28 103.29 2qxu n THR 66 Ca -0.01 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2qxu n THR 66 Cb 0.37 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 1.69 0.64 3.80 3.38 0.00 0.46 -5.02 105.19 110.14 2qxu n GLY 67 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.45 2.64 -0.05 4.61 0.00 -1.20 -4.99 121.76 120.33 2qxu s ALA 68 Ca 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 2qxu s ALA 68 Cb 0.00 -3.22 -0.27 0.00 0.00 0.00 0.00 23.12 19.63 2qxu s ALA 68 CO 0.00 -1.12 0.65 -0.22 0.00 0.00 0.00 175.76 175.06 2qxu h LYS 69 N -0.27 0.24 -4.21 0.00 3.64 -1.95 -3.45 116.57 110.57 2qxu h LYS 69 Ca -0.45 -0.41 -0.13 0.00 -1.27 0.00 0.00 60.65 58.39 2qxu h LYS 69 Cb 1.22 0.15 -0.15 0.00 -0.41 0.00 0.00 32.23 33.04 2qxu h LYS 69 CO 0.56 1.08 -0.62 0.15 -2.27 0.00 0.00 179.45 178.35 2qxu s LYS 70 N -2.59 0.72 0.32 1.90 1.02 -1.26 -4.78 119.74 115.07 2qxu s LYS 70 Ca -0.14 -1.23 0.10 0.00 0.02 0.00 0.00 55.97 54.73 2qxu s LYS 70 Cb 0.07 0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.56 2qxu s LYS 70 CO 0.82 -0.17 -0.04 0.14 -0.92 0.00 0.00 175.35 175.19 2qxu s VAL 71 N -3.94 2.66 0.19 3.17 -7.23 -0.10 -4.30 120.40 110.85 2qxu s VAL 71 Ca 0.10 -2.06 0.07 0.00 -1.81 0.00 0.00 61.98 58.28 2qxu s VAL 71 Cb 0.07 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 2qxu s VAL 71 CO -0.08 -0.25 0.08 -1.81 -0.31 0.00 0.00 175.10 172.74 2qxu s ASP 72 N -3.66 5.15 -0.04 4.85 1.01 -0.56 -1.34 116.67 122.08 2qxu s ASP 72 Ca 0.33 -0.30 0.03 0.00 0.71 0.00 0.00 52.55 53.32 2qxu s ASP 72 Cb -0.01 -1.22 0.00 0.00 1.01 0.00 0.00 42.92 42.70 2qxu s ASP 72 CO 0.18 0.05 -0.13 -0.63 0.21 0.00 0.00 175.17 174.86 2qxu s ILE 73 N -1.87 1.09 -0.21 0.77 -1.09 0.12 -1.16 121.20 118.83 2qxu s ILE 73 Ca 0.30 -0.51 0.02 0.00 -2.23 0.00 0.00 60.65 58.22 2qxu s ILE 73 Cb -0.09 -0.96 0.04 0.00 -1.58 0.00 0.00 42.46 39.88 2qxu s ILE 73 CO 0.22 0.33 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.43 2qxu s VAL 74 N 0.22 1.96 0.06 2.92 1.01 -0.91 0.06 120.40 125.71 2qxu s VAL 74 Ca -0.05 -1.21 0.08 0.00 0.00 0.00 0.00 61.98 60.80 2qxu s VAL 74 Cb -0.11 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 2qxu s VAL 74 CO 0.02 0.22 -0.22 0.00 0.00 0.00 0.00 175.10 175.11 2qxu s ALA 75 N 1.26 1.92 -0.05 5.51 0.00 0.16 -1.08 121.76 129.49 2qxu s ALA 75 Ca -0.02 -1.17 0.06 0.00 0.00 0.00 0.00 51.96 50.83 2qxu s ALA 75 Cb -0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 2qxu s ALA 75 CO -0.09 0.43 -0.21 -1.58 0.00 0.00 0.00 175.76 174.31 2qxu s HIS 76 N -0.88 2.50 0.00 0.00 2.46 -0.40 0.40 115.29 119.37 2qxu s HIS 76 Ca 0.09 -0.46 0.00 0.00 0.47 0.00 0.00 55.06 55.16 2qxu s HIS 76 Cb -0.09 -1.59 0.00 0.00 -0.13 0.00 0.00 32.58 30.76 2qxu s HIS 76 CO 0.03 -0.04 0.00 0.43 -2.47 0.00 0.00 174.74 172.69 2qxu n SER 77 N 2.63 0.00 0.33 9.88 7.64 -0.70 -0.25 113.62 133.16 2qxu n SER 77 Ca -0.17 0.00 0.21 0.00 1.01 0.00 0.00 58.87 59.92 2qxu n SER 77 Cb 0.52 0.00 1.15 0.00 -1.01 0.00 0.00 64.21 64.87 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 -0.02 1.43 1.85 -1.86 0.07 114.93 116.39 2qxu h MET 78 Ca 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.10 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 0.02 0.78 -0.40 0.00 0.00 176.91 177.31 2qxu h GLY 79 N 0.00 0.00 1.09 1.39 0.00 -0.63 -0.81 103.07 104.12 2qxu h GLY 79 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2qxu h GLY 79 CO -0.00 0.00 -0.40 -1.33 0.00 0.00 0.00 176.54 174.81 2qxu h GLY 80 N 0.00 0.95 1.00 4.60 0.00 -1.16 -1.26 103.07 107.20 2qxu h GLY 80 Ca 0.01 -1.01 -0.05 0.00 0.00 0.00 0.00 47.33 46.29 2qxu h GLY 80 CO -0.00 0.91 0.16 0.00 0.00 0.00 0.00 176.54 177.61 2qxu h ALA 81 N 0.73 0.74 -0.81 3.60 0.00 -1.31 -1.24 119.26 120.97 2qxu h ALA 81 Ca 