#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qio n GLU 2 N 0.00 0.01 -0.25 3.17 -0.58 -1.24 -3.53 120.64 118.21 2qio n GLU 2 Ca 0.00 -1.68 0.12 0.00 -0.42 0.00 0.00 57.16 55.18 2qio n GLU 2 Cb 0.00 -0.17 0.39 0.00 -0.57 0.00 0.00 31.44 31.08 2qio n GLU 2 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2qio h LEU 3 N 0.67 0.63 -3.24 -4.62 3.38 -1.86 -2.01 115.31 108.26 2qio h LEU 3 Ca -0.15 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2qio h LEU 3 Cb 1.73 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.39 2qio h LEU 3 CO 0.07 0.33 0.00 0.18 0.09 0.00 0.00 178.44 179.10 2qio n LEU 4 N -4.55 4.02 -4.69 1.67 4.77 -0.28 -4.73 117.00 113.21 2qio n LEU 4 Ca 0.17 -2.84 -0.43 0.00 -0.03 0.00 0.00 56.01 52.87 2qio n LEU 4 Cb 0.46 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 2qio n LEU 4 CO 0.30 0.68 1.00 1.67 -1.33 0.00 0.00 177.39 179.72 2qio n GLN 5 N -0.15 2.18 0.00 3.23 7.27 -0.76 -1.24 117.38 127.91 2qio n GLN 5 Ca 0.21 0.77 0.00 0.00 0.07 0.00 0.00 57.00 58.05 2qio n GLN 5 Cb 0.86 -2.41 0.00 0.00 2.41 0.00 0.00 30.24 31.10 2qio n GLN 5 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2qio n GLY 6 N 1.56 2.53 3.89 1.69 0.00 -1.26 -5.00 105.19 108.59 2qio n GLY 6 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2qio n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qio s LYS 7 N -0.25 3.65 -0.12 1.61 -0.14 -0.37 -4.98 119.74 119.13 2qio s LYS 7 Ca 0.00 -0.03 0.02 0.00 -1.36 0.00 0.00 55.97 54.61 2qio s LYS 7 Cb 0.00 -2.91 0.01 0.00 -1.68 0.00 0.00 37.83 33.25 2qio s LYS 7 CO 0.00 0.51 -0.19 0.99 -0.76 0.00 0.00 175.35 175.91 2qio s THR 8 N -1.55 1.76 0.08 2.17 2.01 -1.26 -0.82 115.64 118.03 2qio s THR 8 Ca 0.37 -0.81 0.10 0.00 0.31 0.00 0.00 61.69 61.67 2qio s THR 8 Cb -0.13 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 2qio s THR 8 CO 0.22 0.49 -0.26 -0.36 -0.69 0.00 0.00 174.62 174.02 2qio s PHE 9 N 0.84 2.33 -0.27 4.92 0.40 -0.24 -0.30 117.98 125.66 2qio s PHE 9 Ca -0.08 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.75 2qio s PHE 9 Cb -0.15 -1.33 -0.05 0.00 0.51 0.00 0.00 43.02 41.99 2qio s PHE 9 CO -0.00 0.23 0.18 0.08 0.70 0.00 0.00 175.22 176.41 2qio s VAL 10 N -0.93 5.31 -0.24 -0.44 1.01 -0.64 -1.20 120.40 123.28 2qio s VAL 10 Ca 0.13 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.21 2qio s VAL 10 Cb -0.10 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2qio s VAL 10 CO 0.04 0.26 0.07 -0.69 0.00 0.00 0.00 175.10 174.78 2qio s VAL 11 N 1.65 4.37 -0.13 2.92 1.01 0.50 -0.20 120.40 130.52 2qio s VAL 11 Ca 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 2qio s VAL 11 Cb -0.16 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 2qio s VAL 11 CO 0.10 0.35 -0.13 -0.04 0.00 0.00 0.00 175.10 175.39 2qio s MET 12 N 1.46 3.40 0.00 2.72 -1.94 -0.09 -2.12 119.30 122.73 2qio s MET 12 Ca 0.06 -0.68 0.00 0.00 -1.71 0.00 0.00 55.69 53.36 2qio s MET 12 Cb -0.15 -2.65 0.00 0.00 2.01 0.00 0.00 34.83 34.04 2qio s MET 12 CO 0.04 0.21 0.00 0.41 -0.01 0.00 0.00 175.02 175.67 2qio n GLY 13 N 3.53 1.26 3.73 -0.03 0.00 -1.23 -1.33 105.19 111.11 2qio n GLY 13 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2qio n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qio s VAL 14 N -2.00 3.56 0.00 1.61 1.01 -1.26 -4.59 120.40 118.72 2qio s VAL 14 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.19 2qio s VAL 14 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2qio s VAL 14 CO 0.00 0.14 0.00 0.00 0.00 0.00 0.00 175.10 175.24 2qio n ALA 15 N 3.22 2.36 -3.66 5.51 0.00 -1.26 -4.80 120.51 121.88 2qio n ALA 15 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 2qio n ALA 15 Cb 0.44 0.45 0.02 0.00 0.00 0.00 0.00 19.45 20.36 2qio n ALA 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2qio n ASN 16 N -2.60 -1.71 -0.27 0.00 0.23 -1.26 -4.64 115.26 105.01 2qio n ASN 16 Ca 0.00 -2.30 0.24 0.00 -0.53 0.00 0.00 54.58 51.99 2qio n ASN 16 Cb 0.45 2.88 0.57 0.00 -2.08 0.00 0.00 39.78 41.61 2qio n ASN 16 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2qio h GLN 17 N 0.00 0.28 -0.01 -3.83 4.15 -1.99 -0.86 115.11 112.85 2qio h GLN 17 Ca -0.26 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.14 2qio h GLN 17 Cb 0.97 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.60 2qio h GLN 17 CO 0.33 0.19 -0.13 0.54 -1.93 0.00 0.00 178.83 177.83 2qio n ARG 18 N -4.48 1.13 -1.73 1.69 1.74 -1.26 -4.78 116.66 108.97 2qio n ARG 18 Ca 0.22 -0.60 -0.38 0.00 -0.77 0.00 0.00 57.85 56.31 2qio n ARG 18 Cb 0.86 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.86 2qio n ARG 18 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2qio n SER 19 N -0.41 2.48 0.10 0.55 7.64 -0.33 -4.66 113.62 119.00 2qio n SER 19 Ca 0.16 0.95 -0.01 0.00 1.01 0.00 0.00 58.87 60.98 2qio n SER 19 Cb 0.33 -1.56 0.27 0.00 -1.01 0.00 0.00 64.21 62.24 2qio n SER 19 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2qio h ILE 20 N 1.27 1.27 0.00 0.44 2.04 -1.89 -1.85 117.51 118.79 2qio h ILE 20 Ca -0.51 -1.32 -0.04 0.00 1.00 0.00 0.00 64.86 63.99 2qio h ILE 20 Cb 1.31 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 2qio h ILE 20 CO 0.56 0.40 -0.19 0.00 0.00 0.00 0.00 178.15 178.92 2qio h ALA 21 N 1.46 1.35 0.00 1.87 0.00 -1.91 -0.78 119.26 121.26 2qio h ALA 21 Ca 0.03 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 2qio h ALA 21 Cb 0.69 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2qio h ALA 21 CO 0.05 0.24 -0.89 2.35 0.00 0.00 0.00 179.25 181.00 2qio h TRP 22 N 0.00 0.38 -0.62 0.00 2.91 -1.63 -0.46 115.95 116.54 2qio h TRP 22 Ca -0.00 -0.21 -0.05 0.00 1.13 0.00 0.00 58.89 59.76 2qio h TRP 22 Cb 0.43 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.01 2qio h TRP 22 CO 0.00 1.02 0.21 0.78 -1.03 0.00 0.00 178.44 179.42 2qio h GLY 23 N 1.67 1.03 1.15 2.65 0.00 -1.03 -1.84 103.07 106.69 2qio h GLY 23 Ca -0.05 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.61 2qio h GLY 23 CO 0.14 0.56 0.15 -2.22 0.00 0.00 0.00 176.54 175.18 2qio h ILE 24 N 0.88 1.26 -0.13 2.60 2.04 -1.01 -2.31 117.51 120.84 2qio h ILE 24 Ca 0.20 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 2qio h ILE 24 Cb 0.27 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2qio h ILE 24 CO -0.01 0.36 0.07 0.00 0.00 0.00 0.00 178.15 178.57 2qio h ALA 25 N 1.16 0.16 -0.37 1.87 0.00 -0.71 0.15 119.26 121.52 2qio h ALA 25 Ca 0.21 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2qio h ALA 25 Cb 0.36 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2qio h ALA 25 CO 0.00 -0.30 0.22 0.00 0.00 0.00 0.00 179.25 179.18 2qio h ARG 26 N 0.10 0.44 -0.48 0.00 3.08 -1.24 0.16 114.38 116.45 2qio h ARG 26 Ca 0.04 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2qio h ARG 26 Cb 0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2qio h ARG 26 CO -0.01 0.29 0.30 0.77 -1.07 0.00 0.00 179.97 180.25 2qio h SER 27 N 0.46 0.49 -0.06 7.04 0.02 -1.17 0.42 113.55 120.74 2qio h SER 27 Ca 0.15 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 2qio h SER 27 Cb -0.01 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2qio h SER 27 CO -0.06 0.35 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.70 2qio h LEU 28 N 0.60 0.46 -0.19 5.07 3.38 -0.30 -2.35 115.31 121.98 2qio h LEU 28 Ca 0.18 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2qio h LEU 28 Cb -0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2qio h LEU 28 CO -0.07 0.69 -0.27 -0.74 0.09 0.00 0.00 178.44 178.14 2qio h HIS 29 N 0.42 0.64 0.00 1.13 2.76 -0.04 -0.85 115.15 119.21 2qio h HIS 29 Ca 0.07 -0.21 -0.00 0.00 -2.20 0.00 0.00 60.37 58.02 2qio h HIS 29 Cb 0.61 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.44 2qio h HIS 29 CO 0.02 0.92 -0.00 -0.91 -1.30 0.00 0.00 177.93 176.65 2qio h ASN 30 N 0.18 0.00 -0.35 3.26 2.35 -0.01 0.12 115.58 121.13 2qio h ASN 30 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2qio h ASN 30 Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 2qio h ASN 30 CO 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.85 2qio n ALA 31 N -2.40 2.45 -0.54 -0.83 0.00 -0.90 -4.55 120.51 113.74 2qio n ALA 31 Ca -0.03 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2qio n ALA 31 Cb 0.09 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2qio n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qio n GLY 32 N 1.10 0.73 3.87 0.00 0.00 0.40 -1.12 105.19 110.17 2qio n GLY 32 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2qio n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qio s ALA 33 N -2.07 3.07 0.06 4.61 0.00 -0.34 -3.98 121.76 123.12 2qio s ALA 33 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.82 2qio s ALA 33 Cb 0.00 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 2qio s ALA 33 CO 0.00 -0.77 0.16 0.15 0.00 0.00 0.00 