#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qex n GLU 5 N 0.00 -1.28 -3.94 0.00 1.02 -1.26 -4.99 120.64 110.18 2qex n GLU 5 Ca 0.00 1.40 -0.35 0.00 -0.02 0.00 0.00 57.16 58.18 2qex n GLU 5 Cb 0.00 -2.25 -0.12 0.00 -0.02 0.00 0.00 31.44 29.05 2qex n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2qex s PHE 6 N -1.11 3.10 -1.36 -0.32 5.36 -1.26 -5.01 117.98 117.38 2qex s PHE 6 Ca -0.01 -0.31 -0.11 0.00 -0.96 0.00 0.00 56.93 55.54 2qex s PHE 6 Cb 0.00 -2.15 0.11 0.00 -0.34 0.00 0.00 43.02 40.64 2qex s PHE 6 CO 0.23 -0.19 2.05 -3.47 -1.46 0.00 0.00 175.22 172.37 2qex n ASP 7 N 4.35 4.65 -4.70 6.13 2.03 -1.26 -4.98 116.55 122.78 2qex n ASP 7 Ca -0.17 -2.99 -0.42 0.00 0.52 0.00 0.00 54.79 51.73 2qex n ASP 7 Cb 0.52 -1.55 -0.03 0.00 -0.72 0.00 0.00 41.12 39.34 2qex n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qex s ALA 8 N 1.57 3.38 0.23 -1.67 0.00 -1.26 -4.88 121.76 119.12 2qex s ALA 8 Ca 0.43 0.59 0.05 0.00 0.00 0.00 0.00 51.96 53.02 2qex s ALA 8 Cb 0.12 -3.45 0.23 0.00 0.00 0.00 0.00 23.12 20.02 2qex s ALA 8 CO -0.04 -0.55 1.54 -0.44 0.00 0.00 0.00 175.76 176.28 2qex h ASP 9 N 7.10 0.25 -3.86 0.00 3.32 -1.47 -3.45 116.42 118.31 2qex h ASP 9 Ca -0.36 -0.15 -0.33 0.00 0.02 0.00 0.00 57.03 56.21 2qex h ASP 9 Cb 1.18 -0.07 -0.29 0.00 0.22 0.00 0.00 39.33 40.37 2qex h ASP 9 CO 0.83 0.82 -0.75 -0.69 -1.72 0.00 0.00 179.24 177.73 2qex s VAL 10 N -3.68 0.40 -0.19 -1.35 1.01 -0.74 -5.01 120.40 110.84 2qex s VAL 10 Ca -0.04 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2qex s VAL 10 Cb 0.12 -0.35 0.03 0.00 0.00 0.00 0.00 36.38 36.17 2qex s VAL 10 CO 0.80 0.12 -0.18 -0.63 0.00 0.00 0.00 175.10 175.21 2qex s ILE 11 N -0.02 2.03 -0.05 2.22 1.01 -1.26 -1.55 121.20 123.57 2qex s ILE 11 Ca 0.01 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.63 2qex s ILE 11 Cb -0.03 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 2qex s ILE 11 CO -0.00 0.45 0.04 -0.69 0.00 0.00 0.00 174.94 174.74 2qex s VAL 12 N 1.28 4.58 -0.43 2.92 1.01 -0.59 -0.35 120.40 128.82 2qex s VAL 12 Ca 0.03 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 2qex s VAL 12 Cb -0.14 -3.00 0.05 0.00 0.00 0.00 0.00 36.38 33.29 2qex s VAL 12 CO -0.12 0.50 0.33 -0.62 0.00 0.00 0.00 175.10 175.19 2qex s ASP 13 N -1.25 6.04 0.00 3.32 3.68 0.02 -1.20 116.67 127.27 2qex s ASP 13 Ca 0.17 -1.15 0.29 0.00 2.13 0.00 0.00 52.55 53.99 2qex s ASP 13 Cb -0.12 -2.14 1.31 0.00 -1.45 0.00 0.00 42.92 40.52 2qex s ASP 13 CO 0.07 -0.53 1.90 0.00 0.13 0.00 0.00 175.17 176.74 2qex n ALA 14 N 5.14 2.72 -1.68 3.66 0.00 -0.93 -4.68 120.51 124.74 2qex n ALA 14 Ca -0.12 -0.27 -0.49 0.00 0.00 0.00 0.00 53.44 52.57 2qex n ALA 14 Cb 0.45 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 2qex n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2qex n ARG 15 N -0.89 2.03 -2.12 0.00 0.63 -1.26 -1.25 116.66 113.80 2qex n ARG 15 Ca 0.16 0.74 -0.20 0.00 -0.92 0.00 0.00 57.85 57.62 2qex n ARG 15 Cb 0.26 -2.54 -0.04 0.00 0.45 0.00 0.00 32.46 30.60 2qex n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2qex n ASP 16 N 5.35 -5.68 -4.53 6.15 8.00 -0.18 -4.95 116.55 120.71 2qex n ASP 16 Ca 0.21 0.17 -0.32 0.00 0.71 0.00 0.00 54.79 55.56 2qex n ASP 16 Cb 0.27 -4.83 -0.12 0.00 -0.02 0.00 0.00 41.12 36.43 2qex n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qex s ILE 18 N -0.89 3.24 0.09 0.00 1.01 0.16 -1.57 121.20 123.24 2qex s ILE 18 Ca 0.15 0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.83 2qex s ILE 18 Cb -0.11 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2qex s ILE 18 CO 0.05 -0.30 1.11 0.80 0.00 0.00 0.00 174.94 176.60 2qex n MET 19 N 8.75 -0.26 -0.36 2.79 0.00 0.04 -1.72 117.12 126.35 2qex n MET 19 Ca 0.27 1.10 0.02 0.00 -0.00 0.00 0.00 57.70 59.09 2qex n MET 19 Cb 0.49 -1.62 0.17 0.00 0.00 0.00 0.00 33.22 32.26 2qex n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 2qex h GLY 20 N 0.00 1.49 1.78 -5.12 0.00 -1.91 0.74 103.07 100.05 2qex h GLY 20 Ca 0.09 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 2qex h GLY 20 CO -0.56 0.36 -0.30 3.21 0.00 0.00 0.00 176.54 179.26 2qex h ARG 21 N 1.19 0.26 -0.01 4.80 3.08 -1.73 -0.99 114.38 120.98 2qex h ARG 21 Ca 0.42 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 2qex h ARG 21 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2qex h ARG 21 CO -0.15 0.54 -0.04 0.28 -1.07 0.00 0.00 179.97 179.52 2qex h VAL 22 N 0.23 1.55 -1.00 2.04 2.07 -0.72 -3.23 116.25 117.18 2qex h VAL 22 Ca 0.03 -1.69 0.16 0.00 0.82 0.00 0.00 66.70 66.02 2qex h VAL 22 Cb 0.65 2.67 -0.10 0.00 -1.52 0.00 0.00 31.29 33.00 2qex h VAL 22 CO 0.05 0.44 0.62 0.00 0.02 0.00 0.00 177.57 178.70 2qex h ALA 23 N 0.30 1.59 -0.68 1.67 0.00 -0.68 -0.99 119.26 120.47 2qex h ALA 23 Ca -0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2qex h ALA 23 Cb 0.75 