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2qxu h ALA 81 Cb 0.99 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2qxu h ALA 81 CO 0.10 0.42 0.48 -0.91 0.00 0.00 0.00 179.25 179.33 2qxu h ASN 82 N 0.80 0.99 -0.26 0.00 2.35 -1.13 -0.90 115.58 117.42 2qxu h ASN 82 Ca 0.18 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2qxu h ASN 82 Cb 0.31 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2qxu h ASN 82 CO -0.00 0.77 0.08 0.74 -1.65 0.00 0.00 177.43 177.37 2qxu h THR 83 N 1.12 1.20 0.00 2.81 2.02 -0.91 -1.60 112.91 117.54 2qxu h THR 83 Ca 0.29 -0.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 2qxu h THR 83 Cb -0.02 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2qxu h THR 83 CO -0.05 0.21 -0.25 -0.07 0.37 0.00 0.00 175.52 175.72 2qxu h LEU 84 N 0.26 0.00 -0.33 2.58 3.38 -0.97 -1.95 115.31 118.29 2qxu h LEU 84 Ca 0.08 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 2qxu h LEU 84 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2qxu h LEU 84 CO -0.00 0.25 -0.44 0.22 0.09 0.00 0.00 178.44 178.56 2qxu h TYR 85 N 0.00 1.07 -0.46 1.13 3.20 -0.82 -0.77 116.97 120.32 2qxu h TYR 85 Ca -0.00 -0.35 -0.00 0.00 3.14 0.00 0.00 58.73 61.51 2qxu h TYR 85 Cb 0.46 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 2qxu h TYR 85 CO 0.00 1.17 0.28 -0.92 -1.64 0.00 0.00 178.16 177.05 2qxu h TYR 86 N 0.67 0.61 -0.36 -3.82 3.20 -0.86 0.05 116.97 116.45 2qxu h TYR 86 Ca 0.04 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.77 2qxu h TYR 86 Cb 1.05 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 2qxu h TYR 86 CO 0.07 0.42 -0.33 0.82 -1.64 0.00 0.00 178.16 177.50 2qxu h ILE 87 N 0.62 1.28 -0.00 1.81 2.04 -1.30 -2.22 117.51 119.74 2qxu h ILE 87 Ca 0.17 -1.50 -0.03 0.00 1.00 0.00 0.00 64.86 64.50 2qxu h ILE 87 Cb -0.01 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2qxu h ILE 87 CO -0.03 0.49 -0.13 0.50 0.00 0.00 0.00 178.15 178.98 2qxu h LYS 88 N 0.65 0.09 0.00 2.37 3.64 -1.01 -3.26 116.57 119.05 2qxu h LYS 88 Ca 0.06 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2qxu h LYS 88 Cb 0.91 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2qxu h LYS 88 CO 0.08 0.86 -1.33 0.09 -2.27 0.00 0.00 179.45 176.88 2qxu n ASN 89 N -4.60 1.67 0.00 4.20 5.03 -0.01 -5.02 115.26 116.53 2qxu n ASN 89 Ca -0.10 -0.21 0.00 0.00 0.87 0.00 0.00 54.58 55.15 2qxu n ASN 89 Cb 0.45 1.43 0.00 0.00 -1.02 0.00 0.00 39.78 40.64 2qxu n ASN 89 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2qxu n LEU 90 N -1.78 0.00 -0.71 3.41 4.77 -0.91 -5.03 117.00 116.75 2qxu n LEU 90 Ca -0.01 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.06 2qxu n LEU 90 Cb 0.30 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.62 2qxu n LEU 90 CO 0.27 0.00 0.68 -0.90 -1.33 0.00 0.00 177.39 176.10 2qxu n ASP 91 N 0.00 3.52 -0.00 -1.43 5.75 -1.20 -4.66 116.55 118.53 2qxu n ASP 91 Ca 0.00 -2.97 0.14 0.00 -0.01 0.00 0.00 54.79 51.95 2qxu n ASP 91 Cb 0.00 -0.50 0.64 0.00 -1.03 0.00 0.00 41.12 40.23 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 -0.64 -1.45 0.45 6.12 0.00 -0.88 -4.19 105.19 104.59 2qxu n GLY 92 Ca 0.20 -0.11 0.26 0.00 0.00 0.00 0.00 46.02 46.37 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 5.00 0.00 -0.07 -0.02 0.00 -1.77 -2.24 103.07 103.97 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 -0.04 1.16 0.00 0.00 0.00 176.54 177.66 2qxu n ASN 94 N -4.18 1.85 -0.12 0.19 6.94 -1.26 -0.46 115.26 118.22 2qxu n ASN 94 Ca 0.16 -2.37 0.01 0.00 -0.02 0.00 0.00 54.58 52.36 2qxu n ASN 94 Cb 0.88 -0.19 0.02 0.00 -2.36 0.00 0.00 39.78 38.13 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 -0.81 0.14 -5.16 -3.83 5.02 -0.85 -4.86 118.16 107.80 2qxu n LYS 95 Ca 0.07 -0.87 -0.31 0.00 -2.02 0.00 0.00 58.31 55.18 2qxu n LYS 95 