175.76 175.31 2qio s LYS 34 N -5.20 3.25 0.03 0.00 1.02 -0.00 -4.53 119.74 114.30 2qio s LYS 34 Ca 0.55 -0.52 0.05 0.00 0.02 0.00 0.00 55.97 56.08 2qio s LYS 34 Cb -0.11 -2.94 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 2qio s LYS 34 CO 0.53 0.60 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.90 2qio s LEU 35 N -2.44 2.13 -0.09 3.17 1.43 -1.26 -1.07 118.68 120.55 2qio s LEU 35 Ca 0.33 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 2qio s LEU 35 Cb -0.13 -0.69 -0.01 0.00 0.03 0.00 0.00 46.19 45.39 2qio s LEU 35 CO 0.25 0.09 -0.22 -0.63 0.23 0.00 0.00 176.35 176.07 2qio s ILE 36 N -0.70 2.28 0.04 -0.59 1.01 -0.34 -4.00 121.20 118.90 2qio s ILE 36 Ca 0.03 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.78 2qio s ILE 36 Cb -0.07 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 2qio s ILE 36 CO 0.01 0.56 -0.12 -0.36 0.00 0.00 0.00 174.94 175.03 2qio s PHE 37 N 0.09 2.73 0.02 3.97 0.40 0.40 -0.37 117.98 125.21 2qio s PHE 37 Ca -0.10 -0.15 0.05 0.00 -0.60 0.00 0.00 56.93 56.13 2qio s PHE 37 Cb -0.16 -1.51 -0.02 0.00 0.51 0.00 0.00 43.02 41.84 2qio s PHE 37 CO 0.06 0.34 -0.17 0.95 0.70 0.00 0.00 175.22 177.10 2qio s THR 38 N -1.02 1.32 0.23 0.64 -4.23 -0.90 0.29 115.64 111.97 2qio s THR 38 Ca 0.17 -0.90 0.09 0.00 -1.18 0.00 0.00 61.69 59.87 2qio s THR 38 Cb -0.11 -1.14 -0.05 0.00 1.34 0.00 0.00 72.50 72.54 2qio s THR 38 CO 0.08 0.22 -0.16 -0.72 -0.54 0.00 0.00 174.62 173.51 2qio s TYR 39 N -0.61 1.88 -0.02 3.99 1.13 -0.42 -3.54 117.35 119.77 2qio s TYR 39 Ca 0.05 -0.51 -0.22 0.00 -1.41 0.00 0.00 57.07 54.99 2qio s TYR 39 Cb -0.07 -0.86 -0.14 0.00 -1.10 0.00 0.00 41.96 39.78 2qio s TYR 39 CO 0.00 0.46 0.96 0.00 -2.51 0.00 0.00 175.55 174.47 2qio h ALA 40 N 2.46 -0.49 -2.81 9.51 0.00 -1.87 0.28 119.26 126.35 2qio h ALA 40 Ca -0.39 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.11 2qio h ALA 40 Cb 1.23 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 19.10 2qio h ALA 40 CO 0.62 -0.54 -0.32 0.20 0.00 0.00 0.00 179.25 179.21 2qio s GLY 41 N -2.87 1.32 0.23 0.00 0.00 -1.26 -3.83 107.32 100.91 2qio s GLY 41 Ca -0.12 -1.46 -0.12 0.00 0.00 0.00 0.00 44.72 43.02 2qio s GLY 41 CO 0.43 -1.06 1.42 1.18 0.00 0.00 0.00 173.10 175.06 2qio n GLU 42 N -0.44 -0.15 -0.39 2.90 1.02 -1.26 -0.23 120.64 122.08 2qio n GLU 42 Ca 0.01 1.41 0.35 0.00 -0.02 0.00 0.00 57.16 58.92 2qio n GLU 42 Cb 0.63 -2.10 0.62 0.00 -0.02 0.00 0.00 31.44 30.57 2qio n GLU 42 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qio h ARG 43 N 0.00 0.02 0.00 3.49 2.47 -2.02 0.79 114.38 119.13 2qio h ARG 43 Ca 0.37 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.09 2qio h ARG 43 Cb 0.60 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2qio h ARG 43 CO -0.92 0.02 -0.88 1.28 0.56 0.00 0.00 179.97 180.02 2qio n LEU 44 N -5.02 0.88 -0.24 3.04 4.77 0.68 -4.47 117.00 116.65 2qio n LEU 44 Ca 0.39 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2qio n LEU 44 Cb 1.39 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 42.50 2qio n LEU 44 CO 0.09 0.22 0.72 -0.08 -1.33 0.00 0.00 177.39 177.01 2qio h GLU 45 N 0.00 -0.01 0.90 3.23 4.22 -0.68 -1.45 114.58 120.80 2qio h GLU 45 Ca 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.40 2qio h GLU 45 Cb 0.50 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.76 2qio h GLU 45 CO 0.00 -0.00 -0.47 -0.09 -2.18 0.00 0.00 179.01 176.27 2qio h ARG 46 N -0.01 -1.21 -0.61 1.92 9.65 -1.78 -0.48 114.38 121.87 2qio h ARG 46 Ca 0.33 0.08 0.13 0.00 -1.10 0.00 0.00 59.98 59.42 2qio h ARG 46 Cb 0.51 0.27 -0.11 0.00 -1.39 0.00 0.00 29.97 29.26 2qio h ARG 46 CO -0.72 -0.81 -0.07 -0.91 2.80 0.00 0.00 179.97 180.26 2qio h ASN 47 N -1.25 -0.41 -0.20 -3.80 -0.26 -1.73 0.96 115.58 108.89 2qio h ASN 47 Ca -0.12 0.17 -0.05 0.00 -0.56 0.00 0.00 56.30 55.74 2qio h ASN 47 Cb 0.97 0.32 -0.01 0.00 -1.06 0.00 0.00 38.32 38.55 2qio h ASN 47 CO 0.18 -0.16 -0.06 0.58 -1.06 0.00 0.00 177.43 176.92 2qio h VAL 48 N 0.06 1.29 -0.75 2.81 2.07 -1.23 -1.71 116.25 118.78 2qio h VAL 48 Ca 0.31 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.81 2qio h VAL 48 Cb 0.49 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 2qio h VAL 48 CO -0.57 0.32 0.47 -0.09 0.02 0.00 0.00 177.57 177.72 2qio h ARG 49 N 0.12 0.87 -0.36 1.57 9.65 -0.55 0.66 114.38 126.33 2qio h ARG 49 Ca 0.05 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2qio h ARG 49 Cb 0.51 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 2qio h ARG 49 CO 0.02 0.57 0.14 0.93 2.80 0.00 0.00 179.97 184.43 2qio h GLU 50 N 0.89 0.54 -0.41 0.20 5.08 -0.73 -0.49 114.58 119.67 2qio h GLU 50 Ca 0.31 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2qio h GLU 50 Cb 0.07 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2qio h GLU 50 CO -0.13 0.54 0.14 -0.07 -1.00 0.00 0.00 179.01 178.49 2qio h LEU 51 N 0.43 0.59 -0.15 1.33 3.38 -0.90 -2.89 115.31 117.10 2qio h LEU 51 Ca 0.12 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2qio h LEU 51 Cb 0.20 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2qio h LEU 51 CO -0.01 0.62 -0.01 0.00 0.09 0.00 0.00 178.44 179.13 2qio h ALA 52 N 0.99 0.12 -0.90 1.53 0.00 -0.68 -1.82 119.26 118.50 2qio h ALA 52 Ca 0.14 0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.31 2qio h ALA 52 Cb 0.23 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2qio h ALA 52 CO -0.01 -0.46 0.61 -0.44 0.00 0.00 0.00 179.25 178.95 2qio h ASP 53 N 0.03 0.31 -0.63 0.00 3.32 -0.97 0.26 116.42 118.75 2qio h ASP 53 Ca 0.07 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.24 2qio h ASP 53 Cb 0.10 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 2qio h ASP 53 CO -0.14 0.12 0.42 0.74 -1.72 0.00 0.00 179.24 178.66 2qio h THR 54 N 0.31 0.96 -0.77 0.35 2.02 -1.12 -3.29 112.91 111.37 2qio h THR 54 Ca 0.47 -0.19 -0.54 0.00 0.77 0.00 0.00 66.41 66.91 2qio h THR 54 Cb 1.31 0.36 -0.07 0.00 -1.74 0.00 0.00 68.15 68.02 2qio h THR 54 CO -0.15 0.10 1.70 -0.76 0.37 0.00 0.00 175.52 176.78 2qio s LEU 55 N -9.49 3.53 0.83 2.58 1.43 0.90 -4.94 118.68 113.52 2qio s LEU 55 Ca -0.08 -1.99 -0.14 0.00 -1.03 0.00 0.00 54.13 50.88 2qio s LEU 55 Cb 0.19 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.85 2qio s LEU 55 CO 0.76 -1.87 0.60 -1.84 0.23 0.00 0.00 176.35 174.23 2qio n GLU 56 N 8.45 0.03 0.00 1.70 -0.00 -1.24 -4.44 120.64 125.14 2qio n GLU 56 Ca 0.45 0.06 0.00 0.00 -0.00 0.00 0.00 57.16 57.68 2qio n GLU 56 Cb 0.47 -1.96 0.00 0.00 -0.00 0.00 0.00 31.44 29.95 2qio n GLU 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2qio n GLY 57 N 1.38 1.96 3.08 -1.84 0.00 -1.26 -5.04 105.19 103.46 2qio n GLY 57 Ca 0.09 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 2qio n GLY 57 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qio s GLN 58 N 0.00 1.83 -0.58 1.61 2.00 -1.26 -5.07 119.66 118.19 2qio s GLN 58 Ca 0.00 -0.51 -0.29 0.00 -2.00 0.00 0.00 55.36 52.55 2qio s GLN 58 Cb 0.00 -1.52 -0.12 0.00 0.80 0.00 0.00 33.01 32.18 2qio s GLN 58 CO 0.00 0.11 2.44 -1.91 -0.50 0.00 0.00 175.29 175.43 2qio n GLU 59 N 3.56 0.82 -2.15 1.67 4.07 -1.26 -4.88 120.64 122.47 2qio n GLU 59 Ca -0.21 0.08 -0.40 0.00 -0.06 0.00 0.00 57.16 56.57 2qio n GLU 59 Cb 0.52 -2.72 -0.02 0.00 -0.06 0.00 0.00 31.44 29.17 2qio n GLU 59 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2qio s SER 60 N 10.18 6.64 0.08 4.31 0.01 -1.26 -4.97 113.70 128.69 2qio s SER 60 Ca 1.11 2.60 -0.31 0.00 1.31 0.00 0.00 55.95 60.66 2qio s SER 60 Cb -0.61 -2.64 -0.07 0.00 0.21 0.00 0.00 66.02 62.90 2qio s SER 60 CO 0.37 -0.62 1.43 -0.22 0.41 0.00 0.00 173.24 174.62 2qio s LEU 61 N -2.05 4.36 -0.21 2.44 0.20 -1.26 -4.92 118.68 117.24 2qio s LEU 61 Ca 0.52 2.31 0.01 0.00 0.69 0.00 0.00 54.13 57.66 2qio s LEU 61 Cb -0.37 -3.58 0.05 0.00 -0.43 0.00 0.00 46.19 41.86 2qio s LEU 61 CO 0.49 -0.71 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.08 2qio s VAL 62 N 1.61 1.52 0.11 1.68 1.01 -1.26 -0.46 120.40 124.61 2qio s VAL 62 Ca 0.66 -1.04 0.09 0.00 0.00 0.00 0.00 61.98 61.69 2qio s VAL 62 Cb -0.36 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2qio s VAL 62 CO 0.30 0.06 -0.23 -0.76 0.00 0.00 0.00 175.10 174.46 2qio s LEU 63 N 1.43 2.29 0.24 3.92 1.43 0.15 -4.98 118.68 123.16 2qio s LEU 63 Ca -0.03 -0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 52.08 2qio s LEU 63 Cb -0.17 -1.04 -0.09 0.00 0.03 0.00 0.00 46.19 44.92 2qio s LEU 63 CO -0.07 0.12 0.98 -2.16 0.23 0.00 0.00 176.35 175.44 2qio s PRO 64 N -1.90 4.80 -0.41 1.29 0.04 -1.26 -1.30 135.00 136.26 2qio s PRO 64 Ca 0.10 1.56 0.07 0.00 0.04 0.00 0.00 61.00 62.77 2qio s PRO 64 Cb -0.10 -3.27 0.18 0.00 0.04 0.00 0.00 34.50 31.35 2qio s PRO 64 CO 0.05 0.43 0.59 0.00 0.04 0.00 0.00 177.00 178.11 2qio s ASP 66 N 1.74 6.66 0.00 0.00 -1.08 -1.25 -4.47 116.67 118.27 2qio