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2qex h ALA 23 CO 0.01 0.09 0.20 1.03 0.00 0.00 0.00 179.25 180.58 2qex h SER 24 N 0.88 0.99 0.70 0.00 0.87 -1.25 -1.81 113.55 113.93 2qex h SER 24 Ca 0.54 -0.19 -0.18 0.00 -1.23 0.00 0.00 61.79 60.73 2qex h SER 24 Cb 0.69 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2qex h SER 24 CO -0.33 0.93 -0.84 1.56 -0.53 0.00 0.00 176.83 177.63 2qex h GLN 25 N 1.01 0.09 -0.38 2.24 4.20 -1.27 -2.17 115.11 118.83 2qex h GLN 25 Ca 0.22 -0.10 -0.16 0.00 0.06 0.00 0.00 58.65 58.67 2qex h GLN 25 Cb 0.31 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2qex h GLN 25 CO -0.01 0.87 -0.40 0.28 -0.67 0.00 0.00 178.83 178.91 2qex h VAL 26 N 0.05 1.27 -0.43 -0.54 2.07 -1.05 -2.38 116.25 115.24 2qex h VAL 26 Ca -0.02 -1.57 -0.04 0.00 0.82 0.00 0.00 66.70 65.88 2qex h VAL 26 Cb 1.46 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 2qex h VAL 26 CO 0.12 0.53 0.11 0.00 0.02 0.00 0.00 177.57 178.34 2qex h ALA 27 N 0.77 0.57 -0.26 1.67 0.00 -1.32 0.10 119.26 120.79 2qex h ALA 27 Ca 0.06 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2qex h ALA 27 Cb 1.00 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 2qex h ALA 27 CO 0.10 0.26 -0.11 1.49 0.00 0.00 0.00 179.25 180.98 2qex h GLU 28 N 0.57 -0.07 -0.34 0.00 4.57 -1.30 -1.85 114.58 116.17 2qex h GLU 28 Ca 0.14 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.18 2qex h GLU 28 Cb 0.32 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2qex h GLU 28 CO 0.00 -0.05 -0.36 1.96 -1.18 0.00 0.00 179.01 179.39 2qex h GLN 29 N -0.07 0.83 -0.97 1.92 4.20 -1.25 -3.02 115.11 116.75 2qex h GLN 29 Ca 0.13 -0.45 0.01 0.00 0.06 0.00 0.00 58.65 58.41 2qex h GLN 29 Cb 0.27 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 2qex h GLN 29 CO -0.31 1.09 0.64 0.00 -0.67 0.00 0.00 178.83 179.58 2qex h ALA 30 N 0.73 1.32 0.00 3.87 0.00 -0.74 -0.20 119.26 124.25 2qex h ALA 30 Ca 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2qex h ALA 30 Cb 0.94 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2qex h ALA 30 CO 0.09 0.62 -0.16 -0.07 0.00 0.00 0.00 179.25 179.73 2qex h LEU 31 N 1.29 0.00 -0.41 0.00 3.38 -1.32 -1.02 115.31 117.23 2qex h LEU 31 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2qex h LEU 31 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2qex h LEU 31 CO -0.08 0.16 0.00 0.47 0.09 0.00 0.00 178.44 179.08 2qex n ASP 32 N -3.53 0.60 0.00 -0.43 9.92 -0.14 -4.87 116.55 118.11 2qex n ASP 32 Ca -0.01 -1.95 0.00 0.00 -0.53 0.00 0.00 54.79 52.30 2qex n ASP 32 Cb 0.31 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 2qex n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qex n GLY 33 N 0.70 0.49 3.89 0.44 0.00 -0.39 -5.06 105.19 105.28 2qex n GLY 33 Ca 0.05 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 2qex n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qex s GLU 34 N -2.84 3.49 -0.31 1.61 0.41 -0.86 -5.01 118.70 115.19 2qex s GLU 34 Ca 0.00 -0.21 -0.14 0.00 -0.41 0.00 0.00 54.97 54.21 2qex s GLU 34 Cb 0.00 -3.10 -0.03 0.00 -1.78 0.00 0.00 34.13 29.23 2qex s GLU 34 CO 0.00 0.67 0.32 0.99 -0.49 0.00 0.00 175.26 176.75 2qex s THR 35 N -1.29 5.21 -0.00 3.63 2.01 -1.26 -4.31 115.64 119.63 2qex s THR 35 Ca 0.26 0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.53 2qex s THR 35 Cb -0.13 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 2qex s THR 35 CO 0.16 0.05 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.20 2qex s VAL 36 N 1.95 2.12 -0.24 3.82 1.01 -1.01 -1.05 120.40 127.01 2qex s VAL 36 Ca 0.11 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2qex s VAL 36 Cb -0.16 -1.76 0.06 0.00 0.00 0.00 0.00 36.38 34.52 2qex s VAL 36 CO 0.11 0.52 -0.03 0.00 0.00 0.00 0.00 175.10 175.70 2qex s ALA 37 N -0.67 1.84 -0.09 5.51 0.00 -0.60 -1.64 121.76 126.12 2qex s ALA 37 Ca 0.11 -1.32 -0.24 0.00 0.00 0.00 0.00 51.96 50.50 2qex s ALA 37 Cb -0.10 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 2qex s ALA 37 CO -0.00 -1.23 0.75 0.08 0.00 0.00 0.00 175.76 175.36 2qex s VAL 38 N 1.45 4.99 0.12 0.00 1.01 -0.57 -1.54 120.40 125.86 2qex s VAL 38 Ca -0.04 1.53 0.08 0.00 0.00 0.00 0.00 61.98 63.56 2qex s VAL 38 Cb -0.19 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2qex s VAL 38 CO -0.07 0.18 -0.15 0.54 0.00 0.00 0.00 175.10 175.60 2qex s VAL 39 N 1.19 3.04 -1.13 2.92 0.11 -0.34 -0.44 120.40 125.75 2qex s VAL 39 Ca 0.39 -1.46 -0.04 0.00 -2.93 0.00 0.00 61.98 57.94 2qex s VAL 39 Cb -0.18 -2.42 0.00 0.00 -1.53 0.00 0.00 36.38 32.26 2qex s VAL 39 CO 0.17 0.07 0.97 0.59 -3.33 0.00 0.00 175.10 173.57 2qex n ASN 40 N 0.66 -3.89 -0.13 3.54 3.02 -0.38 -2.20 115.26 115.88 2qex n ASN 40 Ca -0.14 -0.52 0.06 0.00 -0.03 0.00 0.00 54.58 53.95 2qex n ASN 40 Cb 0.53 -4.56 0.37 0.00 -0.61 0.00 0.00 39.78 35.50 2qex