Cb 0.46 -1.06 -0.17 0.00 -0.02 0.00 0.00 35.03 34.25 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 -0.39 1.93 -0.03 -0.18 1.01 -1.18 -0.93 120.40 120.63 2qxu s VAL 96 Ca 0.04 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 2qxu s VAL 96 Cb 0.02 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 2qxu s VAL 96 CO 0.04 0.54 -0.07 0.00 0.00 0.00 0.00 175.10 175.60 2qxu n ALA 97 N 3.20 0.67 -2.83 5.51 0.00 -0.45 -4.73 120.51 121.88 2qxu n ALA 97 Ca -0.18 -0.32 -0.33 0.00 0.00 0.00 0.00 53.44 52.60 2qxu n ALA 97 Cb 0.52 0.02 -0.13 0.00 0.00 0.00 0.00 19.45 19.86 2qxu n ALA 97 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qxu s ASN 98 N -4.58 4.35 -0.06 0.00 0.01 -1.26 -1.60 114.94 111.81 2qxu s ASN 98 Ca -0.06 -0.18 0.04 0.00 -0.71 0.00 0.00 52.86 51.95 2qxu s ASN 98 Cb 0.01 -1.42 -0.00 0.00 0.41 0.00 0.00 41.25 40.25 2qxu s ASN 98 CO 0.08 0.24 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.03 2qxu s VAL 99 N -0.11 1.66 -0.09 1.60 1.01 -0.08 0.12 120.40 124.51 2qxu s VAL 99 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2qxu s VAL 99 Cb -0.13 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.84 2qxu s VAL 99 CO 0.03 0.47 -0.07 -0.69 0.00 0.00 0.00 175.10 174.84 2qxu s VAL 100 N 0.14 0.89 0.05 2.92 1.01 0.11 -1.68 120.40 123.84 2qxu s VAL 100 Ca -0.08 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.70 2qxu s VAL 100 Cb -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2qxu s VAL 100 CO 0.04 0.33 -0.08 0.42 0.00 0.00 0.00 175.10 175.81 2qxu s THR 101 N 1.41 3.55 -0.26 3.92 -4.23 -0.64 -0.66 115.64 118.73 2qxu s THR 101 Ca -0.01 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.52 2qxu s THR 101 Cb -0.13 -2.60 0.06 0.00 1.34 0.00 0.00 72.50 71.16 2qxu s THR 101 CO -0.04 0.26 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.44 2qxu s LEU 102 N -1.81 3.47 -1.44 4.79 1.43 0.16 -1.03 118.68 124.24 2qxu s LEU 102 Ca 0.20 -1.35 -0.08 0.00 -1.03 0.00 0.00 54.13 51.87 2qxu s LEU 102 Cb -0.11 -1.57 0.04 0.00 0.03 0.00 0.00 46.19 44.57 2qxu s LEU 102 CO 0.11 -0.19 0.64 0.61 0.23 0.00 0.00 176.35 177.75 2qxu n GLY 103 N 4.47 -0.51 3.74 -3.19 0.00 0.87 -1.71 105.19 108.86 2qxu n GLY 103 Ca -0.14 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.81 2.11 -0.52 -0.02 0.00 -1.26 -3.31 107.32 101.51 2qxu s GLY 104 Ca 0.40 1.39 -0.04 0.00 0.00 0.00 0.00 44.72 46.46 2qxu s GLY 104 CO 0.49 2.41 2.82 0.00 0.00 0.00 0.00 173.10 178.82 2qxu n ALA 105 N 2.64 6.51 -0.36 3.20 0.00 -0.41 -2.94 120.51 129.15 2qxu n ALA 105 Ca 0.09 -3.05 0.05 0.00 0.00 0.00 0.00 53.44 50.52 2qxu n ALA 105 Cb 0.39 -2.25 0.21 0.00 0.00 0.00 0.00 19.45 17.79 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 3.21 0.97 0.22 0.00 2.35 -1.62 -2.53 115.58 118.19 2qxu h ASN 106 Ca 0.41 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 2qxu h ASN 106 Cb 0.75 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.95 2qxu h ASN 106 CO 0.89 0.57 0.00 0.54 -1.65 0.00 0.00 177.43 177.78 2qxu n ARG 107 N -4.57 0.24 0.02 0.81 1.74 -0.30 -1.52 116.66 113.09 2qxu n ARG 107 Ca 0.17 0.13 0.09 0.00 -0.77 0.00 0.00 57.85 57.47 2qxu n ARG 107 Cb 0.27 -1.50 0.37 0.00 -1.02 0.00 0.00 32.46 30.58 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 -1.24 0.12 0.00 0.55 4.77 -0.95 -3.75 117.00 116.50 2qxu n LEU 108 Ca 0.07 0.53 -0.03 0.00 -0.03 0.00 0.00 56.01 56.55 2qxu n LEU 108 Cb 0.10 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 2qxu n LEU 108 CO 0.10 -0.27 -0.40 0.41 -1.33 0.00 0.00 177.39 175.90 2qxu n THR 109 N -1.63 0.66 -3.50 -5.08 -1.04 -0.57 -5.08 114.28 98.03 2qxu n THR 109 Ca 0.04 0.13 -0.11 0.00 -2.04 0.00 0.00 64.05 62.06 2qxu n THR 109 Cb 0.20 -1.61 -0.02 0.00 -1.82 0.00 0.00 70.33 67.08 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 -2.09 0.01 -2.12 12.58 -1.32 -0.91 -5.02 115.64 116.76 2qxu s THR 110 Ca -0.05 -0.20 0.18 0.00 -1.21 0.00 0.00 61.69 60.41 2qxu s THR 110 Cb 0.01 -1.16 0.21 0.00 -1.51 0.00 0.00 72.50 70.05 2qxu s THR 110 CO 0.06 -0.03 1.13 0.61 -2.21 0.00 0.00 174.62 174.19 2qxu n GLY 111 N -0.38 0.79 3.70 6.08 0.00 -1.26 -3.25 105.19 110.88 2qxu n GLY 111 Ca -0.15 -0.54 -0.32 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 -1.41 2.77 -1.14 1.61 1.02 -1.26 -0.11 119.74 121.21 2qxu s LYS 112 Ca 0.24 -0.66 -0.18 0.00 0.02 0.00 0.00 55.97 55.39 2qxu s LYS 112 Cb 0.16 -2.67 0.10 0.00 -0.52 0.00 0.00 37.83 34.90 2qxu s LYS 112 CO 0.23 0.60 1.49 0.00 -0.92 0.00 0.00 175.35 176.75 2qxu s ALA 113 N -1.18 3.33 -0.08 5.17 0.00 -0.30 -4.79 121.76 123.91 2qxu s ALA 113 Ca 0.22 -2.83 -0.37 0.00 0.00 0.00 0.00 51.96 48.98 2qxu s ALA 113 Cb -0.12 -4.39 -0.15 0.00 0.00 0.00 0.00 23.12 18.46 2qxu s ALA 113 CO 0.14 -3.20 1.65 1.28 0.00 0.00 0.00 175.76 175.63 2qxu n LEU 114 N 7.55 2.56 0.25 0.00 4.77 -1.26 -4.80 117.00 126.07 2qxu n LEU 114 Ca 0.38 1.06 0.13 0.00 -0.03 0.00 0.00 56.01 57.55 2qxu n LEU 114 Cb 0.47 -1.25 0.59 0.00 -2.33 0.00 0.00 43.42 40.91 2qxu n LEU 114 CO 0.66 -0.47 0.90 1.55 -1.33 0.00 0.00 177.39 178.70 2qxu h PRO 115 N 6.85 0.00 0.00 3.23 0.13 -1.93 -3.40 132.00 136.88 2qxu h PRO 115 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2qxu h PRO 115 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2qxu h PRO 115 CO 0.90 0.13 0.00 0.41 -0.23 0.00 0.00 178.00 179.21 2qxu n GLY 116 N -0.04 -1.75 0.00 1.56 0.00 -1.26 -0.51 105.19 103.19 2qxu n GLY 116 Ca -0.00 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 0.77 -2.77 2.61 -2.24 0.39 -4.96 114.28 108.08 2qxu n THR 117 Ca 0.00 -0.85 -0.43 0.00 -2.27 0.00 0.00 64.05 60.50 2qxu n THR 117 Cb 0.00 0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.77 6.47 0.58 3.42 -1.08 -1.26 -4.89 116.67 119.14 2qxu s ASP 118 Ca 0.00 0.04 0.39 0.00 -0.52 0.00 0.00 52.55 52.46 2qxu s ASP 118 Cb 0.00 -2.47 2.12 0.00 -1.46 0.00 0.00 42.92 41.11 2qxu s ASP 118 CO 0.00 -1.16 2.19 1.55 0.52 0.00 0.00 175.17 178.27 2qxu h PRO 119 N 9.21 0.00 -0.00 4.34 0.13 -1.97 -2.33 132.00 141.38 2qxu h PRO 119 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2qxu h PRO 119 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2qxu h PRO 119 CO 1.07 0.00 -0.81 0.09 -0.23 0.00 0.00 178.00 178.12 2qxu n ASN 120 N -2.87 1.05 -3.44 1.44 3.02 -1.26 -4.90 115.26 108.31 2qxu n ASN 120 Ca -0.03 -0.93 -0.01 0.00 -0.03 0.00 0.00 54.58 53.59 2qxu n ASN 120 Cb 0.06 0.76 -0.04 0.00 -0.61 0.00 0.00 39.78 39.95 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 -2.91 0.52 0.49 3.52 2.00 -0.87 -5.15 119.66 117.26 2qxu s GLN 121 Ca 0.11 1.15 -0.21 0.00 -2.00 0.00 0.00 55.36 54.41 2qxu s GLN 121 Cb 0.17 0.56 -0.07 0.00 0.80 0.00 0.00 33.01 34.47 2qxu s GLN 121 CO 0.78 -0.41 1.12 0.15 -0.50 0.00 0.00 175.29 176.44 2qxu s LYS 122 N 2.82 3.66 0.14 1.67 1.02 -1.26 -4.44 119.74 123.35 2qxu s LYS 122 Ca 0.06 1.61 -0.31 0.00 0.02 0.00 0.00 55.97 57.36 2qxu s LYS 122 Cb -0.13 -2.22 -0.08 0.00 -0.52 0.00 0.00 37.83 34.87 2qxu s LYS 122 CO -0.19 -0.59 1.39 0.42 -0.92 0.00 0.00 175.35 175.46 2qxu s ILE 123 N -1.72 3.20 -0.08 2.17 1.01 0.34 -4.99 121.20 121.13 2qxu s ILE 123 Ca 0.67 0.90 -0.10 0.00 0.00 0.00 0.00 60.65 62.11 2qxu s ILE 123 Cb -0.24 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 2qxu s ILE 123 CO 0.28 0.09 0.24 -0.76 0.00 0.00 0.00 174.94 174.79 2qxu s LEU 124 N 0.76 4.41 0.07 2.97 1.43 -0.62 -4.60 118.68 123.09 2qxu s LEU 124 Ca 0.63 0.63 0.08 0.00 -1.03 0.00 0.00 54.13 54.44 2qxu s LEU 124 Cb -0.37 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 2qxu s LEU 124 CO 0.33 0.36 -0.22 -0.31 