s ASP 66 Ca 0.17 0.50 0.07 0.00 -0.52 0.00 0.00 52.55 52.76 2qio s ASP 66 Cb -0.06 -2.50 0.31 0.00 -1.46 0.00 0.00 42.92 39.21 2qio s ASP 66 CO -0.06 -1.03 1.16 1.33 0.52 0.00 0.00 175.17 177.09 2qio n VAL 67 N 6.34 1.31 0.23 1.11 0.24 -1.26 -0.91 118.33 125.38 2qio n VAL 67 Ca 0.09 0.33 0.12 0.00 -2.04 0.00 0.00 64.34 62.84 2qio n VAL 67 Cb 0.48 -1.21 0.16 0.00 -1.47 0.00 0.00 33.84 31.80 2qio n VAL 67 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2qio h THR 68 N 0.00 0.00 -3.62 3.34 2.02 -1.92 -3.44 112.91 109.29 2qio h THR 68 Ca 0.00 -0.97 -0.69 0.00 0.77 0.00 0.00 66.41 65.53 2qio h THR 68 Cb 0.10 1.89 -0.26 0.00 -1.74 0.00 0.00 68.15 68.13 2qio h THR 68 CO 0.00 0.00 -0.59 0.21 0.37 0.00 0.00 175.52 175.51 2qio s ASN 69 N -5.97 5.34 0.24 4.18 3.84 -0.09 -5.00 114.94 117.48 2qio s ASN 69 Ca 0.06 -0.84 -0.05 0.00 0.21 0.00 0.00 52.86 52.24 2qio s ASN 69 Cb 0.06 -1.92 0.38 0.00 -0.55 0.00 0.00 41.25 39.22 2qio s ASN 69 CO 0.68 -0.26 1.80 0.44 -2.79 0.00 0.00 177.10 176.98 2qio h ASP 70 N 8.28 0.63 -0.40 -4.21 3.32 -1.85 -2.00 116.42 120.19 2qio h ASP 70 Ca -0.28 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 56.70 2qio h ASP 70 Cb 1.11 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 2qio h ASP 70 CO 0.62 0.36 -0.17 -0.33 -1.72 0.00 0.00 179.24 178.00 2qio h GLU 71 N 0.75 0.88 -0.29 3.56 4.39 -1.94 -1.68 114.58 120.25 2qio h GLU 71 Ca 0.39 -0.34 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 2qio h GLU 71 Cb 0.36 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2qio h GLU 71 CO -0.25 0.98 0.07 0.93 -1.16 0.00 0.00 179.01 179.58 2qio h GLU 72 N 0.77 0.47 -0.18 2.33 5.08 -1.77 0.51 114.58 121.80 2qio h GLU 72 Ca 0.11 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2qio h GLU 72 Cb 0.70 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 2qio h GLU 72 CO 0.05 0.55 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.31 2qio h LEU 73 N 0.31 -0.74 -0.56 1.33 3.38 -1.23 0.44 115.31 118.23 2qio h LEU 73 Ca 0.09 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2qio h LEU 73 Cb 0.30 0.34 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2qio h LEU 73 CO 0.00 -0.28 0.25 0.74 0.09 0.00 0.00 178.44 179.24 2qio h THR 74 N -0.27 1.21 -0.12 0.22 2.02 -1.10 -2.43 112.91 112.43 2qio h THR 74 Ca 0.12 -0.62 0.01 0.00 0.77 0.00 0.00 66.41 66.69 2qio h THR 74 Cb 0.45 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2qio h THR 74 CO -0.34 0.24 0.05 0.00 0.37 0.00 0.00 175.52 175.85 2qio h ALA 75 N 1.09 0.14 -0.29 6.16 0.00 0.83 -0.68 119.26 126.50 2qio h ALA 75 Ca 0.19 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2qio h ALA 75 Cb 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2qio h ALA 75 CO -0.02 -0.39 0.11 0.00 0.00 0.00 0.00 179.25 178.95 2qio h PHE 77 N 0.25 0.00 -0.05 0.00 0.04 -1.34 -1.61 116.94 114.24 2qio h PHE 77 Ca 0.13 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.77 2qio h PHE 77 Cb 0.08 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 2qio h PHE 77 CO -0.12 0.70 -0.57 0.93 -0.60 0.00 0.00 178.31 178.65 2qio h GLU 78 N 0.00 0.16 -0.19 1.51 4.39 -0.93 -1.26 114.58 118.26 2qio h GLU 78 Ca -0.01 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 2qio h GLU 78 Cb 1.32 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2qio h GLU 78 CO 0.09 0.69 -0.10 1.15 -1.16 0.00 0.00 179.01 179.67 2qio h THR 79 N 0.12 1.31 -0.55 1.13 2.02 -0.78 -1.14 112.91 115.03 2qio h THR 79 Ca -0.00 -1.18 0.06 0.00 0.77 0.00 0.00 66.41 66.06 2qio h THR 79 Cb 1.05 1.68 -0.05 0.00 -1.74 0.00 0.00 68.15 69.08 2qio h THR 79 CO 0.08 0.35 0.25 0.40 0.37 0.00 0.00 175.52 176.98 2qio h ILE 80 N 0.09 0.89 0.33 3.11 2.04 -1.16 0.20 117.51 123.01 2qio h ILE 80 Ca 0.04 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2qio h ILE 80 Cb 0.60 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 2qio h ILE 80 CO 0.03 0.09 -0.42 0.50 0.00 0.00 0.00 178.15 178.34 2qio h LYS 81 N 0.47 -0.77 -0.16 2.37 3.64 -1.02 0.76 116.57 121.86 2qio h LYS 81 Ca 0.26 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 2qio h LYS 81 Cb 0.23 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2qio h LYS 81 CO -0.21 -0.51 -0.07 0.37 -2.27 0.00 0.00 179.45 176.76 2qio h GLN 82 N -0.80 0.25 0.15 1.90 4.15 -0.85 0.18 115.11 120.09 2qio h GLN 82 Ca -0.02 -0.05 -0.29 0.00 0.77 0.00 0.00 58.65 59.07 2qio h GLN 82 Cb 0.74 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.39 2qio h GLN 82 CO -0.12 0.33 -1.41 1.49 -1.93 0.00 0.00 178.83 177.19 2qio h GLU 83 N 0.24 0.32 0.00 1.69 4.57 -0.27 -3.42 114.58 117.70 2qio h GLU 83 Ca 0.05 -0.54 -0.05 0.00 -1.18 0.00 0.00 59.36 57.64 2qio h GLU 83 Cb 0.28 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 2qio h GLU 83 CO 0.01 1.26 -1.21 0.28 -1.18 0.00 0.00 179.01 178.17 2qio n VAL 84 N -3.86 0.19 0.00 0.32 0.31 0.26 -5.05 118.33 110.51 2qio n VAL 84 Ca -0.22 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2qio n VAL 84 Cb 0.95 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 2qio n VAL 84 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qio n GLY 85 N 2.77 1.99 2.91 2.92 0.00 0.62 -4.91 105.19 111.50 2qio n GLY 85 Ca -0.05 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 2qio n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qio s THR 86 N 0.00 0.25 0.26 2.61 2.01 -1.26 -4.74 115.64 114.77 2qio s THR 86 Ca 0.00 -0.12 0.07 0.00 0.31 0.00 0.00 61.69 61.95 2qio s THR 86 Cb 0.00 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 72.23 2qio s THR 86 CO 0.00 0.08 -0.08 0.27 -0.69 0.00 0.00 174.62 174.20 2qio s ILE 87 N 0.04 1.68 -0.46 1.82 -4.36 -0.24 -4.77 121.20 114.92 2qio s ILE 87 Ca -0.00 -2.15 0.08 0.00 -0.26 0.00 0.00 60.65 58.32 2qio s ILE 87 Cb -0.03 -2.34 0.22 0.00 1.25 0.00 0.00 42.46 41.56 2qio s ILE 87 CO -0.00 -0.38 1.17 1.41 0.24 0.00 0.00 174.94 177.39 2qio n HIS 88 N -0.53 0.31 0.00 1.37 8.25 0.59 -4.19 115.22 121.02 2qio n HIS 88 Ca -0.06 -0.58 0.00 0.00 -0.26 0.00 0.00 57.72 56.82 2qio n HIS 88 Cb 0.63 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.66 2qio n HIS 88 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qio n GLY 89 N -0.10 0.96 2.97 -1.41 0.00 -1.25 -2.21 105.19 104.15 2qio n GLY 89 Ca 0.09 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 2qio n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qio s VAL 90 N -2.00 -0.03 -0.36 1.61 1.01 -0.99 -1.61 120.40 118.03 2qio s VAL 90 Ca 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 2qio s VAL 90 Cb 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.16 2qio s VAL 90 CO 0.00 0.05 0.18 0.00 0.00 0.00 0.00 175.10 175.33 2qio s ALA 91 N 0.79 3.25 -0.50 5.51 0.00 0.72 -0.70 121.76 130.83 2qio s ALA 91 Ca -0.06 -1.64 -0.18 0.00 0.00 0.00 0.00 51.96 50.07 2qio s ALA 91 Cb -0.08 -2.51 0.06 0.00 0.00 0.00 0.00 23.12 20.60 2qio s ALA 91 CO -0.04 -1.27 0.57 -1.58 0.00 0.00 0.00 175.76 173.44 2qio s HIS 92 N 1.55 3.10 -0.56 0.00 2.46 0.16 -0.92 115.29 121.08 2qio s HIS 92 Ca 0.02 -0.64 0.06 0.00 0.47 0.00 0.00 55.06 54.97 2qio s HIS 92 Cb -0.19 -3.45 0.32 0.00 -0.13 0.00 0.00 32.58 29.13 2qio s HIS 92 CO 0.06 -0.98 0.86 0.00 -2.47 0.00 0.00 174.74 172.22 2qio s ILE 94 N -3.67 1.12 -0.00 0.00 1.01 -1.26 -4.36 121.20 114.04 2qio s ILE 94 Ca 0.45 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 60.27 2qio s ILE 94 Cb 0.26 -0.97 0.07 0.00 0.01 0.00 0.00 42.46 41.83 2qio s ILE 94 CO -0.10 0.33 0.69 0.00 0.00 0.00 0.00 174.94 175.86 2qio s ALA 95 N 0.09 -1.74 -0.15 9.38 0.00 -1.26 -4.52 121.76 123.56 2qio s ALA 95 Ca -0.03 1.