#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqr s ILE 2 N 0.00 1.09 -0.06 1.12 1.01 -1.26 -4.45 121.20 118.64 2bqr s ILE 2 Ca 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.28 2bqr s ILE 2 Cb 0.00 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 2bqr s ILE 2 CO 0.00 0.36 -0.09 -0.69 0.00 0.00 0.00 174.94 174.52 2bqr s VAL 3 N 1.23 3.51 -0.21 2.92 1.01 0.67 -2.21 120.40 127.33 2bqr s VAL 3 Ca -0.04 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2bqr s VAL 3 Cb -0.14 -2.42 0.04 0.00 0.00 0.00 0.00 36.38 33.86 2bqr s VAL 3 CO -0.03 0.60 -0.11 -0.22 0.00 0.00 0.00 175.10 175.34 2bqr s LEU 4 N -0.77 2.45 -0.19 3.92 0.20 -0.31 -1.72 118.68 122.25 2bqr s LEU 4 Ca 0.12 -0.96 -0.10 0.00 0.69 0.00 0.00 54.13 53.87 2bqr s LEU 4 Cb -0.11 -1.29 -0.05 0.00 -0.43 0.00 0.00 46.19 44.31 2bqr s LEU 4 CO 0.01 -0.15 0.15 0.12 -0.29 0.00 0.00 176.35 176.20 2bqr s PHE 5 N 1.35 3.43 -0.14 5.38 5.36 0.14 -0.15 117.98 133.35 2bqr s PHE 5 Ca -0.02 0.38 0.00 0.00 -0.96 0.00 0.00 56.93 56.33 2bqr s PHE 5 Cb -0.17 -2.16 -0.01 0.00 -0.34 0.00 0.00 43.02 40.34 2bqr s PHE 5 CO -0.08 0.32 -0.15 0.08 -1.46 0.00 0.00 175.22 173.94 2bqr s VAL 6 N 0.25 2.84 -0.15 3.12 1.01 0.08 -0.86 120.40 126.69 2bqr s VAL 6 Ca 0.10 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 2bqr s VAL 6 Cb -0.11 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.12 2bqr s VAL 6 CO -0.01 0.52 -0.03 -0.62 0.00 0.00 0.00 175.10 174.97 2bqr s ASP 7 N 0.50 2.54 0.13 3.32 -1.08 -0.55 -1.75 116.67 119.77 2bqr s ASP 7 Ca -0.10 -0.54 -0.30 0.00 -0.52 0.00 0.00 52.55 51.08 2bqr s ASP 7 Cb -0.16 -0.76 -0.07 0.00 -1.46 0.00 0.00 42.92 40.47 2bqr s ASP 7 CO 0.04 -0.20 1.22 -0.36 0.52 0.00 0.00 175.17 176.39 2bqr s PHE 8 N 1.75 3.41 0.32 -5.34 0.08 -0.98 -0.62 117.98 116.60 2bqr s PHE 8 Ca 0.02 1.32 -0.29 0.00 0.12 0.00 0.00 56.93 58.10 2bqr s PHE 8 Cb -0.15 -3.45 -0.10 0.00 -0.57 0.00 0.00 43.02 38.75 2bqr s PHE 8 CO -0.07 -1.36 1.34 -0.51 -0.10 0.00 0.00 175.22 174.52 2bqr s ASP 9 N 0.59 6.73 0.00 1.36 1.01 -0.97 -3.79 116.67 121.60 2bqr s ASP 9 Ca 0.56 2.70 0.00 0.00 0.71 0.00 0.00 52.55 56.53 2bqr s ASP 9 Cb -0.32 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 40.97 2bqr s ASP 9 CO 0.33 -0.59 0.00 0.00 0.21 0.00 0.00 175.17 175.12 2bqr n TYR 10 N 1.07 0.00 -0.11 4.23 0.18 -1.26 -4.61 117.16 116.65 2bqr n TYR 10 Ca 0.01 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.76 2bqr n TYR 10 Cb 0.41 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.35 2bqr n TYR 10 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2bqr n PHE 11 N -0.95 -0.11 -0.23 -3.48 7.35 -1.25 -0.68 117.46 118.12 2bqr n PHE 11 Ca 0.00 0.32 0.02 0.00 -0.76 0.00 0.00 57.45 57.03 2bqr n PHE 11 Cb 0.00 -0.45 0.14 0.00 0.35 0.00 0.00 39.48 39.52 2bqr n PHE 11 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 2bqr h TYR 12 N 0.00 0.50 -0.07 -5.13 -1.99 -1.95 -0.48 116.97 107.85 2bqr h TYR 12 Ca 0.04 0.03 -0.17 0.00 2.00 0.00 0.00 58.73 60.63 2bqr h TYR 12 Cb 0.10 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 2bqr h TYR 12 CO -0.77 0.13 -0.69 0.00 -0.00 0.00 0.00 178.16 176.84 2bqr h ALA 13 N 1.45 0.68 -0.17 3.88 0.00 -1.74 -2.84 119.26 120.52 2bqr h ALA 13 Ca 0.35 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 2bqr h ALA 13 Cb 0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2bqr h ALA 13 CO -0.32 0.76 -0.31 0.37 0.00 0.00 0.00 179.25 179.76 2bqr h GLN 14 N 0.23 0.34 -0.14 0.00 4.15 -0.09 -1.06 115.11 118.54 2bqr h GLN 14 Ca -0.02 -0.14 -0.11 0.00 0.77 0.00 0.00 58.65 59.15 2bqr h GLN 14 Cb 1.24 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.90 2bqr h GLN 14 CO 0.11 0.62 -0.42 0.28 -1.93 0.00 0.00 178.83 177.50 2bqr h VAL 15 N 0.30 1.31 -0.07 2.39 2.07 -1.01 -0.47 116.25 120.77 2bqr h VAL 15 Ca 0.04 -1.55 -0.14 0.00 0.82 0.00 0.00 66.70 65.87 2bqr h VAL 15 Cb 0.70 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 2bqr h VAL 15 CO 0.05 0.47 -0.57 -0.33 0.02 0.00 0.00 177.57 177.21 2bqr h GLU 16 N 0.27 0.22 -0.32 1.57 4.39 -1.18 -1.79 114.58 117.74 2bqr h GLU 16 Ca 0.02 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.51 2bqr h GLU 16 Cb 0.85 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 2bqr h GLU 16 CO 0.07 0.73 -0.07 0.93 -1.16 0.00 0.00 179.01 179.51 2bqr h GLU 17 N 0.17 0.62 -0.69 2.33 5.08 -0.48 -2.21 114.58 119.40 2bqr h GLU 17 Ca -0.00 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2bqr h GLU 17 Cb 1.05 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 2bqr h GLU 17 CO 0.09 0.80 0.46 0.28 -1.00 0.00 0.00 179.01 179.63 2bqr h VAL 18 N 0.40 1.17 0.00 3.13 2.07 -0.94 0.02 116.25 122.11 2bqr h VAL 18 Ca 0.08 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2bqr h VAL 18 Cb 0.56 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2bqr h VAL 18 CO 0.03 0.17 0.00 -0.07 0.02 0.00 0.00 177.57 177.72 2bqr h LEU 19 N 0.93 0.00 -5.71 2.57 4.07 -1.23 -3.34 115.31 112.59 2bqr h LEU 19 Ca 0.25 0.00 -0.41 0.00 0.08 0.00 0.00 57.88 57.80 2bqr h LEU 19 Cb -0.10 0.00 -0.29 0.00 1.08 0.00 0.00 40.66 41.35 2bqr h LEU 19 CO -0.06 0.00 -0.80 -3.20 -1.08 0.00 0.00 178.44 173.30 2bqr n ASN 20 N -2.85 -1.52 0.33 -0.43 4.05 -0.84 -5.01 115.26 108.99 2bqr n ASN 20 Ca 0.02 -2.73 0.11 0.00 0.45 0.00 0.00 54.58 52.43 2bqr n ASN 20 Cb 0.32 0.41 0.58 0.00 1.23 0.00 0.00 39.78 42.32 2bqr n ASN 20 