0.23 0.00 0.00 176.35 176.73 2qxu s TYR 125 N -0.92 1.92 -0.23 0.29 1.51 -0.49 -0.90 117.35 118.53 2qxu s TYR 125 Ca 0.18 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.81 2qxu s TYR 125 Cb -0.14 -1.11 0.08 0.00 -0.11 0.00 0.00 41.96 40.68 2qxu s TYR 125 CO 0.07 0.15 0.08 0.99 -1.11 0.00 0.00 175.55 175.73 2qxu s THR 126 N -0.92 0.31 -0.41 -0.71 2.01 -0.68 -1.44 115.64 113.81 2qxu s THR 126 Ca 0.08 -0.66 -0.15 0.00 0.31 0.00 0.00 61.69 61.28 2qxu s THR 126 Cb -0.09 -1.03 0.02 0.00 0.01 0.00 0.00 72.50 71.41 2qxu s THR 126 CO 0.03 -0.43 0.29 -0.55 -0.69 0.00 0.00 174.62 173.27 2qxu s SER 127 N 1.94 6.09 -0.21 3.53 0.15 0.75 -1.62 113.70 124.32 2qxu s SER 127 Ca 0.04 -0.89 -0.09 0.00 0.70 0.00 0.00 55.95 55.71 2qxu s SER 127 Cb -0.17 -2.15 -0.05 0.00 -1.71 0.00 0.00 66.02 61.95 2qxu s SER 127 CO -0.18 -0.44 0.12 -0.63 1.20 0.00 0.00 173.24 173.31 2qxu s ILE 128 N 1.67 5.20 0.07 6.45 -1.09 -0.20 -0.49 121.20 132.81 2qxu s ILE 128 Ca 0.05 0.12 -0.09 0.00 -2.23 0.00 0.00 60.65 58.49 2qxu s ILE 128 Cb -0.19 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 2qxu s ILE 128 CO 0.10 0.41 0.20 -0.72 -1.23 0.00 0.00 174.94 173.70 2qxu s TYR 129 N 0.61 0.10 -0.06 3.97 -0.85 -0.70 -0.09 117.35 120.34 2qxu s TYR 129 Ca 0.07 -0.45 0.04 0.00 -0.52 0.00 0.00 57.07 56.21 2qxu s TYR 129 Cb -0.12 -0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.16 2qxu s TYR 129 CO 0.01 -0.51 -0.17 0.45 -1.52 0.00 0.00 175.55 173.81 2qxu s SER 130 N -2.57 3.76 0.33 -0.18 0.15 -1.26 -0.72 113.70 113.22 2qxu s SER 130 Ca 0.01 -0.29 0.24 0.00 0.70 0.00 0.00 55.95 56.62 2qxu s SER 130 Cb 0.03 -0.85 1.17 0.00 -1.71 0.00 0.00 66.02 64.66 2qxu s SER 130 CO -0.08 0.31 1.74 0.77 1.20 0.00 0.00 173.24 177.18 2qxu h SER 131 N 5.61 0.00 -0.13 5.45 4.64 -1.57 -1.09 113.55 126.45 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 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2qxu h SER 131 CO 0.50 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.46 2qxu n ALA 132 N -1.81 2.48 -2.05 5.18 0.00 -1.26 -4.91 120.51 118.13 2qxu n ALA 132 Ca 0.00 -0.70 -0.43 0.00 0.00 0.00 0.00 53.44 52.31 2qxu n ALA 132 Cb 0.13 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.82 6.48 0.00 0.00 -1.08 -0.42 -4.69 116.67 115.14 2qxu s ASP 133 Ca 0.33 1.90 0.25 0.00 -0.52 0.00 0.00 52.55 54.51 2qxu s ASP 133 Cb 0.21 -2.53 0.41 0.00 -1.46 0.00 0.00 42.92 39.54 2qxu s ASP 133 CO 0.31 -1.13 1.38 0.23 0.52 0.00 0.00 175.17 176.48 2qxu n MET 134 N 7.45 2.19 -0.10 4.34 2.81 -1.26 -4.50 117.12 128.05 2qxu n MET 134 Ca 0.18 -1.74 -0.19 0.00 -1.81 0.00 0.00 57.70 54.15 2qxu n MET 134 Cb 0.44 -1.47 -0.06 0.00 -0.71 0.00 0.00 33.22 31.42 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 1.09 1.30 -3.83 2.02 2.08 -1.26 -4.93 119.36 115.82 2qxu n ILE 135 Ca 0.16 -0.16 -0.36 0.00 0.56 0.00 0.00 62.75 62.95 2qxu n ILE 135 Cb 0.54 -1.93 -0.13 0.00 -0.75 0.00 0.00 39.64 37.37 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 -2.51 3.55 0.41 1.39 1.01 -1.26 -5.09 120.40 117.90 2qxu s VAL 136 Ca -0.29 -0.88 -0.27 0.00 0.00 0.00 0.00 61.98 60.54 2qxu s VAL 136 Cb 0.09 -2.85 -0.10 0.00 0.00 0.00 0.00 36.38 33.53 2qxu s VAL 136 CO 0.38 0.08 1.44 -0.04 0.00 0.00 0.00 175.10 176.96 2qxu s MET 137 N 1.42 3.91 0.55 2.72 -1.94 -1.26 -4.82 119.30 119.88 2qxu s MET 137 Ca 0.01 2.46 0.22 0.00 -1.71 0.00 0.00 55.69 56.67 2qxu s MET 137 Cb -0.17 -2.81 1.46 0.00 2.01 0.00 0.00 34.83 35.31 2qxu s MET 137 CO 0.00 -0.65 2.14 -0.91 -0.01 0.00 0.00 175.02 175.59 2qxu h ASN 138 N 2.68 0.00 0.32 3.03 2.35 -1.88 -1.54 115.58 120.54 2qxu h ASN 138 Ca -0.51 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.22 2qxu h ASN 138 Cb 1.25 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.62 2qxu h ASN 138 