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 2qio s ALA 95 Cb -0.10 0.18 0.11 0.00 0.00 0.00 0.00 23.12 23.31 2qio s ALA 95 CO 0.01 -0.47 0.90 0.12 0.00 0.00 0.00 175.76 176.32 2qio s PHE 96 N -1.88 -0.48 0.03 0.00 5.36 -1.26 -4.92 117.98 114.83 2qio s PHE 96 Ca -0.07 0.90 -0.27 0.00 -0.96 0.00 0.00 56.93 56.52 2qio s PHE 96 Cb -0.00 0.42 0.08 0.00 -0.34 0.00 0.00 43.02 43.17 2qio s PHE 96 CO 0.03 -0.40 0.69 0.00 -1.46 0.00 0.00 175.22 174.08 2qio s ALA 97 N -0.90 -1.72 0.24 11.12 0.00 -1.26 -4.07 121.76 125.18 2qio s ALA 97 Ca -0.04 0.97 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 2qio s ALA 97 Cb -0.01 0.35 -0.09 0.00 0.00 0.00 0.00 23.12 23.37 2qio s ALA 97 CO 0.03 -0.56 1.33 -0.80 0.00 0.00 0.00 175.76 175.76 2qio s ASN 98 N -1.95 6.84 0.30 0.00 0.01 -1.26 -4.92 114.94 113.96 2qio s ASN 98 Ca -0.04 2.51 0.05 0.00 -0.71 0.00 0.00 52.86 54.67 2qio s ASN 98 Cb -0.01 -2.62 0.71 0.00 0.41 0.00 0.00 41.25 39.74 2qio s ASN 98 CO -0.02 -0.55 1.79 0.08 -1.51 0.00 0.00 177.10 176.89 2qio h ARG 99 N 4.83 0.78 -0.03 -0.60 0.11 -1.99 -1.50 114.38 115.99 2qio h ARG 99 Ca -0.46 -0.05 0.01 0.00 0.10 0.00 0.00 59.98 59.58 2qio h ARG 99 Cb 1.22 -0.18 -0.00 0.00 1.11 0.00 0.00 29.97 32.12 2qio h ARG 99 CO 0.75 0.52 0.03 -0.44 0.10 0.00 0.00 179.97 180.92 2qio h ASP 100 N 0.80 0.00 1.51 0.08 5.19 -1.95 -0.84 116.42 121.22 2qio h ASP 100 Ca 0.57 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.98 2qio h ASP 100 Cb 0.83 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.34 2qio h ASP 100 CO -0.36 0.00 0.00 0.44 -3.12 0.00 0.00 179.24 176.20 2qio h ASP 101 N 0.00 0.00 -0.64 6.45 3.32 -1.65 -3.25 116.42 120.65 2qio h ASP 101 Ca 0.02 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.67 2qio h ASP 101 Cb 0.07 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.43 2qio h ASP 101 CO -0.00 0.00 0.51 0.18 -1.72 0.00 0.00 179.24 178.21 2qio n LEU 102 N -2.57 6.28 -3.60 1.55 4.77 -0.32 -4.28 117.00 118.83 2qio n LEU 102 Ca 0.04 -3.31 -0.10 0.00 -0.03 0.00 0.00 56.01 52.61 2qio n LEU 102 Cb 0.43 -0.91 -0.03 0.00 -2.33 0.00 0.00 43.42 40.58 2qio n LEU 102 CO 0.30 1.12 0.33 -1.59 -1.33 0.00 0.00 177.39 176.22 2qio s LYS 103 N -2.32 1.33 3.12 3.23 -2.85 -1.23 -4.68 119.74 116.34 2qio s LYS 103 Ca 0.40 -0.69 0.00 0.00 -1.00 0.00 0.00 55.97 54.67 2qio s LYS 103 Cb 0.32 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.64 2qio s LYS 103 CO 0.02 -0.57 0.00 0.41 0.10 0.00 0.00 175.35 175.31 2qio n GLY 104 N -0.35 0.31 3.74 0.59 0.00 -1.26 -4.74 105.19 103.47 2qio n GLY 104 Ca -0.13 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 2qio n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qio s GLU 105 N 0.00 4.38 0.39 1.61 2.02 -1.26 -4.84 118.70 121.01 2qio s GLU 105 Ca 0.00 0.77 0.06 0.00 0.02 0.00 0.00 54.97 55.82 2qio s GLU 105 Cb 0.00 -3.40 0.80 0.00 0.10 0.00 0.00 34.13 31.63 2qio s GLU 105 CO 0.00 0.21 2.05 0.35 0.02 0.00 0.00 175.26 177.89 2qio h PHE 106 N 6.25 0.59 0.00 1.61 3.57 -1.89 -1.69 116.94 125.39 2qio h PHE 106 Ca -0.43 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2qio h PHE 106 Cb 1.20 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.73 2qio h PHE 106 CO 0.65 0.37 0.09 1.55 -2.23 0.00 0.00 178.31 178.74 2qio n VAL 107 N -4.47 1.13 0.78 1.41 3.14 -1.26 -0.93 118.33 118.13 2qio n VAL 107 Ca 0.04 0.67 0.12 0.00 -2.96 0.00 0.00 64.34 62.21 2qio n VAL 107 Cb 0.05 -1.67 0.26 0.00 -1.06 0.00 0.00 33.84 31.42 2qio n VAL 107 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2qio n ASP 108 N -1.98 2.76 -4.76 6.55 8.00 -0.63 -4.96 116.55 121.53 2qio n ASP 108 Ca -0.01 -1.89 -0.41 0.00 0.71 0.00 0.00 54.79 53.19 2qio n ASP 108 Cb 0.11 -0.14 -0.01 0.00 -0.02 0.00 0.00 41.12 41.05 2qio n ASP 108 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qio s THR 109 N -1.71 2.35 0.53 -3.53 2.01 -0.11 -4.97 115.64 110.20 2qio s THR 109 Ca 0.35 0.32 -0.11 0.00 0.31 0.00 0.00 61.69 62.55 2qio s THR 109 Cb 0.21 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 2qio s THR 109 CO 0.30 0.06 0.93 -0.94 -0.69 0.00 0.00 174.62 174.28 2qio s SER 110 N 0.10 6.39 0.23 3.53 1.04 -1.26 -4.89 113.70 118.84 2qio s SER 110 Ca 0.57 1.33 -0.07 0.00 0.48 0.00 0.00 55.95 58.26 2qio s SER 110 Cb -0.44 -2.42 0.34 0.00 0.10 0.00 0.00 66.02 63.60 2qio s SER 110 CO 0.52 -0.66 1.79 -0.09 0.98 0.00 0.00 173.24 175.78 2qio h ARG 111 N 0.39 0.65 -0.35 4.02 2.43 -1.99 -0.27 114.38 119.26 2qio h ARG 111 Ca -0.46 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 58.59 2qio h ARG 111 Cb 1.19 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 2qio h ARG 111 CO 0.62 0.43 -0.10 -0.44 -1.51 0.00 0.00 179.97 178.97 2qio h ASP 112 N 0.67 0.70 -0.73 -3.80 3.32 -1.98 -0.78 116.42 113.81 2qio h ASP 112 Ca 0.36 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 57.04 2qio h ASP 112 Cb 0.34 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 2qio h ASP 112 CO -0.25 0.91 0.48 1.23 -1.72 0.00 0.00 179.24 179.89 2qio h GLY 113 N 0.48 1.03 0.88 2.75 0.00 -1.80 0.35 103.07 106.76 2qio h GLY 113 Ca 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2qio h GLY 113 CO 0.04 0.37 0.04 -2.75 0.00 0.00 0.00 176.54 174.24 2qio h PHE 114 N 0.99 0.15 0.00 5.60 3.04 -0.88 -1.96 116.94 123.88 2qio h PHE 114 Ca 0.27 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.15 2qio h PHE 114 Cb -0.11 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 2qio h PHE 114 CO -0.02 0.24 -0.29 -0.07 -2.02 0.00 0.00 178.31 176.15 2qio h LEU 115 N 0.02 0.00 -0.05 0.59 3.38 -0.98 -2.25 115.31 116.02 2qio h LEU 115 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2qio h LEU 115 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2qio h LEU 115 CO -0.00 0.29 -0.03 0.25 0.09 0.00 0.00 178.44 179.03 2qio h LEU 116 N 0.00 0.12 -0.35 1.67 6.46 -0.71 -1.01 115.31 121.49 2qio h LEU 116 Ca -0.00 -0.44 -0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2qio h LEU 116 Cb 0.75 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 2qio h LEU 116 CO 0.04 0.53 0.20 0.00 -0.62 0.00 0.00 178.44 178.59 2qio h ALA 117 N 0.59 0.45 -0.45 1.25 0.00 -1.20 -1.51 119.26 118.40 2qio h ALA 117 Ca 0.01 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2qio h ALA 117 Cb 0.49 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2qio h ALA 117 CO 0.01 -0.04 0.15 1.96 0.00 0.00 0.00 179.25 181.33 2qio h GLN 118 N 0.45 0.31 0.42 0.00 1.08 -1.41 0.30 115.11 116.26 2qio h GLN 118 Ca 0.13 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2qio h GLN 118 Cb 0.03 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 2qio h GLN 118 CO -0.02 0.20 -0.20 -0.97 -0.95 0.00 0.00 178.83 176.89 2qio h ASN 119 N 0.32 -0.48 -0.03 1.46 -1.24 -0.83 0.28 115.58 115.05 2qio h ASN 119 Ca 0.21 -0.03 -0.15 0.00 0.71 0.00 0.00 56.30 57.04 2qio h ASN 119 Cb 0.21 0.12 0.01 0.00 0.73 0.00 0.00 38.32 39.40 2qio h ASN 119 CO -0.22 -0.27 -0.58 0.40 -1.29 0.00 0.00 177.43 175.47 2qio h ILE 120 N -0.65 1.40 0.00 2.57 2.04 -1.21 -2.08 117.51 119.59 2qio h ILE 120 Ca -0.06 -2.00 0.00 0.00 1.00 0.00 0.00 64.86 63.80 2qio h ILE 120 Cb 0.48 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 2qio h ILE 120 CO 0.09 0.59 -0.56 0.28 0.00 0.00 0.00 178.15 178.55 2qio h SER 121 N -0.03 0.00 0.00 1.72 0.02 -0.49 -3.38 113.55 111.40 2qio h SER 121 Ca -0.06 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2qio h SER 121 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2qio h SER 121 CO 0.12 0.01 -0.48 0.00 -1.14 0.00 0.00 176.83 175.34 2qio n ALA 122 N -2.10 3.00 -0.13 3.77 0.00 0.14 -4.73 120.51 120.46 2qio n ALA 122 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.43 2qio n ALA 122 Cb 0.53 0.30 0.20 0.00 0.00 0.00 0.00 19.45 20.48 2qio n ALA 122 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2qio h PHE 123 N 0.00 0.85 -1.18 0.00 3.57 -0.58 -2.83 116.94 116.77 2qio h PHE 123 Ca 0.00 -0.07 0.34 0.00 3.53 0.00 0.00 57.97 61.76 2qio h PHE 123 Cb 0.48 -0.25 -0.09 0.00 2.79 0.00 0.00 35.95 38.88 2qio h PHE 123 CO 0.00 0.71 0.79 0.66 -2.23 0.00 0.00 178.31 178.23 2qio h SER 124 N 0.80 0.27 -0.59 0.41 4.64 -1.54 0.20 113.55 117.74 2qio h SER 124 Ca 0.18 0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 2qio h SER 124 Cb 0.28 0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 2qio h SER 124 CO -0.00 -0.00 0.28 0.25 -0.87 0.00 0.00 176.83 176.48 2qio h LEU 125 N 0.21 0.78 -0.07 5.97 5.85 -1.80 0.23 115.31 126.48 2qio h LEU 125 Ca 0.66 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 59.23 2qio h LEU 125 Cb 2.04 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.86 2qio h LEU 125 CO -0.25 0.70 -0.01 0.74 -0.34 0.00 0.00 178.44 179.28 2qio h THR 126 N 0.81 1.27 -0.97 1.05 2.02 -0.78 0.29 112.91 116.60 2qio h THR 126 Ca 0.20 -0.86 0.05 0.00 0.77 0.00 0.00 66.41 66.58 2qio h THR 126 Cb 0.13 1.71 -0.06 0.00 -1.74 0.00 0.00 68.15 68.19 2qio h THR 126 CO -0.02 0.24 0.63 0.00 0.37 0.00 0.00 175.52 176.74 2qio h ALA 127 N 0.69 1.41 -0.41 6.16 0.00 -1.16 0.26 119.26 126.21 2qio h ALA 127 Ca 0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2qio h ALA 127 Cb 0.38 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2qio h ALA 127 CO 0.01 0.46 -0.13 0.28 0.00 0.00 0.00 179.25 179.87 2qio h VAL 128 N 1.17 1.28 -0.51 0.00 2.07 -0.81 -2.72 116.25 116.72 2qio h VAL 128 Ca 0.41 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 2qio h VAL 128 Cb 0.11 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2qio h VAL 128 CO -0.15 0.42 0.24 0.00 0.02 0.00 0.00 177.57 178.10 2qio h ALA 129 N 0.84 0.66 -0.94 1.67 0.00 0.29 0.53 119.26 122.30 2qio h ALA 129 Ca 0.10 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.97 2qio h ALA 129 Cb 0.67 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 2qio h ALA 129 CO 0.05 0.23 0.59 -0.09 0.00 0.00 0.00 179.25 180.02 2qio h ARG 130 N 0.68 0.97 0.11 0.00 2.43 -0.45 -0.39 114.38 117.72 2qio h ARG 130 Ca 0.17 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 59.10 2qio h