n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qex h ALA 41 N 0.85 1.70 -0.02 5.41 0.00 -1.66 -1.48 119.26 124.06 2qex h ALA 41 Ca -0.51 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.38 2qex h ALA 41 Cb 1.31 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2qex h ALA 41 CO 0.47 0.22 0.05 1.05 0.00 0.00 0.00 179.25 181.04 2qex h GLU 42 N 0.71 0.00 -0.65 0.00 9.09 -1.88 -1.40 114.58 120.44 2qex h GLU 42 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.67 2qex h GLU 42 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 2qex h GLU 42 CO -0.08 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.52 2qex n ARG 43 N -3.37 2.89 -1.40 1.06 1.74 -0.56 -1.96 116.66 115.05 2qex n ARG 43 Ca -0.02 -2.59 -0.29 0.00 -0.77 0.00 0.00 57.85 54.17 2qex n ARG 43 Cb 0.13 -1.56 0.13 0.00 -1.02 0.00 0.00 32.46 30.14 2qex n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qex s ALA 44 N -1.13 1.68 0.06 7.54 0.00 -0.53 -1.01 121.76 128.37 2qex s ALA 44 Ca 0.45 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.09 2qex s ALA 44 Cb 0.24 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 2qex s ALA 44 CO 0.29 -2.27 -0.06 0.54 0.00 0.00 0.00 175.76 174.26 2qex s VAL 45 N -3.12 0.48 -0.04 0.00 0.11 -0.61 -2.24 120.40 114.99 2qex s VAL 45 Ca 0.63 -1.53 -0.02 0.00 -2.93 0.00 0.00 61.98 58.13 2qex s VAL 45 Cb -0.16 -1.16 0.03 0.00 -1.53 0.00 0.00 36.38 33.56 2qex s VAL 45 CO 0.55 -0.71 0.05 -0.51 -3.33 0.00 0.00 175.10 171.15 2qex s ILE 46 N -2.76 -0.02 0.59 7.04 2.07 -0.66 -0.78 121.20 126.68 2qex s ILE 46 Ca 0.01 0.36 -0.17 0.00 -1.41 0.00 0.00 60.65 59.44 2qex s ILE 46 Cb -0.01 -0.21 -0.03 0.00 0.13 0.00 0.00 42.46 42.34 2qex s ILE 46 CO -0.04 0.18 1.10 -0.89 -1.91 0.00 0.00 174.94 173.38 2qex s THR 47 N 2.01 3.39 -1.84 4.00 2.01 -1.26 -1.18 115.64 122.78 2qex s THR 47 Ca 0.03 0.73 0.00 0.00 0.31 0.00 0.00 61.69 62.77 2qex s THR 47 Cb -0.12 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.14 2qex s THR 47 CO -0.03 -0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.19 2qex n GLY 48 N -0.39 0.91 3.59 4.40 0.00 -0.56 -4.88 105.19 108.27 2qex n GLY 48 Ca 0.10 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 2qex n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qex s ARG 49 N -0.99 3.60 0.37 1.61 3.52 -1.26 -2.97 118.95 122.84 2qex s ARG 49 Ca 0.00 0.56 0.20 0.00 -0.13 0.00 0.00 55.73 56.36 2qex s ARG 49 Cb 0.00 -3.98 1.26 0.00 -1.56 0.00 0.00 34.95 30.67 2qex s ARG 49 CO 0.00 -1.55 1.62 1.49 -0.81 0.00 0.00 175.30 176.06 2qex h GLU 50 N 9.80 0.15 -0.79 5.12 4.81 -1.94 -1.45 114.58 130.27 2qex h GLU 50 Ca -0.25 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.98 2qex h GLU 50 Cb 1.07 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.38 2qex h GLU 50 CO 1.14 0.10 0.52 0.93 -0.73 0.00 0.00 179.01 180.97 2qex h GLU 51 N 0.15 1.04 0.00 1.92 3.07 -2.00 -2.11 114.58 116.65 2qex h GLU 51 Ca 0.80 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 59.44 2qex h GLU 51 Cb 2.07 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 29.72 2qex h GLU 51 CO -0.64 0.69 -0.78 -0.56 -1.40 0.00 0.00 179.01 176.32 2qex h GLN 52 N 1.07 0.00 -0.07 2.33 -0.00 -1.69 -2.71 115.11 114.05 2qex h GLN 52 Ca 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.92 2qex h GLN 52 Cb -0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.35 2qex h GLN 52 CO -0.06 0.70 -0.02 0.82 -0.00 0.00 0.00 178.83 180.27 2qex h ILE 53 N 0.00 1.30 -0.50 1.86 2.04 -1.33 -2.83 117.51 118.05 2qex h ILE 53 Ca -0.02 -0.94 -0.08 0.00 1.00 0.00 0.00 64.86 64.83 2qex h ILE 53 Cb 1.57 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 39.41 2qex h ILE 53 CO 0.09 0.26 0.00 0.58 0.00 0.00 0.00 178.15 179.08 2qex h VAL 54 N -0.21 1.25 -0.59 1.67 2.07 -1.47 -2.55 116.25 116.42 2qex h VAL 54 Ca 0.02 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.56 2qex h VAL 54 Cb 0.42 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2qex h VAL 54 CO 0.01 0.36 0.39 -0.33 0.02 0.00 0.00 177.57 178.02 2qex h GLU 55 N 0.77 0.63 -0.11 1.57 5.08 -1.43 0.13 114.58 121.23 2qex h GLU 55 Ca 0.15 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2qex h GLU 55 Cb 0.46 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2qex h GLU 55 CO 0.02 0.42 -0.23 -0.22 -1.00 0.00 0.00 179.01 178.00 2qex h LYS 56 N 0.65 0.35 -0.39 2.33 3.64 -1.22 -2.33 116.57 119.60 2qex h LYS 56 Ca 0.25 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 2qex h LYS 56 Cb 0.16 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2qex h LYS 56 CO -0.07 0.82 -0.16 1.88 -2.27 0.00 0.00 179.45 179.65 2qex h TYR 57 N -0.08 0.81 -0.15 1.91 -1.99 -0.99 -2.00 116.97 114.49 2qex h TYR 57 Ca 0.00 -0.16 -0.13 0.00 2.00 0.00 0.00 58.73 60.44 2qex h TYR 57 Cb 0.81 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.33 2qex h TYR 57 CO 0.11 0.84 -0.48 