CO 0.63 0.00 -0.13 0.10 -1.65 0.00 0.00 177.43 176.38 2qxu h TYR 139 N 0.00 0.00 0.00 1.19 -0.00 -1.95 -0.93 116.97 115.28 2qxu h TYR 139 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.75 2qxu h TYR 139 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.95 2qxu h TYR 139 CO 0.00 0.13 -0.15 -0.07 -0.00 0.00 0.00 178.16 178.07 2qxu h LEU 140 N 0.00 0.00 0.04 0.10 3.38 -1.58 -3.32 115.31 113.93 2qxu h LEU 140 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2qxu h LEU 140 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2qxu h LEU 140 CO 0.02 0.15 -1.57 0.28 0.09 0.00 0.00 178.44 177.41 2qxu h SER 141 N 0.00 0.14 -3.13 -0.43 0.02 -1.07 -0.60 113.55 108.47 2qxu h SER 141 Ca -0.00 -0.23 -0.53 0.00 -0.84 0.00 0.00 61.79 60.19 2qxu h SER 141 Cb 1.04 -0.04 0.03 0.00 0.14 0.00 0.00 62.40 63.57 2qxu h SER 141 CO 0.02 1.20 0.73 -0.13 -1.14 0.00 0.00 176.83 177.52 2qxu s ARG 142 N -2.62 4.31 -0.07 3.45 1.81 -0.91 -4.79 118.95 120.14 2qxu s ARG 142 Ca -0.07 2.15 0.05 0.00 -1.72 0.00 0.00 55.73 56.14 2qxu s ARG 142 Cb 0.08 -3.20 -0.01 0.00 -0.45 0.00 0.00 34.95 31.37 2qxu s ARG 142 CO 0.82 -0.41 -0.23 -0.51 -0.68 0.00 0.00 175.30 174.30 2qxu s LEU 143 N 0.56 2.21 -0.00 2.53 1.43 -1.26 -4.86 118.68 119.29 2qxu s LEU 143 Ca 0.62 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.96 2qxu s LEU 143 Cb -0.39 -1.42 -0.06 0.00 0.03 0.00 0.00 46.19 44.35 2qxu s LEU 143 CO 0.34 0.24 1.60 -1.81 0.23 0.00 0.00 176.35 176.96 2qxu s ASP 144 N -0.15 6.69 0.00 2.29 1.01 0.84 -2.21 116.67 125.13 2qxu s ASP 144 Ca -0.03 2.29 0.00 0.00 0.71 0.00 0.00 52.55 55.51 2qxu s ASP 144 Cb -0.14 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.24 2qxu s ASP 144 CO 0.04 -0.87 0.00 0.61 0.21 0.00 0.00 175.17 175.16 2qxu n GLY 145 N 3.98 1.01 3.96 0.21 0.00 -1.26 -1.15 105.19 111.94 2qxu n GLY 145 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 2qxu n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxu s ALA 146 N -2.26 3.80 -0.55 4.61 0.00 -0.94 -1.49 121.76 124.93 2qxu s ALA 146 Ca 0.00 -1.22 -0.24 0.00 0.00 0.00 0.00 51.96 50.50 2qxu s ALA 146 Cb 0.00 -2.14 0.04 0.00 0.00 0.00 0.00 23.12 21.03 2qxu s ALA 146 CO 0.00 -0.70 0.92 0.50 0.00 0.00 0.00 175.76 176.47 2qxu s ARG 147 N -4.75 3.31 -0.25 0.00 3.52 -0.76 -4.91 118.95 115.11 2qxu s ARG 147 Ca 0.55 -0.32 -0.13 0.00 -0.13 0.00 0.00 55.73 55.71 2qxu s ARG 147 Cb -0.10 -4.06 -0.05 0.00 -1.56 0.00 0.00 34.95 29.18 2qxu s ARG 147 CO 0.39 -1.47 0.26 -0.80 -0.81 0.00 0.00 175.30 172.87 2qxu s ASN 148 N 2.84 6.18 -0.19 -2.12 0.01 -1.26 -0.18 114.94 120.21 2qxu s ASN 148 Ca 0.29 0.19 0.01 0.00 -0.71 0.00 0.00 52.86 52.64 2qxu s ASN 148 Cb -0.13 -2.16 0.04 0.00 0.41 0.00 0.00 41.25 39.41 2qxu s ASN 148 CO 0.18 -0.05 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.91 2qxu s VAL 149 N 1.52 1.80 -0.13 1.60 1.01 0.36 -4.96 120.40 121.60 2qxu s VAL 149 Ca 0.11 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 2qxu s VAL 149 Cb -0.15 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2qxu s VAL 149 CO 0.08 0.28 0.21 -1.58 0.00 0.00 0.00 175.10 174.09 2qxu s GLN 150 N 1.34 3.85 0.44 2.72 0.74 -1.26 -1.72 119.66 125.77 2qxu s GLN 150 Ca 0.00 -0.02 0.04 0.00 0.05 0.00 0.00 55.36 55.43 2qxu s GLN 150 Cb -0.15 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 30.61 2qxu s GLN 150 CO -0.09 0.54 0.03 0.96 -0.55 0.00 0.00 175.29 176.18 2qxu s ILE 151 N -0.41 1.40 0.26 -2.34 -4.36 0.11 -4.97 121.20 110.89 2qxu s ILE 151 Ca 0.15 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.60 2qxu s ILE 151 Cb -0.13 -2.57 -0.06 0.00 1.25 0.00 0.00 42.46 40.96 2qxu s ILE 151 CO 0.04 0.00 -0.04 -1.00 0.24 0.00 0.00 174.94 174.18 2qxu s HIS 152 N -2.91 1.80 0.00 1.37 3.76 -1.26 -1.49 115.29 116.56 2qxu s HIS 