ARG 130 Cb 0.13 -0.22 0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2qio h ARG 130 CO -0.02 0.64 -0.79 0.93 -1.51 0.00 0.00 179.97 179.21 2qio h GLU 131 N 0.99 0.35 -0.57 0.20 4.39 -1.12 -3.33 114.58 115.49 2qio h GLU 131 Ca 0.44 -0.52 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 2qio h GLU 131 Cb 0.33 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 2qio h GLU 131 CO -0.22 1.22 0.34 0.00 -1.16 0.00 0.00 179.01 179.18 2qio h ALA 132 N 0.16 1.53 -0.79 3.43 0.00 0.24 -2.12 119.26 121.70 2qio h ALA 132 Ca -0.13 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 54.89 2qio h ALA 132 Cb 1.58 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 2qio h ALA 132 CO 0.15 0.41 0.53 -0.22 0.00 0.00 0.00 179.25 180.13 2qio h LYS 133 N 0.78 0.33 0.00 0.00 3.64 -1.18 -0.22 116.57 119.92 2qio h LYS 133 Ca 0.21 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2qio h LYS 133 Cb -0.03 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2qio h LYS 133 CO -0.04 0.22 -0.00 0.87 -2.27 0.00 0.00 179.45 178.23 2qio h LYS 134 N 0.34 0.00 -0.04 1.90 1.57 -1.52 -3.24 116.57 115.58 2qio h LYS 134 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2qio h LYS 134 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2qio h LYS 134 CO -0.12 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.09 2qio n VAL 135 N -3.09 0.24 -2.37 0.50 0.24 -0.19 -4.64 118.33 109.02 2qio n VAL 135 Ca 0.01 -0.62 -0.38 0.00 -2.04 0.00 0.00 64.34 61.31 2qio n VAL 135 Cb 0.33 0.95 0.02 0.00 -1.47 0.00 0.00 33.84 33.68 2qio n VAL 135 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2qio n MET 136 N 0.17 4.06 0.31 7.34 2.81 -0.63 -1.08 117.12 130.11 2qio n MET 136 Ca 0.03 -4.23 0.21 0.00 -1.81 0.00 0.00 57.70 51.90 2qio n MET 136 Cb 0.16 -2.36 1.09 0.00 -0.71 0.00 0.00 33.22 31.40 2qio n MET 136 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2qio h THR 137 N 2.22 0.00 -0.31 2.03 1.35 -1.80 -0.61 112.91 115.79 2qio h THR 137 Ca 0.50 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 66.30 2qio h THR 137 Cb 0.26 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 2qio h THR 137 CO 1.23 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.88 2qio n GLU 138 N -2.98 2.27 0.00 4.72 1.02 -1.26 -5.09 120.64 119.32 2qio n GLU 138 Ca -0.02 -2.09 0.00 0.00 -0.02 0.00 0.00 57.16 55.03 2qio n GLU 138 Cb 0.10 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2qio n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qio n GLY 139 N 1.24 -1.99 0.00 0.62 0.00 -0.24 -5.04 105.19 99.78 2qio n GLY 139 Ca 0.16 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2qio n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qio n GLY 140 N -0.02 0.88 3.21 -0.02 0.00 -0.90 -4.58 105.19 103.77 2qio n GLY 140 Ca 0.00 -1.97 -0.25 0.00 0.00 0.00 0.00 46.02 43.80 2qio n GLY 140 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qio s ASN 141 N -4.00 2.26 -0.18 1.61 2.47 -0.94 -1.34 114.94 114.82 2qio s ASN 141 Ca 0.00 -0.43 -0.03 0.00 0.42 0.00 0.00 52.86 52.82 2qio s ASN 141 Cb 0.00 -0.21 -0.01 0.00 -1.45 0.00 0.00 41.25 39.57 2qio s ASN 141 CO 0.00 0.18 -0.07 -0.63 -3.72 0.00 0.00 177.10 172.86 2qio s ILE 142 N -0.64 3.29 0.09 -5.21 1.01 0.17 -2.35 121.20 117.56 2qio s ILE 142 Ca 0.07 -0.54 0.09 0.00 0.00 0.00 0.00 60.65 60.26 2qio s ILE 142 Cb -0.08 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 2qio s ILE 142 CO 0.01 0.47 -0.19 -0.22 0.00 0.00 0.00 174.94 175.00 2qio s LEU 143 N 0.98 2.62 0.13 2.97 2.96 0.12 -0.80 118.68 127.67 2qio s LEU 143 Ca -0.01 -0.54 -0.00 0.00 -0.22 0.00 0.00 54.13 53.36 2qio s LEU 143 Cb -0.15 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 2qio s LEU 143 CO -0.00 0.20 0.03 0.28 -1.32 0.00 0.00 176.35 175.54 2qio s THR 144 N -1.06 0.30 -0.15 3.68 -1.32 -0.65 0.36 115.64 116.80 2qio s THR 144 Ca 0.16 -1.92 0.00 0.00 -1.21 0.00 0.00 61.69 58.73 2qio s THR 144 Cb -0.10 -1.98 -0.00 0.00 -1.51 0.00 0.00 72.50 68.90 2qio s THR 144 CO 0.08 -0.55 -0.15 -0.76 -2.21 0.00 0.00 174.62 171.03 2qio s LEU 145 N -3.07 2.53 0.00 9.08 1.43 -1.11 -1.72 118.68 125.83 2qio s LEU 145 Ca 0.21 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 2qio s LEU 145 Cb 0.07 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.72 2qio s LEU 145 CO 0.01 0.10 0.00 1.07 0.23 0.00 0.00 176.35 177.76 2qio n THR 146 N 3.98 0.00 -3.78 5.49 5.66 0.16 -4.91 114.28 120.89 2qio n THR 146 Ca -0.19 -0.50 -0.11 0.00 -3.05 0.00 0.00 64.05 60.20 2qio n THR 146 Cb 0.52 0.11 -0.07 0.00 -1.55 0.00 0.00 70.33 69.33 2qio n THR 146 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 2qio s TYR 147 N -1.45 -0.05 0.51 1.09 5.04 -1.26 -2.38 117.35 118.86 2qio s TYR 147 Ca 0.01 -0.13 0.31 0.00 -2.44 0.00 0.00 57.07 54.82 2qio s TYR 147 Cb 0.00 0.06 1.44 0.00 0.35 0.00 0.00 41.96 43.81 2qio s TYR 147 CO 0.00 -0.49 1.82 1.25 -1.34 0.00 0.00 175.55 176.80 2qio h LEU 148 N 3.23 0.09 -0.66 6.97 5.85 -1.91 0.75 115.31 129.63 2qio h LEU 148 Ca -0.32 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2qio h LEU 148 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2qio h LEU 148 CO 0.47 0.02 0.04 0.61 -0.34 0.00 0.00 178.44 179.24 2qio n GLY 149 N -1.69 -0.64 0.10 3.75 0.00 -1.25 -0.96 105.19 104.49 2qio n GLY 149 Ca 0.23 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.46 2qio n GLY 149 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qio h GLY 150 N 0.00 0.00 0.00 -0.02 0.00 -0.97 -3.38 103.07 98.70 2qio h GLY 150 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 2qio h GLY 150 CO 0.00 0.00 -2.35 1.18 0.00 0.00 0.00 176.54 175.37 2qio n GLU 151 N -2.42 0.62 -4.11 4.80 1.02 -0.14 -3.88 120.64 116.53 2qio n GLU 151 Ca 0.02 0.13 -0.11 0.00 -0.02 0.00 0.00 57.16 57.19 2qio n GLU 151 Cb 0.49 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.33 2qio n GLU 151 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2qio s ARG 152 N -2.48 0.67 -0.15 3.49 0.52 -0.42 -5.11 118.95 115.48 2qio s ARG 152 Ca -0.31 -1.10 -0.29 0.00 -0.52 0.00 0.00 55.73 53.51 2qio s ARG 152 Cb 0.08 -0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.37 2qio s ARG 152 CO 0.56 -0.02 1.76 0.08 0.02 0.00 0.00 175.30 177.71 2qio s VAL 153 N -2.87 3.48 -0.17 3.52 1.01 -1.26 -3.96 120.40 120.15 2qio s VAL 153 Ca 0.03 0.55 -0.02 0.00 0.00 0.00 0.00 61.98 62.54 2qio s VAL 153 Cb 0.00 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 2qio s VAL 153 CO -0.04 -0.16 -0.09 -0.69 0.00 0.00 0.00 175.10 174.12 2qio s VAL 154 N 5.28 3.22 0.01 2.92 1.01 -1.26 -5.01 120.40 126.56 2qio s VAL 154 Ca 0.78 -0.58 -0.37 0.00 0.00 0.00 0.00 61.98 61.81 2qio s VAL 154 Cb -0.30 -2.40 -0.17 0.00 0.00 0.00 0.00 36.38 33.51 2qio s VAL 154 CO 0.32 0.49 1.42 1.17 0.00 0.00 0.00 175.10 178.49 2qio n LYS 155 N 4.01 1.13 -0.33 2.72 4.81 -1.26 -1.20 118.16 128.04 2qio n LYS 155 Ca -0.18 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 2qio n LYS 155 Cb 0.52 -2.06 0.00 0.00 0.02 0.00 0.00 35.03 33.51 2qio n LYS 155 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2qio n ASN 156 N 3.06 0.00 0.18 3.14 3.02 -1.26 -4.82 115.26 118.58 2qio n ASN 156 Ca 0.20 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.80 2qio n ASN 156 Cb 0.18 -0.65 0.32 0.00 -0.61 0.00 0.00 39.78 39.02 2qio n ASN 156 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2qio h TYR 157 N 0.00 0.00 0.00 3.10 3.20 -1.43 -3.34 116.97 118.50 2qio h TYR 157 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2qio h TYR 157 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2qio h TYR 157 CO 0.00 0.40 0.00 0.09 -1.64 0.00 0.00 178.16 177.01 2qio n ASN 158 N -3.57 0.00 0.30 -2.11 3.02 -1.26 0.02 115.26 111.66 2qio n ASN 158 Ca -0.00 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.71 2qio n ASN 158 Cb 0.52 0.00 0.91 0.00 -0.61 0.00 0.00 39.78 40.60 2qio n ASN 158 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2qio h VAL 159 N 0.00 0.34 -0.01 2.41 3.04 -1.87 0.02 116.25 120.18 2qio h VAL 159 Ca 0.00 -0.25 -0.15 0.00 -1.01 0.00 0.00 66.70 65.30 2qio h VAL 159 Cb 0.00 1.18 -0.02 0.00 -2.01 0.00 0.00 31.29 30.44 2qio h VAL 159 CO 0.00 0.04 -0.69 -0.03 -1.01 0.00 0.00 177.57 175.88 2qio h MET 160 N 0.00 0.04 -0.65 4.17 1.85 -0.76 -2.09 114.93 117.49 2qio h MET 160 Ca -0.00 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.05 2qio h MET 160 Cb 0.17 0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.18 2qio h MET 160 CO 0.01 0.71 0.38 0.78 -0.40 0.00 0.00 176.91 178.39 2qio h GLY 161 N 1.98 0.95 1.58 1.39 0.00 -0.78 0.96 103.07 109.15 2qio h GLY 161 Ca -0.01 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 2qio h GLY 161 CO 0.09 0.39 -0.39 -2.08 0.00 0.00 0.00 176.54 174.55 2qio h VAL 162 N 0.89 1.30 -0.30 4.60 2.07 -1.42 -0.42 116.25 122.97 2qio h VAL 162 Ca 0.23 -1.