0.93 -0.00 0.00 0.00 178.16 179.56 2qex h GLU 58 N 0.65 0.37 -0.33 4.88 5.08 -0.82 -2.77 114.58 121.64 2qex h GLU 58 Ca 0.10 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 2qex h GLU 58 Cb 0.64 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2qex h GLU 58 CO 0.05 0.77 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.48 2qex h LYS 59 N 0.30 0.58 0.00 2.33 1.63 -1.11 -2.04 116.57 118.26 2qex h LYS 59 Ca 0.02 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.62 2qex h LYS 59 Cb 0.95 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.52 2qex h LYS 59 CO 0.08 0.69 -0.11 0.00 -3.45 0.00 0.00 179.45 176.67 2qex h ARG 60 N 0.53 0.00 0.20 1.90 3.08 -1.10 -2.72 114.38 116.27 2qex h ARG 60 Ca 0.09 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.83 2qex h ARG 60 Cb 0.54 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.61 2qex h ARG 60 CO 0.03 0.11 -1.45 0.28 -1.07 0.00 0.00 179.97 177.87 2qex h VAL 61 N 0.00 1.30 -0.17 2.04 2.07 -1.19 -3.33 116.25 116.96 2qex h VAL 61 Ca -0.00 -2.80 -0.10 0.00 0.82 0.00 0.00 66.70 64.62 2qex h VAL 61 Cb 0.51 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 2qex h VAL 61 CO 0.01 0.84 -0.32 0.44 0.02 0.00 0.00 177.57 178.56 2qex h ASP 62 N 0.11 0.35 -3.80 0.57 3.32 -1.25 -3.44 116.42 112.29 2qex h ASP 62 Ca -0.23 -0.13 -0.54 0.00 0.02 0.00 0.00 57.03 56.15 2qex h ASP 62 Cb 2.09 -0.10 0.10 0.00 0.22 0.00 0.00 39.33 41.65 2qex h ASP 62 CO 0.23 0.66 0.81 -0.63 -1.72 0.00 0.00 179.24 178.60 2qex s ILE 63 N -4.34 2.02 0.00 0.35 1.01 -1.04 -4.93 121.20 114.26 2qex s ILE 63 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.61 2qex s ILE 63 Cb 0.14 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.59 2qex s ILE 63 CO 0.78 0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.33 2qex n GLY 64 N 0.85 0.71 0.00 6.18 0.00 -1.26 -4.62 105.19 107.05 2qex n GLY 64 Ca 0.03 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2qex n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qex n ASN 65 N 0.00 0.00 -0.24 1.61 0.23 -1.26 -4.96 115.26 110.64 2qex n ASN 65 Ca 0.00 -0.70 -0.04 0.00 -0.53 0.00 0.00 54.58 53.31 2qex n ASN 65 Cb 0.00 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 37.82 2qex n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2qex h ASP 66 N 0.00 0.99 -0.61 0.53 3.32 -2.05 -2.02 116.42 116.58 2qex h ASP 66 Ca 0.00 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 56.91 2qex h ASP 66 Cb 0.00 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 2qex h ASP 66 CO 0.00 0.88 0.40 -1.13 -1.72 0.00 0.00 179.24 177.67 2qex h ASN 67 N 1.05 0.69 -0.99 6.45 -0.73 -2.05 -3.48 115.58 116.52 2qex h ASN 67 Ca 0.24 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.40 2qex h ASN 67 Cb 0.20 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.62 2qex h ASN 67 CO -0.02 0.50 0.00 0.61 -0.37 0.00 0.00 177.43 178.15 2qex n GLY 68 N -1.27 2.30 2.37 1.57 0.00 -0.76 -5.02 105.19 104.39 2qex n GLY 68 Ca 0.05 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.22 2qex n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2qex n TYR 69 N 1.73 -1.02 -2.13 1.61 9.36 -1.26 -4.81 117.16 120.64 2qex n TYR 69 Ca 0.00 -3.23 -0.43 0.00 3.32 0.00 0.00 57.90 57.57 2qex n TYR 69 Cb 0.00 0.21 -0.03 0.00 -0.63 0.00 0.00 39.34 38.89 2qex n TYR 69 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 2qex s PHE 70 N -0.19 2.19 -0.12 2.98 5.36 -1.26 -4.79 117.98 122.15 2qex s PHE 70 Ca 0.33 0.50 -0.00 0.00 -0.96 0.00 0.00 56.93 56.80 2qex s PHE 70 Cb 0.07 -3.87 0.02 0.00 -0.34 0.00 0.00 43.02 38.91 2qex s PHE 70 CO -0.17 -3.06 -0.09 -0.47 -1.46 0.00 0.00 175.22 169.97 2qex s TYR 71 N 4.44 1.62 0.55 10.12 5.04 -1.26 -5.13 117.35 132.73 2qex s TYR 71 Ca 0.69 -0.83 -0.22 0.00 -2.44 0.00 0.00 57.07 54.28 2qex s TYR 71 Cb -0.27 -1.30 -0.05 0.00 0.35 0.00 0.00 41.96 40.68 2qex s TYR 71 CO 0.27 -0.54 1.33 -0.35 -1.34 0.00 0.00 175.55 174.92 2qex n PRO 72 N 4.87 1.65 -0.01 4.97 -0.04 -1.26 -4.92 135.00 140.25 2qex n PRO 72 Ca -0.14 0.61 0.04 0.00 -0.04 0.00 0.00 63.50 63.97 2qex n PRO 72 Cb 0.50 -2.54 -0.08 0.00 -0.04 0.00 0.00 33.50 31.34 2qex n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2qex n LYS 73 N -0.98 0.66 -3.13 0.54 5.02 -1.26 -4.63 118.16 114.38 2qex n LYS 73 Ca 0.11 -0.08 -0.32 0.00 -2.02 0.00 0.00 58.31 56.00 2qex n LYS 73 Cb 0.45 -1.25 -0.05 0.00 -0.02 0.00 0.00 35.03 34.15 2qex n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qex s ARG 74 N -2.66 3.89 0.67 1.97 0.52 -1.26 -4.23 118.95 117.84 2qex s ARG 74 Ca -0.04 0.51 0.44 0.00 -0.52 0.00 0.00 55.73 56.12 2qex s ARG 74 Cb 0.06 -2.47 2.41 0.00 0.52 0.00 0.00 34.95 35.47 2qex s ARG 74 CO 0.44 0.14 2.36 -1.00 0.02 0.00 0.00 175.30 177.26 2qex h PRO 75 N 2.03 0.00 0.37 3.54 0.13 -1.93 -2.00 132.00 134.14 2qex h PRO 75 