152 Ca 0.22 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 2qxu s HIS 152 Cb 0.06 -1.03 0.00 0.00 1.11 0.00 0.00 32.58 32.71 2qxu s HIS 152 CO 0.11 0.17 0.00 0.41 -0.85 0.00 0.00 174.74 174.58 2qxu n GLY 153 N -0.52 1.16 3.74 -2.22 0.00 -1.26 -4.93 105.19 101.16 2qxu n GLY 153 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2qxu n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qxu s VAL 154 N 0.00 2.24 0.81 1.61 1.01 -1.26 -4.82 120.40 119.98 2qxu s VAL 154 Ca 0.00 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 2qxu s VAL 154 Cb 0.00 -3.13 0.08 0.00 0.00 0.00 0.00 36.38 33.34 2qxu s VAL 154 CO 0.00 0.03 1.17 -0.83 0.00 0.00 0.00 175.10 175.47 2qxu s GLY 155 N 0.64 1.61 0.17 4.51 0.00 -1.26 -4.06 107.32 108.94 2qxu s GLY 155 Ca 0.65 -0.72 -0.15 0.00 0.00 0.00 0.00 44.72 44.51 2qxu s GLY 155 CO 0.43 -0.22 1.73 0.84 0.00 0.00 0.00 173.10 175.87 2qxu h HIS 156 N -1.04 0.15 0.00 1.90 2.76 -1.95 -1.64 115.15 115.35 2qxu h HIS 156 Ca -0.46 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 57.57 2qxu h HIS 156 Cb 1.32 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.25 2qxu h HIS 156 CO 0.23 0.02 -0.81 0.82 -1.30 0.00 0.00 177.93 176.90 2qxu h ILE 157 N 0.23 1.39 0.00 6.26 5.03 -2.01 -3.21 117.51 125.20 2qxu h ILE 157 Ca 0.20 -2.95 0.00 0.00 -0.12 0.00 0.00 64.86 61.99 2qxu h ILE 157 Cb 0.24 2.68 0.00 0.00 -3.03 0.00 0.00 36.82 36.71 2qxu h ILE 157 CO -0.26 0.79 0.00 1.23 -0.68 0.00 0.00 178.15 179.23 2qxu h GLY 158 N 3.16 0.00 2.00 5.37 0.00 -1.68 -1.60 103.07 110.33 2qxu h GLY 158 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2qxu h GLY 158 CO 0.10 0.00 -0.03 1.41 0.00 0.00 0.00 176.54 178.03 2qxu h LEU 159 N 0.00 0.00 0.00 3.11 3.38 -1.42 -1.16 115.31 119.22 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 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2qxu h LEU 159 CO 0.00 0.03 -0.30 0.18 0.09 0.00 0.00 178.44 178.44 2qxu n LEU 160 N -3.46 0.35 -2.63 1.67 4.77 -0.60 -4.14 117.00 112.96 2qxu n LEU 160 Ca -0.02 0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 56.08 2qxu n LEU 160 Cb 0.13 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 2qxu n LEU 160 CO 0.25 0.05 -0.02 -1.22 -1.33 0.00 0.00 177.39 175.12 2qxu n TYR 161 N -1.59 1.65 -4.77 -1.77 4.01 -0.45 -4.19 117.16 110.05 2qxu n TYR 161 Ca 0.06 -2.64 -0.31 0.00 -0.16 0.00 0.00 57.90 54.85 2qxu n TYR 161 Cb 0.35 -0.29 -0.17 0.00 -0.31 0.00 0.00 39.34 38.92 2qxu n TYR 161 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2qxu s SER 162 N -3.39 2.92 0.26 7.72 0.15 -1.13 -5.01 113.70 115.22 2qxu s SER 162 Ca 0.32 -0.55 -0.04 0.00 0.70 0.00 0.00 55.95 56.38 2qxu s SER 162 Cb 0.41 -1.34 0.32 0.00 -1.71 0.00 0.00 66.02 63.70 2qxu s SER 162 CO -0.02 0.09 1.88 0.28 1.20 0.00 0.00 173.24 176.67 2qxu h SER 163 N 7.17 1.00 -0.23 5.45 0.02 -1.95 0.30 113.55 125.30 2qxu h SER 163 Ca -0.29 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 2qxu h SER 163 Cb 1.20 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 2qxu h SER 163 CO 0.52 0.82 0.10 -0.61 -1.14 0.00 0.00 176.83 176.52 2qxu h GLN 164 N 1.11 0.34 -0.53 3.45 4.15 -1.99 -1.65 115.11 119.99 2qxu h GLN 164 Ca 0.28 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.63 2qxu h GLN 164 Cb 0.06 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 2qxu h GLN 164 CO -0.04 0.37 0.27 0.28 -1.93 0.00 0.00 178.83 177.78 2qxu h VAL 165 N 0.23 1.19 -0.47 2.39 2.07 -1.76 -2.79 116.25 117.12 2qxu h VAL 165 Ca 0.08 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 67.15 2qxu h VAL 165 Cb 0.15 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 2qxu h VAL 165 CO -0.01 0.21 0.12 0.78 0.02 0.00 0.00 177.57 178.70 2qxu h ASN 166 N 0.71 0.07 -0.68 0.57 2.35 -0.07 0.09 115.58 118.62 