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 2qio h VAL 162 Cb -0.01 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2qio h VAL 162 CO -0.04 0.48 0.00 0.00 0.02 0.00 0.00 177.57 178.03 2qio h ALA 163 N 1.19 0.40 -0.39 1.67 0.00 -0.92 -1.79 119.26 119.42 2qio h ALA 163 Ca 0.04 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2qio h ALA 163 Cb 0.86 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2qio h ALA 163 CO 0.07 0.14 -0.05 0.87 0.00 0.00 0.00 179.25 180.29 2qio h LYS 164 N 0.32 0.65 -0.34 0.00 1.79 -0.57 0.23 116.57 118.64 2qio h LYS 164 Ca 0.08 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 2qio h LYS 164 Cb 0.43 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 2qio h LYS 164 CO 0.01 0.70 0.14 0.00 -1.08 0.00 0.00 179.45 179.22 2qio h ALA 165 N 1.35 0.44 -0.97 3.86 0.00 -0.95 0.99 119.26 123.98 2qio h ALA 165 Ca 0.12 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2qio h ALA 165 Cb 0.45 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2qio h ALA 165 CO 0.02 0.04 0.63 1.03 0.00 0.00 0.00 179.25 180.97 2qio h SER 166 N 0.40 0.98 -0.44 0.00 0.87 -0.52 -0.64 113.55 114.20 2qio h SER 166 Ca 0.11 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 2qio h SER 166 Cb 0.18 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2qio h SER 166 CO -0.01 0.62 -0.03 0.25 -0.53 0.00 0.00 176.83 177.13 2qio h LEU 167 N 1.11 0.78 -0.87 2.23 5.85 0.13 -1.71 115.31 122.83 2qio h LEU 167 Ca 0.42 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 2qio h LEU 167 Cb 0.21 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2qio h LEU 167 CO -0.17 0.92 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.47 2qio h GLU 168 N 0.63 0.79 -0.23 1.25 5.08 -0.20 -0.64 114.58 121.25 2qio h GLU 168 Ca 0.12 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 58.10 2qio h GLU 168 Cb 0.53 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2qio h GLU 168 CO 0.03 0.83 -0.45 0.00 -1.00 0.00 0.00 179.01 178.41 2qio h ALA 169 N 1.22 0.77 -0.59 3.43 0.00 -1.05 -2.82 119.26 120.21 2qio h ALA 169 Ca 0.13 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2qio h ALA 169 Cb 0.52 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2qio h ALA 169 CO 0.03 0.66 0.28 0.77 0.00 0.00 0.00 179.25 180.99 2qio h SER 170 N 0.48 0.75 -0.91 0.00 0.02 -0.84 -1.08 113.55 111.99 2qio h SER 170 Ca 0.03 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2qio h SER 170 Cb 0.98 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 2qio h SER 170 CO 0.09 0.65 0.55 0.58 -1.14 0.00 0.00 176.83 177.56 2qio h VAL 171 N 0.84 1.25 -0.06 2.27 2.07 -0.88 0.23 116.25 121.96 2qio h VAL 171 Ca 0.21 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 2qio h VAL 171 Cb 0.09 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2qio h VAL 171 CO -0.03 0.26 -0.21 0.11 0.02 0.00 0.00 177.57 177.72 2qio h LYS 172 N 1.25 0.25 -0.48 1.57 1.57 -1.09 -0.69 116.57 118.95 2qio h LYS 172 Ca 0.33 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 2qio h LYS 172 Cb -0.06 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2qio h LYS 172 CO -0.06 0.82 0.09 1.88 -0.57 0.00 0.00 179.45 181.61 2qio h TYR 173 N -0.27 0.76 -0.28 -1.35 0.05 -1.12 -0.97 116.97 113.79 2qio h TYR 173 Ca -0.01 -0.07 -0.17 0.00 0.05 0.00 0.00 58.73 58.53 2qio h TYR 173 Cb 0.85 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.36 2qio h TYR 173 CO 0.13 0.66 -0.49 -0.07 -1.05 0.00 0.00 178.16 177.34 2qio h LEU 174 N 0.71 0.91 -0.95 3.88 3.38 -0.96 -1.45 115.31 120.83 2qio h LEU 174 Ca 0.16 -0.53 0.01 0.00 0.09 0.00 0.00 57.88 57.61 2qio h LEU 174 Cb 0.31 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2qio h LEU 174 CO 0.00 1.27 0.63 0.00 0.09 0.00 0.00 178.44 180.43 2qio h ALA 175 N 0.67 1.21 -0.05 1.53 0.00 -0.79 0.13 119.26 121.96 2qio h ALA 175 Ca 0.02 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2qio h ALA 175 Cb 1.10 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2qio h ALA 175 CO 0.11 0.59 -0.30 -0.97 0.00 0.00 0.00 179.25 178.68 2qio h ASN 176 N 1.28 0.08 0.09 0.00 -1.24 -1.00 -2.12 115.58 112.67 2qio h ASN 176 Ca 0.35 -0.02 -0.21 0.00 0.71 0.00 0.00 56.30 57.13 2qio h ASN 176 Cb -0.13 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 38.90 2qio h ASN 176 CO -0.08 0.38 -1.05 0.44 -1.29 0.00 0.00 177.43 175.83 2qio h ASP 177 N 0.07 0.30 0.69 1.15 3.32 -0.40 -3.40 116.42 118.15 2qio h ASP 177 Ca 0.01 -0.85 0.00 0.00 0.02 0.00 0.00 57.03 56.21 2qio h ASP 177 Cb 0.57 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2qio h ASP 177 CO 0.04 1.46 -0.22 0.18 -1.72 0.00 0.00 179.24 178.98 2qio n LEU 178 N -4.13 0.28 -0.32 1.55 4.77 0.36 -4.17 117.00 115.34 2qio n LEU 178 Ca -0.21 0.21 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2qio n LEU 178 Cb 0.79 -0.34 0.11 0.00 -2.33 0.00 0.00 43.42 41.65 2qio n LEU 178 CO 0.39 0.07 1.18 1.23 -1.33 0.00 0.00 177.39 178.92 2qio h GLY 179 N 4.99 1.31 2.00 -0.72 0.00 -1.09 0.54 103.07 110.10 2qio h GLY 179 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2qio h GLY 179 CO 0.00 0.57 0.00 0.61 0.00 0.00 0.00 176.54 177.72 2qio n GLN 180 N -4.33 0.10 -0.35 4.80 10.64 -1.26 -1.15 117.38 125.83 2qio n GLN 180 Ca 0.09 0.37 0.11 0.00 -1.83 0.00 0.00 57.00 55.74 2qio n GLN 180 Cb 0.10 -1.71 0.30 0.00 -0.86 0.00 0.00 30.24 28.07 2qio n GLN 180 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2qio n HIS 181 N -1.90 0.92 -0.84 2.61 8.25 -0.55 -4.92 115.22 118.79 2qio n HIS 181 Ca 0.02 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 2qio n HIS 181 Cb 0.18 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 2qio n HIS 181 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qio n GLY 182 N 1.51 0.55 3.37 -1.41 0.00 -0.30 -4.58 105.19 104.33 2qio n GLY 182 Ca 0.23 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2qio n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qio s ILE 183 N -2.00 3.37 0.06 -0.61 1.01 0.07 -2.12 121.20 120.98 2qio s ILE 183 Ca 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 2qio s ILE 183 Cb 0.00 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 2qio s ILE 183 CO 0.00 0.47 0.32 -0.13 0.00 0.00 0.00 174.94 175.60 2qio s ARG 184 N 0.87 3.61 -0.09 2.79 0.52 -0.45 -2.55 118.95 123.66 2qio s ARG 184 Ca -0.02 -0.06 0.01 0.00 -0.52 0.00 0.00 55.73 55.14 2qio s ARG 184 Cb -0.15 -3.00 0.02 0.00 0.52 0.00 0.00 34.95 32.34 2qio s ARG 184 CO 0.01 0.58 -0.10 0.08 0.02 0.00 0.00 175.30 175.89 2qio s VAL 185 N -1.43 1.04 0.19 3.52 1.01 -1.26 -0.66 120.40 122.81 2qio s VAL 185 Ca 0.33 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 2qio s VAL 185 Cb -0.13 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 2qio s VAL 185 CO 0.20 0.35 0.17 0.20 0.00 0.00 0.00 175.10 176.02 2qio s ASN 186 N 1.15 0.15 0.07 3.32 0.01 0.02 0.20 114.94 119.87 2qio s ASN 186 Ca -0.06 -1.25 0.03 0.00 -0.71 0.00 0.00 52.86 50.88 2qio s ASN 186 Cb -0.14 0.39 -0.03 0.00 0.41 0.00 0.00 41.25 41.88 2qio s ASN 186 CO -0.02 -0.86 -0.10 0.00 -1.51 0.00 0.00 177.10 174.61 2qio s ALA 187 N -4.10 0.91 -0.13 0.60 0.00 0.57 -1.63 121.76 117.98 2qio s ALA 187 Ca 0.32 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.31 2qio s ALA 187 Cb 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 2qio s ALA 187 CO 0.08 0.01 -0.17 0.42 0.00 0.00 0.00 175.76 176.10 2qio s ILE 188 N -1.78 2.57 -0.71 0.00 1.01 -0.70 -0.68 121.20 120.91 2qio s ILE 188 Ca -0.02 -0.82 -0.16 0.00 0.00 0.00 0.00 60.65 59.65 2qio s ILE 188 Cb -0.07 -2.06 0.17 0.00 0.01 0.00 0.00 42.46 40.51 2qio s ILE 188 CO 0.01 0.53 0.70 -0.55 0.00 0.00 0.00 174.94 175.62 2qio s SER 189 N 0.56 6.49 0.29 3.58 0.15 0.81 -0.66 113.70 124.91 2qio s SER 189 Ca -0.11 -2.19 -0.24 0.00 0.70 0.00 0.00 55.95 54.12 2qio s SER 189 Cb -0.16 -2.23 -0.09 0.00 -1.71 0.00 0.00 66.02 61.82 2qio s SER 189 CO 0.04 -0.77 0.87 0.00 1.20 0.00 0.00 173.24 174.58 2qio s ALA 190 N 1.14 3.27 0.78 5.45 0.00 -1.00 -1.14 121.76 130.26 2qio s ALA 190 Ca 0.13 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.38 2qio s ALA 190 Cb -0.18 -3.06 0.06 0.00 0.00 0.00 0.00 23.12 19.93 2qio s ALA 190 CO -0.03 0.22 1.13 0.20 0.00 0.00 0.00 175.76 177.28 2qio s GLY 191 N -1.64 1.61 0.05 0.00 0.00 -0.41 -4.64 107.32 102.30 2qio s GLY 191 Ca 0.48 -0.44 -0.35 0.00 0.00 0.00 0.00 44.72 44.41 2qio s GLY 191 CO 0.23 0.00 1.62 -1.05 0.00 0.00 0.00 173.10 173.90 2qio n PRO 192 N -3.26 1.90 -4.15 2.90 -0.02 -1.26 -4.81 135.00 126.30 2qio n PRO 192 Ca 0.07 0.69 -0.16 0.00 -2.02 0.00 0.00 63.50 62.08 2qio n PRO 192 Cb 0.58 -2.45 -0.15 0.00 -0.02 0.00 0.00 33.50 31.47 2qio n PRO 192 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qio s ILE 193 N 1.80 0.42 -0.72 4.25 1.01 -1.26 -4.26 121.20 122.44 2qio s ILE 193 Ca 0.85 -0.20 -0.26 0.00 0.00 0.00 0.00 60.65 61.04 2qio s ILE 193 Cb -0.76 -0.37 -0.06 0.00 0.01 0.00 0.00 42.46 41.27 2qio s ILE 193 CO 0.45 0.13 2.11 -0.60 0.00 0.00 0.00 174.94 177.03 2qio s ARG 194 N 0.06 2.27 0.47 2.79 6.06 -1.26 -4.79 118.95 124.55 2qio s ARG 194 Ca -0.00 0.44 0.02 0.00 -2.50 0.00 0.00 55.73 53.69 2qio s ARG 194 Cb -0.04 -4.73 -0.02 0.00 0.06 0.00 0.00 34.95 30.22 2qio s ARG 194 CO -0.00 -3.44 0.05 0.95 -2.50 0.00 0.00 175.30 170.36 2qio s THR 195 N 11.29 1.01 0.11 4.11 -4.23 -1.26 -4.91 115.64 121.76 2qio s THR 195 Ca 0.79 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 59.02 2qio s THR 195 Cb -0.12 -2.26 -0.08 0.00 1.34 0.00 0.00 72.50 71.38 2qio s THR 195 CO 0.12 0.00 1.62 0.25 -0.54 0.00 0.00 174.62 176.06 2qio h LEU 196 N 1.52 -0.93 -0.28 4.79 6.46 -1.92 -2.30 115.31 122.65 2qio h LEU 196 Ca -0.41 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 2qio h LEU 196 Cb 1.30 0.36 0.00 0.00 -0.73 0.00 0.00 40.66 41.58 2qio h LEU 196 CO 0.69 -0.41 0.00 -1.54 -0.62 0.00 0.00 178.44 176.56 2qio n SER 197 N -5.42 0.42 0.13 1.25 3.41 -1.26 -3.17 113.62 108.97 2qio n SER 197 Ca -0.07 -1.95 0.13 0.00 -0.26 0.00 0.00 58.87 56.72 2qio n SER 197 Cb 0.33 -0.05 0.33 0.00 -0.26 0.00 0.00 64.21 64.56 2qio n SER 197 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qio h ALA 198 N 3.20 0.97 0.00 7.33 0.00 -1.72 -3.12 119.26 125.91 2qio h ALA 198 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2qio h ALA 198 Cb 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qio h ALA 198 CO 0.00 0.00 -0.03 0.87 0.00 0.00 0.00 179.25 180.09 2qio h LYS 199 N 0.00 0.00 0.00 0.00 1.57 -1.66 -1.86 116.57 114.62 2qio h LYS 199 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qio h LYS 199 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2qio h LYS 199 CO 0.00 0.03 0.00 0.78 -0.57 0.00 0.00 179.45 179.69 2qio h GLY 200 N 0.83 0.00 -4.41 3.86 0.00 -1.81 -3.45 103.07 98.09 2qio h GLY 200 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2qio h GLY 200 CO 0.00 0.00 -0.08 0.14 0.00 0.00 0.00 176.54 176.61 2qio s VAL 201 N -3.21 4.83 0.77 4.60 1.01 -0.70 -4.90 120.40 122.80 2qio s VAL 201 Ca 0.08 0.97 -0.11 0.00 0.00 0.00 0.00 61.98 62.92 2qio s VAL 201 Cb 0.11 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 2qio s VAL 201 CO 0.53 0.39 -0.39 0.61 0.00 0.00 0.00 175.10 176.25 2qio n GLY 202 N 1.25 -1.92 1.09 4.51 0.00 -1.26 -4.18 105.19 104.67 2qio n GLY 202 Ca -0.08 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 2qio n GLY 202 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qio n ASP 203 N 2.12 -0.39 -0.06 1.61 4.64 -1.26 -4.74 116.55 118.48 2qio n ASP 203 Ca 0.01 -0.14 -0.05 0.00 -1.38 0.00 0.00 54.79 53.22 2qio n ASP 203 Cb 0.31 -0.18 0.15 0.00 -1.04 0.00 0.00 41.12 40.36 2qio n ASP 203 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 2qio h PHE 204 N 3.45 0.75 -0.56 -0.67 3.57 -1.91 -1.95 116.94 119.63 2qio h PHE 204 Ca 0.01 -0.15 -0.06 0.00 3.53 0.00 0.00 57.97 61.30 2qio h PHE 204 Cb 0.36 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2qio h PHE 204 CO 0.42 0.81 0.09 -0.91 -2.23 0.00 0.00 178.31 176.49 2qio h ASN 205 N 0.60 0.84 0.66 0.41 2.35 -1.96 0.26 115.58 118.74 2qio h ASN 205 Ca 0.10 -0.18 -0.16 0.00 -0.55 0.00 0.00 56.30 55.51 2qio h ASN 205 Cb 0.64 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 2qio h ASN 205 CO 0.05 0.85 -0.72 0.77 -1.65 0.00 0.00 177.43 176.73 2qio h SER 206 N 0.85 0.06 -0.32 5.81 4.64 -1.88 -0.49 113.55 122.22 2qio h SER 206 Ca 0.18 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 2qio h SER 206 Cb 0.37 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2qio h SER 206 CO 0.01 0.76 0.16 0.40 -0.87 0.00 0.00 176.83 177.29 2qio h ILE 207 N 0.03 1.15 -0.61 0.95 2.04 -0.70 -0.80 117.51 119.57 2qio h ILE 207 Ca -0.01 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 2qio h ILE 207 Cb 1.27 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2qio h ILE 207 CO 0.10 0.15 0.08 -0.07 0.00 0.00 0.00 178.15 178.41 2qio h LEU 208 N 0.38 0.96 -0.90 1.44 3.38 -0.74 -2.19 115.31 117.64 2qio h LEU 208 Ca 0.11 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2qio h LEU 208 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2qio h LEU 208 CO -0.02 0.97 -0.12 0.03 0.09 0.00 0.00 178.44 179.39 2qio h ARG 209 N 0.94 0.67 -0.16 1.13 3.08 -0.89 -1.06 114.38 118.09 2qio h ARG 209 Ca 0.19 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2qio h ARG 209 Cb 0.44 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2qio h ARG 209 CO 0.01 0.77 0.08 1.49 -1.07 0.00 0.00 179.97 181.25 2qio h GLU 210 N 0.61 0.23 -0.68 0.04 4.57 -0.75 -1.95 114.58 116.66 2qio h GLU 210 Ca 0.11 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2qio h GLU 210 Cb 0.56 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 2qio h GLU 210 CO 0.04 0.28 0.41 0.82 -1.18 0.00 0.00 179.01 179.37 2qio h ILE 211 N 0.13 1.20 -0.32 2.32 2.04 -1.16 0.99 117.51 122.71 2qio h ILE 211 Ca 0.06 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.51 2qio h ILE 211 Cb 0.12 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 2qio h ILE 211 CO -0.01 0.20 0.21 -0.33 0.00 0.00 0.00 178.15 178.23 2qio h GLU 212 N 0.92 0.30 0.13 2.37 5.08 -0.89 0.36 114.58 122.86 2qio h GLU 212 Ca 0.24 -0.02 -0.35 0.00 -1.00 0.00 0.00 59.36 58.24 2qio h GLU 212 Cb -0.03 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2qio h GLU 212 CO -0.05 0.20 -1.83 0.93 -1.00 0.00 0.00 179.01 177.27 2qio h GLU 213 N 0.31 0.28 0.05 2.33 5.08 -0.67 -3.35 114.58 118.60 2qio h GLU 213 Ca 0.13 -0.47 -0.36 0.00 -1.00 0.00 0.00 59.36 57.66 2qio h GLU 213 Cb 0.13 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 2qio h GLU 213 CO -0.03 1.16 -2.13 0.54 -1.00 0.00 0.00 179.01 177.56 2qio n ARG 214 N -3.47 0.69 -1.64 2.33 5.12 0.28 -4.91 116.66 115.07 2qio n ARG 214 Ca -0.26 0.20 -0.45 0.00 -1.93 0.00 0.00 57.85 55.41 2qio n ARG 214 Cb 1.06 -1.65 -0.02 0.00 -1.16 0.00 0.00 32.46 30.69 2qio n ARG 214 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qio n ALA 215 N -2.94 0.46 -0.28 7.54 0.00 0.10 -4.86 120.51 120.54 2qio n ALA 215 Ca -0.33 0.40 0.09 0.00 0.00 0.00 0.00 53.44 53.60 2qio n ALA 215 Cb 1.05 -2.15 0.22 0.00 0.00 0.00 0.00 19.45 18.57 2qio n ALA 215 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2qio h PRO 216 N 2.97 0.15 -0.01 0.00 0.11 -1.75 0.37 132.00 133.84 2qio h PRO 216 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2qio h PRO 216 Cb 1.31 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2qio h PRO 216 CO 0.67 0.10 0.00 1.28 -0.21 0.00 0.00 178.00 179.84 2qio n LEU 217 N -5.29 0.26 -3.04 2.35 4.77 -0.94 -4.91 117.00 110.20 2qio n LEU 217 Ca 0.17 -0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 2qio n LEU 217 Cb 0.57 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.67 2qio n LEU 217 CO 0.05 0.05 -0.06 0.54 -1.33 0.00 0.00 177.39 176.64 2qio n ARG 218 N -0.77 -3.57 -3.54 3.23 5.12 0.13 -4.94 116.66 112.32 2qio n ARG 218 Ca 0.22 0.66 -0.14 0.00 -1.93 0.00 0.00 57.85 56.65 2qio n ARG 218 Cb 0.15 -5.39 -0.05 0.00 -1.16 0.00 0.00 32.46 26.01 2qio n ARG 218 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2qio s ARG 219 N -5.69 1.08 0.67 5.56 1.70 -1.26 -4.78 118.95 116.24 2qio s ARG 219 Ca 0.28 -0.23 -0.07 0.00 -0.47 0.00 0.00 55.73 55.24 2qio s ARG 219 Cb -0.14 0.49 0.04 0.00 -0.57 0.00 0.00 34.95 34.78 2qio s ARG 219 CO 0.34 -0.40 1.00 0.95 -1.08 0.00 0.00 175.30 176.11 2qio s THR 220 N -2.55 2.82 0.68 4.99 -4.23 -1.26 -4.68 115.64 111.40 2qio s THR 220 Ca -0.05 -0.