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2qex h PRO 75 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2qex h PRO 75 CO 0.66 0.00 -0.28 -0.44 -0.23 0.00 0.00 178.00 177.71 2qex h ASP 76 N 0.00 -0.73 -0.17 1.44 3.32 -1.93 -2.97 116.42 115.37 2qex h ASP 76 Ca 0.00 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2qex h ASP 76 Cb 0.03 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2qex h ASP 76 CO -0.00 -0.40 0.02 1.23 -1.72 0.00 0.00 179.24 178.37 2qex h GLY 77 N -0.63 0.32 -0.19 2.75 0.00 -1.85 -2.32 103.07 101.15 2qex h GLY 77 Ca -0.05 -0.22 0.19 0.00 0.00 0.00 0.00 47.33 47.25 2qex h GLY 77 CO 0.02 0.20 0.21 -2.22 0.00 0.00 0.00 176.54 174.75 2qex h ILE 78 N 0.07 0.45 -0.09 2.60 1.08 -1.46 0.92 117.51 121.08 2qex h ILE 78 Ca 0.05 -0.09 -0.04 0.00 -0.39 0.00 0.00 64.86 64.39 2qex h ILE 78 Cb 0.34 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.24 2qex h ILE 78 CO 0.01 0.05 -0.10 0.15 -0.69 0.00 0.00 178.15 177.57 2qex h PHE 79 N 0.27 0.28 0.00 1.37 -0.00 -1.51 -1.56 116.94 115.79 2qex h PHE 79 Ca 0.47 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.97 58.31 2qex h PHE 79 Cb 0.85 -0.06 -0.01 0.00 -0.00 0.00 0.00 35.95 36.73 2qex h PHE 79 CO -0.26 0.66 -0.21 -0.22 -0.00 0.00 0.00 178.31 178.29 2qex h LYS 80 N -0.18 0.00 -0.15 1.11 3.64 -0.42 -1.89 116.57 118.67 2qex h LYS 80 Ca 0.01 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.19 2qex h LYS 80 Cb 0.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2qex h LYS 80 CO 0.02 0.21 -0.73 -0.09 -2.27 0.00 0.00 179.45 176.60 2qex h ARG 81 N 0.00 0.67 -0.59 1.90 9.65 0.87 -1.85 114.38 125.03 2qex h ARG 81 Ca -0.00 -0.52 -0.03 0.00 -1.10 0.00 0.00 59.98 58.32 2qex h ARG 81 Cb 0.39 0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.04 2qex h ARG 81 CO 0.03 1.14 0.23 1.15 2.80 0.00 0.00 179.97 185.32 2qex h THR 82 N 0.47 1.21 -0.09 0.20 2.02 -0.58 -2.25 112.91 113.89 2qex h THR 82 Ca -0.04 -0.67 -0.24 0.00 0.77 0.00 0.00 66.41 66.23 2qex h THR 82 Cb 1.33 0.52 0.01 0.00 -1.74 0.00 0.00 68.15 68.28 2qex h THR 82 CO 0.14 0.27 -0.89 0.40 0.37 0.00 0.00 175.52 175.81 2qex h ILE 83 N 0.84 1.28 -0.19 3.11 2.04 -1.29 -3.12 117.51 120.18 2qex h ILE 83 Ca 0.20 -2.08 0.02 0.00 1.00 0.00 0.00 64.86 64.00 2qex h ILE 83 Cb 0.18 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2qex h ILE 83 CO -0.02 0.65 0.13 -0.09 0.00 0.00 0.00 178.15 178.83 2qex h ARG 84 N 0.49 0.15 0.00 2.37 2.43 -0.99 0.84 114.38 119.67 2qex h ARG 84 Ca -0.08 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2qex h ARG 84 Cb 1.53 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 2qex h ARG 84 CO 0.18 0.10 0.00 0.41 -1.51 0.00 0.00 179.97 179.15 2qex n GLY 85 N -1.53 -0.93 0.44 2.80 0.00 -0.88 -1.73 105.19 103.37 2qex n GLY 85 Ca 0.01 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.02 2qex n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2qex n MET 86 N -1.47 2.57 -4.66 1.61 2.81 0.28 -4.99 117.12 113.27 2qex n MET 86 Ca 0.04 -1.78 -0.23 0.00 -1.81 0.00 0.00 57.70 53.91 2qex n MET 86 Cb 0.15 -1.19 -0.15 0.00 -0.71 0.00 0.00 33.22 31.32 2qex n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2qex s LEU 87 N -0.96 2.07 -1.30 4.03 1.43 -0.70 -4.94 118.68 118.31 2qex s LEU 87 Ca 0.16 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 52.77 2qex s LEU 87 Cb 0.08 -0.79 -0.03 0.00 0.03 0.00 0.00 46.19 45.48 2qex s LEU 87 CO 0.11 0.16 2.27 -0.81 0.23 0.00 0.00 176.35 178.32 2qex n PRO 88 N 2.46 2.64 0.03 1.29 -0.04 -1.26 -4.76 135.00 135.36 2qex n PRO 88 Ca -0.15 -2.30 0.02 0.00 -0.04 0.00 0.00 63.50 61.02 2qex n PRO 88 Cb 0.54 -3.08 0.09 0.00 -0.04 0.00 0.00 33.50 31.02 2qex n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2qex n HIS 89 N 5.88 0.11 -0.80 0.54 1.44 -1.26 -1.92 115.22 119.21 2qex n HIS 89 Ca 0.55 0.06 0.08 0.00 -2.01 0.00 0.00 57.72 56.40 2qex n HIS 89 Cb 0.35 -0.58 0.39 0.00 0.12 0.00 0.00 29.99 30.27 2qex n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2qex n LYS 90 N -1.61 4.43 -4.41 -1.40 5.02 -1.26 -4.21 118.16 114.72 2qex n LYS 90 Ca -0.00 -3.06 -0.21 0.00 -2.02 0.00 0.00 58.31 53.01 2qex n LYS 90 Cb 0.02 -2.12 -0.10 0.00 -0.02 0.00 0.00 35.03 32.81 2qex n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2qex s LYS 91 N -2.40 1.51 0.08 1.97 1.02 -0.81 -5.01 119.74 116.09 2qex s LYS 91 Ca 0.53 -1.70 -0.35 0.00 0.02 0.00 0.00 55.97 54.48 2qex s LYS 91 Cb 0.38 -1.39 -0.18 0.00 -0.52 0.00 0.00 37.83 36.12 2qex s LYS 91 CO 0.20 0.22 1.59 0.37 -0.92 0.00 0.00 175.35 176.80 2qex h GLN 92 N 2.39 -1.00 -0.80 1.68 4.15 -1.91 0.11 115.11 119.73 2qex h GLN 92 Ca -0.39 0.07 0.08 0.00 0.77 0.00 0.00 58.65 59.17 2qex h GLN 92 Cb 1.24 0.23 -0.05 0.00 0.21 0.00 0.00 27.48 29.10 2qex h GLN 92 CO 0.62 -0.66 0.52 -0.09 -1.93 0.00 0.00 178.83 177.29 2qex h ARG 93 N -1.03 0.79 0.06 1.69 2.43 -1.98 -2.15 114.38 114.18 2qex h ARG 93 Ca -0.08 -0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 58.80 2qex h ARG 93 Cb 0.84 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2qex h ARG 93 CO 0.07 0.52 -1.06 0.78 -1.51 0.00 0.00 179.97 178.77 2qex h GLY 94 N 0.81 0.25 0.97 2.80 0.00 -1.63 -2.84 103.07 103.45 2qex h GLY 94 Ca 0.36 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 2qex h GLY 94 CO -0.13 0.49 -0.32 -0.09 0.00 0.00 0.00 176.54 176.48 2qex h ARG 95 N 0.09 0.70 -0.06 4.80 2.43 -0.41 -2.03 114.38 119.90 2qex h ARG 95 Ca -0.08 -0.39 0.02 0.00 -0.81 0.00 0.00 59.98 58.73 2qex h ARG 95 Cb 1.76 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 31.30 2qex h ARG 95 CO 0.17 1.00 -0.09 0.93 -1.51 0.00 0.00 179.97 180.47 2qex h GLU 96 N 0.43 -0.13 -0.25 0.20 5.08 -1.48 0.86 114.58 119.29 2qex h GLU 96 Ca 0.04 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2qex h GLU 96 Cb 0.90 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 2qex h GLU 96 CO 0.08 -0.08 -0.01 0.00 -1.00 0.00 0.00 179.01 178.00 2qex h ALA 97 N 0.90 0.22 -0.40 3.43 0.00 -1.49 -0.74 119.26 121.18 2qex h ALA 97 Ca 0.06 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qex h ALA 97 Cb 0.21 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2qex h ALA 97 CO -0.14 -0.43 0.26 0.35 0.00 0.00 0.00 179.25 179.30 2qex h PHE 98 N 0.07 0.50 0.00 0.00 3.57 -1.07 -2.07 116.94 117.93 2qex h PHE 98 Ca 0.12 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2qex h PHE 98 Cb 0.16 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2qex h PHE 98 CO -0.21 0.32 0.00 0.93 -2.23 0.00 0.00 178.31 177.12 2qex h GLU 99 N 0.54 0.00 -0.96 1.11 5.08 -0.40 -2.29 114.58 117.65 2qex h GLU 99 Ca 0.15 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.13 2qex h GLU 99 Cb -0.06 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 28.96 2qex h GLU 99 CO -0.03 0.00 0.48 -1.13 -1.00 0.00 0.00 179.01 177.33 2qex n SER 100 N -2.61 3.75 -3.87 1.42 3.41 -0.32 -4.82 113.62 110.59 2qex n SER 100 Ca 0.01 -3.25 -0.13 0.00 -0.26 0.00 0.00 58.87 55.24 2qex n SER 100 Cb 0.25 -0.76 -0.14 0.00 -0.26 0.00 0.00 64.21 63.29 2qex n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2qex s VAL 101 N -2.66 0.05 -0.04 -3.33 1.01 -0.86 -2.40 120.40 112.17 2qex s VAL 101 Ca 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 2qex s VAL 101 Cb 0.39 -0.07 0.01 0.00 0.00 0.00 0.00 36.38 36.70 2qex s VAL 101 CO 0.09 0.03 0.11 -0.13 0.00 0.00 0.00 175.10 175.21 2qex s ARG 102 N 0.16 0.16 0.07 2.72 0.52 -0.65 -4.98 118.95 116.95 2qex s ARG 102 Ca -0.01 0.10 0.02 0.00 -0.52 0.00 0.00 55.73 55.32 2qex s ARG 102 Cb -0.02 0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.48 2qex s ARG 102 CO -0.00 -0.02 0.10 0.08 0.02 0.00 0.00 175.30 175.47 2qex s VAL 103 N -0.08 4.69 0.05 3.52 1.01 -1.26 -1.51 120.40 126.82 2qex s VAL 103 Ca -0.01 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2qex s VAL 103 Cb -0.01 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 2qex s VAL 103 CO 0.00 0.14 -0.10 -0.31 0.00 0.00 0.00 175.10 174.83 2qex s TYR 104 N -1.40 0.84 -0.27 5.22 1.51 0.42 -4.93 117.35 118.74 2qex s TYR 104 Ca 0.30 -0.47 -0.19 0.00 -1.01 0.00 0.00 57.07 55.69 2qex s TYR 104 Cb -0.12 -0.49 -0.02 0.00 -0.11 0.00 0.00 41.96 41.22 2qex s TYR 104 CO 0.23 -0.04 0.59 -0.51 -1.11 0.00 0.00 175.55 174.71 2qex s LEU 105 N -1.57 4.09 0.00 -1.29 1.43 -1.26 -1.96 118.68 118.12 2qex s LEU 105 Ca -0.07 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 2qex s LEU 105 Cb -0.10 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.35 2qex s LEU 105 CO 0.01 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.83 2qex n GLY 106 N 4.33 -0.68 2.78 -3.19 0.00 -1.26 -4.69 105.19 102.48 2qex n GLY 106 Ca -0.02 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 2qex n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qex s ASN 107 N -4.00 3.96 0.00 1.61 3.04 -1.26 -1.25 114.94 117.04 2qex s ASN 107 Ca 0.00 -1.55 0.24 0.00 0.04 0.00 0.00 52.86 51.59 2qex s ASN 107 Cb 0.00 -0.94 1.34 0.00 -1.54 0.00 0.00 41.25 40.11 2qex s ASN 107 CO 0.00 -0.38 1.80 -0.81 -3.04 0.00 0.00 177.10 174.67 2qex n PRO 108 N 4.80 0.58 -2.99 0.43 -0.04 -1.26 -4.83 135.00 131.69 2qex n PRO 108 Ca -0.03 0.03 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 2qex n PRO 108 Cb 0.43 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.45 2qex n PRO 108 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2qex s TYR 109 N -2.24 1.45 -0.21 0.54 1.51 -1.26 -5.05 117.35 112.08 2qex s TYR 109 Ca 0.31 -0.68 -0.07 0.00 -1.01 0.00 0.00 57.07 55.61 2qex s TYR 109 Cb 0.16 -2.28 -0.19 0.00 -0.11 0.00 0.00 41.96 39.53 2qex s TYR 109 CO 0.31 -1.19 0.01 -0.25 -1.11 0.00 0.00 175.55 173.32 2qex n ASP 110 N -2.29 2.01 -4.72 2.29 8.00 -1.26 -4.96 116.55 115.62 