2qxu h ASN 166 Ca 0.18 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 56.02 2qxu h ASN 166 Cb 0.09 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 2qxu h ASN 166 CO -0.03 0.07 0.45 0.28 -1.65 0.00 0.00 177.43 176.55 2qxu h SER 167 N 0.27 0.77 0.20 5.81 0.02 -1.14 -1.31 113.55 118.17 2qxu h SER 167 Ca 0.23 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.99 2qxu h SER 167 Cb 0.27 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2qxu h SER 167 CO -0.27 0.56 -0.63 -0.07 -1.14 0.00 0.00 176.83 175.27 2qxu h LEU 168 N 0.91 0.48 -0.52 5.07 3.38 -1.03 -2.52 115.31 121.07 2qxu h LEU 168 Ca 0.25 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2qxu h LEU 168 Cb -0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2qxu h LEU 168 CO -0.06 0.99 0.28 0.40 0.09 0.00 0.00 178.44 180.14 2qxu h ILE 169 N 0.30 1.18 -0.34 1.22 2.04 -0.09 -0.41 117.51 121.42 2qxu h ILE 169 Ca -0.01 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.41 2qxu h ILE 169 Cb 1.18 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 2qxu h ILE 169 CO 0.11 0.20 0.07 0.50 0.00 0.00 0.00 178.15 179.03 2qxu h LYS 170 N 0.70 0.19 -0.59 2.37 3.64 -1.14 0.39 116.57 122.13 2qxu h LYS 170 Ca 0.18 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2qxu h LYS 170 Cb 0.07 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2qxu h LYS 170 CO -0.03 0.13 0.38 0.93 -2.27 0.00 0.00 179.45 178.58 2qxu h GLU 171 N 0.20 0.73 -0.08 1.90 5.08 -1.07 -1.05 114.58 120.29 2qxu h GLU 171 Ca 0.16 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2qxu h GLU 171 Cb 0.18 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2qxu h GLU 171 CO -0.21 0.48 -0.17 0.78 -1.00 0.00 0.00 179.01 178.90 2qxu h GLY 172 N 0.75 0.14 1.26 -3.84 0.00 -0.27 0.56 103.07 101.67 2qxu h GLY 172 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2qxu h GLY 172 CO -0.07 0.08 -0.47 1.04 0.00 0.00 0.00 176.54 177.11 2qxu n LEU 173 N -4.28 0.56 -1.67 3.11 4.77 0.05 -3.73 117.00 115.81 2qxu n LEU 173 Ca -0.01 0.21 0.08 0.00 -0.03 0.00 0.00 56.01 56.25 2qxu n LEU 173 Cb 0.27 -0.25 0.37 0.00 -2.33 0.00 0.00 43.42 41.48 2qxu n LEU 173 CO 0.37 0.00 0.84 0.59 -1.33 0.00 0.00 177.39 177.86 2qxu n ASN 174 N -1.85 5.22 0.00 -1.43 3.02 -0.45 -4.90 115.26 114.87 2qxu n ASN 174 Ca 0.05 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 51.80 2qxu n ASN 174 Cb 0.39 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 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 0.62 0.76 0.36 7.41 0.00 -1.17 -4.96 105.19 108.22 2qxu n GLY 175 Ca 0.26 -0.30 0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.41 -0.23 3.96 -0.02 0.00 0.19 -4.88 105.19 101.79 2qxu n GLY 176 Ca 0.00 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.94 1.80 0.21 -0.02 0.00 -1.26 -4.76 107.32 101.36 2qxu s GLY 177 Ca 0.39 -1.48 -0.13 0.00 0.00 0.00 0.00 44.72 43.51 2qxu s GLY 177 CO 0.33 -0.69 0.43 -0.86 0.00 0.00 0.00 173.10 172.30 2qxu s GLN 178 N -5.76 1.39 -0.29 2.90 -2.07 -0.52 -4.74 119.66 110.57 2qxu s GLN 178 Ca 0.74 -1.14 0.02 0.00 -1.82 0.00 0.00 55.36 53.16 2qxu s GLN 178 Cb -0.03 0.45 0.19 0.00 -1.09 0.00 0.00 33.01 32.53 2qxu s GLN 178 CO 0.52 -0.56 0.57 1.21 -1.32 0.00 0.00 175.29 175.70 2qxu s ASN 179 N -2.97 -1.24 0.00 12.60 3.84 -1.17 -1.40 114.94 124.60 2qxu s ASN 179 Ca 0.18 0.49 0.15 0.00 0.21 0.00 0.00 52.86 53.89 2qxu s ASN 179 Cb 0.00 1.97 0.42 0.00 -0.55 0.00 0.00 41.25 43.10 2qxu s ASN 179 CO 0.04 -0.28 1.35 0.35 -2.79 0.00 0.00 177.10 175.76 2qxu n THR 180 N 5.42 0.59 1.60 -5.21 -2.24 -0.56 -5.03 114.28 108.85 2qxu n THR 180 Ca 0.01 -0.60 0.14 0.00 -2.27 0.00 0.00 64.05 61.34 2qxu n THR 180 Cb 0.52 0.32 0.61 0.00 -2.10 0.00 0.00 70.33 69.68 2qxu n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09