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.29 2qio s THR 220 Cb -0.01 -3.19 0.04 0.00 1.34 0.00 0.00 72.50 70.68 2qio s THR 220 CO -0.02 -0.21 1.01 -0.89 -0.54 0.00 0.00 174.62 173.97 2qio s THR 221 N -3.20 2.96 0.30 3.99 2.01 -1.26 -4.95 115.64 115.49 2qio s THR 221 Ca 0.58 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.62 2qio s THR 221 Cb -0.11 -3.25 -0.06 0.00 0.01 0.00 0.00 72.50 69.09 2qio s THR 221 CO 0.46 -0.29 0.04 0.42 -0.69 0.00 0.00 174.62 174.56 2qio s THR 222 N -3.22 1.16 0.21 -0.82 -4.23 -1.26 -4.79 115.64 102.70 2qio s THR 222 Ca 0.58 -2.02 0.17 0.00 -1.18 0.00 0.00 61.69 59.24 2qio s THR 222 Cb -0.11 -2.67 0.10 0.00 1.34 0.00 0.00 72.50 71.17 2qio s THR 222 CO 0.47 -0.09 1.72 1.56 -0.54 0.00 0.00 174.62 177.74 2qio h GLN 223 N 2.22 0.00 -0.29 3.99 7.50 -1.94 -2.98 115.11 123.61 2qio h GLN 223 Ca -0.40 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 58.65 2qio h GLN 223 Cb 1.24 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.76 2qio h GLN 223 CO 0.68 0.42 -0.19 0.93 -1.50 0.00 0.00 178.83 179.16 2qio h GLU 224 N 0.00 0.64 -0.13 1.46 3.07 -1.94 0.34 114.58 118.01 2qio h GLU 224 Ca -0.00 -0.30 -0.04 0.00 -0.50 0.00 0.00 59.36 58.51 2qio h GLU 224 Cb 0.91 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 2qio h GLU 224 CO 0.05 0.90 -0.10 0.93 -1.40 0.00 0.00 179.01 179.39 2qio h GLU 225 N 0.38 0.20 -0.03 2.33 5.08 -1.95 0.53 114.58 121.12 2qio h GLU 225 Ca 0.06 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2qio h GLU 225 Cb 0.73 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2qio h GLU 225 CO 0.05 0.32 -0.28 0.28 -1.00 0.00 0.00 179.01 178.38 2qio h VAL 226 N 0.20 1.49 -0.92 3.13 2.07 -1.35 -2.56 116.25 118.31 2qio h VAL 226 Ca 0.04 -1.83 0.07 0.00 0.82 0.00 0.00 66.70 65.80 2qio h VAL 226 Cb 0.31 2.57 -0.07 0.00 -1.52 0.00 0.00 31.29 32.59 2qio h VAL 226 CO 0.02 0.51 0.58 1.23 0.02 0.00 0.00 177.57 179.92 2qio h GLY 227 N -0.36 1.41 1.90 2.17 0.00 0.43 0.19 103.07 108.80 2qio h GLY 227 Ca -0.03 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 2qio h GLY 227 CO 0.06 0.26 -0.42 -0.55 0.00 0.00 0.00 176.54 175.89 2qio h ASP 228 N 1.02 0.12 0.73 0.19 3.32 0.02 -0.56 116.42 121.27 2qio h ASP 228 Ca 0.41 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.25 2qio h ASP 228 Cb 0.22 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2qio h ASP 228 CO -0.19 0.53 -0.74 0.74 -1.72 0.00 0.00 179.24 177.86 2qio h THR 229 N 0.10 1.53 -0.41 0.35 2.02 -0.92 -2.85 112.91 112.73 2qio h THR 229 Ca 0.01 -2.54 -0.08 0.00 0.77 0.00 0.00 66.41 64.57 2qio h THR 229 Cb 0.79 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 2qio h THR 229 CO 0.06 0.73 -0.03 0.00 0.37 0.00 0.00 175.52 176.64 2qio h ALA 230 N 1.25 0.56 -0.64 6.16 0.00 -0.36 -1.98 119.26 124.25 2qio h ALA 230 Ca -0.01 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 54.74 2qio h ALA 230 Cb 1.31 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 2qio h ALA 230 CO 0.10 0.38 0.17 0.28 0.00 0.00 0.00 179.25 180.17 2qio h VAL 231 N 0.58 0.65 0.35 0.00 2.07 -0.95 -0.50 116.25 118.44 2qio h VAL 231 Ca 0.11 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2qio h VAL 231 Cb 0.53 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2qio h VAL 231 CO 0.03 0.06 -0.19 0.15 0.02 0.00 0.00 177.57 177.64 2qio h PHE 232 N 0.30 -0.48 -0.35 1.57 3.57 -1.26 -0.84 116.94 119.45 2qio h PHE 232 Ca 0.34 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.87 2qio h PHE 232 Cb 0.50 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 2qio h PHE 232 CO -0.23 -0.30 0.24 -0.07 -2.23 0.00 0.00 178.31 175.72 2qio h LEU 233 N -0.50 0.25 0.00 0.59 3.38 -0.56 -1.03 115.31 117.44 2qio h LEU 233 Ca -0.04 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2qio h LEU 233 Cb 0.39 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2qio h LEU 233 CO 0.06 0.17 -0.41 -0.26 0.09 0.00 0.00 178.44 178.09 2qio h PHE 234 N 0.29 0.00 -4.41 1.13 -1.00 -0.93 -3.44 116.94 108.56 2qio h PHE 234 Ca 0.15 0.00 -0.46 0.00 2.81 0.00 0.00 57.97 60.47 2qio h PHE 234 Cb 0.24 0.00 0.12 0.00 3.61 0.00 0.00 35.95 39.92 2qio h PHE 234 CO -0.00 0.07 0.37 -1.54 -1.61 0.00 0.00 178.31 175.61 2qio s SER 235 N -5.96 3.97 0.18 2.17 1.04 -0.34 -4.76 113.70 109.99 2qio s SER 235 Ca 0.04 0.77 0.23 0.00 0.48 0.00 0.00 55.95 57.47 2qio s SER 235 Cb 0.07 -1.22 0.90 0.00 0.10 0.00 0.00 66.02 65.87 2qio s SER 235 CO 0.72 -2.24 1.71 -0.67 0.98 0.00 0.00 173.24 173.74 2qio n ASP 236 N -3.54 0.54 0.29 7.02 4.64 -1.26 -2.58 116.55 121.67 2qio n ASP 236 Ca 0.09 0.60 0.17 0.00 -1.38 0.00 0.00 54.79 54.27 2qio n ASP 236 Cb 0.60 -0.73 0.88 0.00 -1.04 0.00 0.00 41.12 40.83 2qio n ASP 236 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 2qio h LEU 237 N 0.00 0.00 -3.02 -2.67 3.38 -1.92 -2.14 115.31 108.94 2qio h LEU 237 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qio h LEU 237 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2qio h LEU 237 CO 0.00 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.58 2qio n ALA 238 N -2.18 2.79 0.30 1.53 0.00 -1.07 -4.63 120.51 117.26 2qio n ALA 238 Ca -0.02 -1.51 0.14 0.00 0.00 0.00 0.00 53.44 52.05 2qio n ALA 238 Cb 0.20 -0.90 0.75 0.00 0.00 0.00 0.00 19.45 19.49 2qio n ALA 238 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2qio h ARG 239 N 3.78 0.00 -0.18 0.00 0.11 -1.53 0.36 114.38 116.93 2qio h ARG 239 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2qio h ARG 239 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 2qio h ARG 239 CO 0.14 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.62 2qio n GLY 240 N -1.23 1.30 3.44 0.08 0.00 -1.26 -4.90 105.19 102.62 2qio n GLY 240 Ca -0.02 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 2qio n GLY 240 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qio s VAL 241 N -1.77 4.41 -0.00 1.61 1.01 0.13 -5.07 120.40 120.71 2qio s VAL 241 Ca 0.32 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 2qio s VAL 241 Cb 0.21 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.48 2qio s VAL 241 CO 0.31 0.24 0.35 0.28 0.00 0.00 0.00 175.10 176.28 2qio s THR 242 N 1.61 0.06 -1.25 3.92 -1.32 -1.26 -4.74 115.64 112.66 2qio s THR 242 Ca 0.06 -0.47 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 2qio s THR 242 Cb -0.16 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.09 2qio s THR 242 CO 0.05 -0.26 0.00 0.61 -2.21 0.00 0.00 174.62 172.81 2qio n GLY 243 N 1.04 1.10 3.88 6.08 0.00 0.13 -4.95 105.19 112.47 2qio n GLY 243 Ca -0.21 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 2qio n GLY 243 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qio s GLU 244 N -3.25 3.16 -0.30 1.61 2.56 -1.25 -4.82 118.70 116.40 2qio s GLU 244 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.97 54.18 2qio s GLU 244 Cb 0.00 -2.78 0.09 0.00 2.00 0.00 0.00 34.13 33.45 2qio s GLU 244 CO 0.00 0.48 0.07 1.21 -0.56 0.00 0.00 175.26 176.45 2qio s ASN 245 N -3.39 4.15 -0.22 -1.70 2.47 -1.26 -0.31 114.94 114.67 2qio s ASN 245 Ca 0.33 -1.68 -0.19 0.00 0.42 0.00 0.00 52.86 51.73 2qio s ASN 245 Cb -0.10 -1.07 -0.03 0.00 -1.45 0.00 0.00 41.25 38.60 2qio s ASN 245 CO 0.26 -0.38 0.57 -0.63 -3.72 0.00 0.00 177.10 173.20 2qio s ILE 246 N 1.43 5.05 -0.37 -5.21 1.01 0.14 -4.82 121.20 118.44 2qio s ILE 246 Ca 0.08 1.03 -0.25 0.00 0.00 0.00 0.00 60.65 61.52 2qio s ILE 246 Cb -0.18 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.42 2qio s ILE 246 CO -0.18 0.11 0.87 -1.00 0.00 0.00 0.00 174.94 174.74 2qio s HIS 247 N 2.01 3.09 -0.89 3.97 3.76 -1.26 -0.14 115.29 125.83 2qio s HIS 247 Ca 0.25 0.68 -0.01 0.00 -0.15 0.00 0.00 55.06 55.83 2qio s HIS 247 Cb -0.16 -3.55 0.23 0.00 1.11 0.00 0.00 32.58 30.21 2qio s HIS 247 CO 0.09 -0.79 0.81 0.28 -0.85 0.00 0.00 174.74 174.28 2qio n VAL 248 N 5.91 3.05 -2.45 -0.90 0.31 -0.29 -4.77 118.33 119.18 2qio n VAL 248 Ca 0.05 -5.15 0.02 0.00 -0.01 0.00 0.00 64.34 59.25 2qio n VAL 248 Cb 0.48 -2.34 0.01 0.00 -0.91 0.00 0.00 33.84 31.08 2qio n VAL 248 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2qio n ASP 249 N 2.15 0.73 -1.50 4.52 5.75 -1.26 -1.28 116.55 125.66 2qio n ASP 249 Ca 0.22 -2.00 -0.20 0.00 -0.01 0.00 0.00 54.79 52.81 2qio n ASP 249 Cb 0.37 -0.22 -0.08 0.00 -1.03 0.00 0.00 41.12 40.16 2qio n ASP 249 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2qio n SER 250 N 0.37 -5.39 0.00 -1.12 7.64 -1.26 -1.73 113.62 112.12 2qio n SER 250 Ca 0.01 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.38 2qio n SER 250 Cb 1.07 -4.61 0.00 0.00 -1.01 0.00 0.00 64.21 59.66 2qio n SER 250 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qio n GLY 251 N -0.52 0.79 0.37 0.23 0.00 -1.26 -2.22 105.19 102.59 2qio n GLY 251 Ca -0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.95 2qio n GLY 251 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qio h TYR 252 N 0.00 0.72 -0.15 1.61 3.20 -1.72 -2.66 116.97 117.98 2qio h TYR 252 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2qio h TYR 252 Cb 0.00 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 2qio h TYR 252 CO 0.00 0.28 0.30 1.12 -1.64 0.00 0.00 178.16 178.22 2qio h HIS 253 N 0.62 0.00 0.00 -3.82 2.07 -1.92 -1.35 115.15 110.74 2qio h HIS 253 Ca 0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.94 2qio h HIS 253 Cb 0.73 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.71 2qio h HIS 253 CO -0.00 0.00 0.00 -0.84 -3.07 0.00 0.00 177.93 174.02 2qio h ILE 254 N 0.00 0.00 -3.84 6.12 3.07 -1.90 -3.46 117.51 117.50 2qio h ILE 254 Ca 0.07 -0.62 -0.52 0.00 1.55 0.00 0.00 64.86 65.34 2qio h ILE 254 Cb 0.68 1.59 0.04 0.00 -0.27 0.00 0.00 36.82 38.86 2qio h ILE 254 CO -0.00 0.00 0.57 -0.76 -1.05 0.00 0.00 178.15 176.91 2qio s LEU 255 N -5.20 4.48 0.00 0.16 1.43 -0.51 -5.21 118.68 113.83 2qio s LEU 255 Ca 0.08 2.51 0.15 0.00 -1.03 0.00 0.00 54.13 55.84 2qio s LEU 255 Cb 0.09 -3.64 0.12 0.00 0.03 0.00 0.00 46.19 42.79 2qio s LEU 255 CO 0.59 -0.37 0.97 0.61 0.23 0.00 0.00 176.35 178.38