2qex n ASP 110 Ca 0.16 0.14 -0.30 0.00 0.71 0.00 0.00 54.79 55.50 2qex n ASP 110 Cb 0.61 -0.71 0.13 0.00 -0.02 0.00 0.00 41.12 41.13 2qex n ASP 110 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qex s GLU 111 N -2.51 1.39 -0.12 -1.24 2.02 -1.26 -5.04 118.70 111.95 2qex s GLU 111 Ca -0.31 0.92 -0.05 0.00 0.02 0.00 0.00 54.97 55.55 2qex s GLU 111 Cb 0.09 -1.82 -0.04 0.00 0.10 0.00 0.00 34.13 32.46 2qex s GLU 111 CO 0.64 -2.17 0.08 -0.51 0.02 0.00 0.00 175.26 173.32 2qex s ASP 112 N -3.37 5.92 0.71 -0.19 1.11 -1.26 -5.04 116.67 114.56 2qex s ASP 112 Ca 0.63 0.32 -0.14 0.00 0.18 0.00 0.00 52.55 53.53 2qex s ASP 112 Cb -0.18 -1.85 0.03 0.00 1.07 0.00 0.00 42.92 41.98 2qex s ASP 112 CO 0.57 0.37 1.15 -0.83 1.18 0.00 0.00 175.17 177.61 2qex s GLY 113 N -0.81 2.17 0.27 0.21 0.00 -1.26 -4.97 107.32 102.93 2qex s GLY 113 Ca 0.13 0.66 -0.10 0.00 0.00 0.00 0.00 44.72 45.41 2qex s GLY 113 CO 0.03 1.04 0.61 -1.83 0.00 0.00 0.00 173.10 172.95 2qex s GLU 114 N -4.11 3.83 -0.21 2.90 -1.05 0.53 -4.27 118.70 116.32 2qex s GLU 114 Ca 0.69 0.35 -0.12 0.00 -0.15 0.00 0.00 54.97 55.74 2qex s GLU 114 Cb -0.24 -2.57 -0.05 0.00 -0.44 0.00 0.00 34.13 30.83 2qex s GLU 114 CO 0.45 0.23 0.24 0.08 0.95 0.00 0.00 175.26 177.22 2qex s VAL 115 N -1.94 5.32 0.28 1.83 1.01 -1.26 -0.80 120.40 124.83 2qex s VAL 115 Ca 0.49 0.39 -0.28 0.00 0.00 0.00 0.00 61.98 62.57 2qex s VAL 115 Cb -0.11 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 2qex s VAL 115 CO 0.22 0.34 0.94 -0.76 0.00 0.00 0.00 175.10 175.85 2qex s LEU 116 N 0.92 4.51 0.25 3.92 1.43 -1.26 -5.01 118.68 123.43 2qex s LEU 116 Ca 0.12 1.90 -0.31 0.00 -1.03 0.00 0.00 54.13 54.81 2qex s LEU 116 Cb -0.13 -3.79 -0.11 0.00 0.03 0.00 0.00 46.19 42.18 2qex s LEU 116 CO 0.04 0.06 1.60 -1.81 0.23 0.00 0.00 176.35 176.47 2qex s ASP 117 N -1.38 6.44 0.00 2.29 1.01 -1.26 -2.65 116.67 121.12 2qex s ASP 117 Ca 0.45 2.84 0.00 0.00 0.71 0.00 0.00 52.55 56.55 2qex s ASP 117 Cb -0.23 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.09 2qex s ASP 117 CO 0.28 -0.89 0.00 0.61 0.21 0.00 0.00 175.17 175.38 2qex n GLY 118 N 2.87 2.57 0.10 0.21 0.00 -1.26 -4.90 105.19 104.77 2qex n GLY 118 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 2qex n GLY 118 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qex h THR 119 N 0.00 0.00 -4.09 2.61 1.35 -1.87 -3.48 112.91 107.44 2qex h THR 119 Ca 0.00 -0.61 -0.46 0.00 -0.55 0.00 0.00 66.41 64.79 2qex h THR 119 Cb 0.00 1.31 0.01 0.00 -1.73 0.00 0.00 68.15 67.75 2qex h THR 119 CO 0.00 0.00 0.37 -0.44 -0.25 0.00 0.00 175.52 175.20 2qex s SER 120 N -4.65 6.49 -0.06 5.36 0.01 -1.26 0.39 113.70 119.97 2qex s SER 120 Ca 0.06 1.83 0.05 0.00 1.31 0.00 0.00 55.95 59.20 2qex s SER 120 Cb 0.12 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 2qex s SER 120 CO 0.70 -0.68 -0.23 -0.22 0.41 0.00 0.00 173.24 173.22 2qex s LEU 121 N -3.51 2.21 -0.54 2.44 2.96 -0.88 -4.80 118.68 116.55 2qex s LEU 121 Ca 0.65 -0.46 -0.20 0.00 -0.22 0.00 0.00 54.13 53.90 2qex s LEU 121 Cb -0.14 -1.42 0.07 0.00 0.50 0.00 0.00 46.19 45.20 2qex s LEU 121 CO 0.20 0.25 0.69 -0.62 -1.32 0.00 0.00 176.35 175.54 2qex s ASP 122 N -0.18 6.22 0.60 3.68 2.15 -1.26 -4.91 116.67 122.97 2qex s ASP 122 Ca -0.03 -0.99 0.30 0.00 0.43 0.00 0.00 52.55 52.26 2qex s ASP 122 Cb -0.14 -2.31 1.69 0.00 -0.30 0.00 0.00 42.92 41.86 2qex s ASP 122 CO 0.04 -1.00 2.09 0.03 -0.17 0.00 0.00 175.17 176.15 2qex h ARG 123 N 9.09 0.00 0.00 4.34 3.08 -1.96 0.10 114.38 129.03 2qex h ARG 123 Ca -0.28 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 2qex h ARG 123 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 2qex h ARG 123 CO 1.02 0.00 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.55 2qex h LEU 124 N 0.00 0.00 0.00 3.04 3.38 -2.06 -3.24 115.31 116.43 2qex h LEU 124 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2qex h LEU 124 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2qex h LEU 124 CO -0.00 0.29 -1.55 -1.20 0.09 0.00 0.00 178.44 176.07 2qex n SER 125 N -3.30 0.41 -4.06 -0.43 7.64 0.27 -4.98 113.62 109.18 2qex n SER 125 Ca 0.01 -0.33 -0.20 0.00 1.01 0.00 0.00 58.87 59.36 2qex n SER 125 Cb 0.54 1.51 -0.15 0.00 -1.01 0.00 0.00 64.21 65.10 2qex n SER 125 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2qex s ASN 126 N -3.99 1.30 0.00 6.43 0.01 -0.70 -5.01 114.94 112.98 2qex s ASN 126 Ca -0.01 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 51.94 2qex s ASN 126 Cb 0.15 -0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.65 2qex s ASN 126 CO 0.88 0.13 0.00 0.00 -1.51 0.00 0.00 177.10 176.61 2qex n ILE 127 N 2.82 0.00 -3.19 0.60 3.06 -1.26 -4.66 119.36 116.73 2qex n ILE 127 Ca -0.14 0.00 -0.46 0.00 -2.50 0.00 0.00 62.75 59.65 2qex n ILE 127 Cb 0.56 0.21 -0.03 0.00 0.54 0.00 0.00 39.64 40.92 2qex n ILE 127 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2qex s LYS 128 N -1.93 3.48 0.13 9.51 1.02 -1.26 -4.95 119.74 125.74 2qex s LYS 128 Ca 0.00 -2.07 -0.25 0.00 0.02 0.00 0.00 55.97 53.67 2qex s LYS 128 Cb 0.00 -4.53 0.07 0.00 -0.52 0.00 0.00 37.83 32.85 2qex s LYS 128 CO 0.00 -1.46 0.95 -0.59 -0.92 0.00 0.00 175.35 173.34 2qex s PHE 129 N 1.28 -0.16 0.03 3.18 -0.12 -1.16 -1.49 117.98 119.55 2qex s PHE 129 Ca 0.20 -0.13 -0.02 0.00 -0.05 0.00 0.00 56.93 56.93 2qex s PHE 129 Cb -0.12 0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 2qex s PHE 129 CO -0.06 -0.79 0.02 0.08 -0.05 0.00 0.00 175.22 174.42 2qex s VAL 130 N -3.26 0.14 -0.05 -2.49 1.01 -0.32 -4.84 120.40 110.58 2qex s VAL 130 Ca 0.11 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 60.82 2qex s VAL 130 Cb -0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 2qex s VAL 130 CO 0.01 -0.64 0.31 -0.89 0.00 0.00 0.00 175.10 173.89 2qex s THR 131 N -2.35 5.22 0.24 3.92 2.01 -1.26 -1.66 115.64 121.76 2qex s THR 131 Ca -0.07 0.60 -0.06 0.00 0.31 0.00 0.00 61.69 62.46 2qex s THR 131 Cb -0.03 -3.59 0.25 0.00 0.01 0.00 0.00 72.50 69.13 2qex s THR 131 CO -0.04 0.59 1.66 -0.07 -0.69 0.00 0.00 174.62 176.07 2qex h LEU 132 N 4.88 -0.17 -1.62 4.42 3.38 -1.55 0.11 115.31 124.75 2qex h LEU 132 Ca -0.53 0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.63 2qex h LEU 132 Cb 1.22 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 2qex h LEU 132 CO 0.61 -0.11 0.28 1.23 0.09 0.00 0.00 178.44 180.54 2qex h GLY 133 N 0.18 0.55 1.77 0.83 0.00 -1.66 -1.44 103.07 103.29 2qex h GLY 133 Ca 0.41 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.42 2qex h GLY 133 CO -0.58 0.18 -0.50 0.83 0.00 0.00 0.00 176.54 176.47 2qex h GLU 134 N 0.50 0.25 -0.17 4.80 5.08 -1.09 -2.21 114.58 121.75 2qex h GLU 134 Ca 0.17 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 2qex h GLU 134 Cb 0.05 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2qex h GLU 134 CO -0.04 0.70 -0.23 0.82 -1.00 0.00 0.00 179.01 179.26 2qex h ILE 135 N 0.20 1.35 -0.94 3.13 2.04 -0.74 -3.08 117.51 119.47 2qex h ILE 135 Ca 0.01 -1.44 0.10 0.00 1.00 0.00 0.00 64.86 64.53 2qex h ILE 135 Cb 0.96 1.89 -0.07 0.00 -0.74 0.00 0.00 36.82 38.86 2qex h ILE 135 CO 0.08 0.43 0.60 0.28 0.00 0.00 0.00 178.15 179.54 2qex h SER 136 N 0.09 0.87 -0.24 1.72 0.02 -1.13 -0.85 113.55 114.03 2qex h SER 136 Ca 0.02 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 2qex h SER 136 Cb 0.80 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2qex h SER 136 CO 0.05 0.50 -0.23 -0.33 -1.14 0.00 0.00 176.83 175.69 2qex h GLU 137 N 0.95 0.70 0.00 3.45 5.08 -1.41 -0.63 114.58 122.72 2qex h GLU 137 Ca 0.44 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 2qex h GLU 137 Cb 0.41 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2qex h GLU 137 CO -0.20 0.87 -0.50 1.15 -1.00 0.00 0.00 179.01 179.33 2qex h THR 138 N 0.62 1.19 0.00 1.13 2.02 -1.16 -2.61 112.91 114.10 2qex h THR 138 Ca 0.09 -1.83 0.00 0.00 0.77 0.00 0.00 66.41 65.44 2qex h THR 138 Cb 0.72 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 2qex h THR 138 CO 0.06 0.49 0.00 0.18 0.37 0.00 0.00 175.52 176.62 2qex n LEU 139 N -3.69 0.36 0.00 2.58 4.77 -0.44 -4.89 117.00 115.69 2qex n LEU 139 Ca -0.01 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 2qex n LEU 139 Cb 0.56 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2qex n LEU 139 CO 0.40 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 2qex n GLY 140 N 0.81 0.92 3.77 -0.72 0.00 -0.98 -5.06 105.19 103.92 2qex n GLY 140 Ca 0.05 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2qex n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qex s ALA 141 N -2.00 2.09 -0.41 4.61 0.00 -0.27 -5.00 121.76 120.78 2qex s ALA 141 Ca 0.00 0.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.81 2qex s ALA 141 Cb 0.00 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.94 2qex s ALA 141 CO 0.00 -1.87 0.46 1.21 0.00 0.00 0.00 175.76 175.57 2qex s ASN 142 N -3.58 6.22 -0.97 0.00 3.04 -1.26 -4.71 114.94 113.68 2qex s ASN 142 Ca 0.61 -0.52 -0.26 0.00 0.04 0.00 0.00 52.86 52.73 2qex s ASN 142 Cb -0.16 -2.24 -0.17 0.00 -1.54 0.00 0.00 41.25 37.14 2qex s ASN 142 CO 0.56 -0.57 2.20 -0.75 -3.04 0.00 0.00 177.10 175.50 2qex s LYS 143 N 2.24 1.50 -0.42 0.43 2.20 -1.26 -4.73 119.74 119.71 2qex s LYS 143 Ca 0.14 -0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.62 2qex s LYS 143 Cb -0.16 -4.93 0.41 0.00 -1.51 0.00 0.00 37.83 31.64 2qex s LYS 143 CO 0.14 -4.89 1.86 -2.37 -0.36 0.00 0.00 175.35 169.74 2qex n THR 144 N 8.79 2.95 -1.41 3.43 5.66 -1.26 -5.23 114.28 127.21 2qex n THR 144 Ca 0.44 -1.89 0.00 0.00 -3.05 0.00 0.00 64.05 59.55 2qex n THR 144 Cb 0.45 -0.94 0.00 0.00 -1.55 0.00 0.00 70.33 68.29 2qex n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35