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 2bqr h PRO 21 N 4.87 0.00 0.00 1.20 0.11 -1.15 -0.97 132.00 136.06 2bqr h PRO 21 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2bqr h PRO 21 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2bqr h PRO 21 CO 0.29 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.95 2bqr n SER 22 N -2.74 0.00 -0.04 -2.05 3.41 -1.26 -2.02 113.62 108.92 2bqr n SER 22 Ca -0.01 -0.57 -0.07 0.00 -0.26 0.00 0.00 58.87 57.96 2bqr n SER 22 Cb 0.54 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.35 2bqr n SER 22 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2bqr n LEU 23 N -0.90 0.58 -4.68 1.04 4.77 -0.37 -4.88 117.00 112.57 2bqr n LEU 23 Ca 0.09 0.27 -0.53 0.00 -0.03 0.00 0.00 56.01 55.81 2bqr n LEU 23 Cb 0.04 0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 2bqr n LEU 23 CO 0.07 0.37 1.28 0.29 -1.33 0.00 0.00 177.39 178.07 2bqr n LYS 24 N -2.91 1.55 0.00 3.23 5.02 -0.86 -1.16 118.16 123.03 2bqr n LYS 24 Ca -0.20 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 2bqr n LYS 24 Cb 1.04 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2bqr n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bqr n GLY 25 N 3.87 1.57 3.93 0.72 0.00 -1.26 -5.08 105.19 108.94 2bqr n GLY 25 Ca 0.23 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 2bqr n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bqr s LYS 26 N 0.00 3.48 -0.07 1.61 1.02 -0.31 -4.99 119.74 120.48 2bqr s LYS 26 Ca 0.00 -0.45 -0.30 0.00 0.02 0.00 0.00 55.97 55.25 2bqr s LYS 26 Cb 0.00 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 2bqr s LYS 26 CO 0.00 0.50 1.46 -1.25 -0.92 0.00 0.00 175.35 175.14 2bqr s PRO 27 N -3.04 4.23 -0.13 -1.68 0.04 -1.26 -4.86 135.00 128.30 2bqr s PRO 27 Ca 0.36 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2bqr s PRO 27 Cb -0.12 -3.78 -0.02 0.00 0.04 0.00 0.00 34.50 30.63 2bqr s PRO 27 CO 0.28 -0.71 -0.13 0.08 0.04 0.00 0.00 177.00 176.56 2bqr s VAL 28 N 3.31 3.06 -0.19 -0.36 1.01 -1.26 -1.28 120.40 124.68 2bqr s VAL 28 Ca 0.65 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.98 2bqr s VAL 28 Cb -0.29 -2.28 0.04 0.00 0.00 0.00 0.00 36.38 33.84 2bqr s VAL 28 CO 0.24 0.53 -0.13 -0.69 0.00 0.00 0.00 175.10 175.05 2bqr s VAL 29 N 0.28 1.78 -0.30 2.92 1.01 0.16 -1.56 120.40 124.69 2bqr s VAL 29 Ca -0.10 -1.02 -0.16 0.00 0.00 0.00 0.00 61.98 60.71 2bqr s VAL 29 Cb -0.16 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 2bqr s VAL 29 CO 0.05 0.26 0.43 -0.69 0.00 0.00 0.00 175.10 175.16 2bqr s VAL 30 N 1.35 5.11 0.32 2.92 1.01 -0.48 -1.21 120.40 129.42 2bqr s VAL 30 Ca -0.00 0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.49 2bqr s VAL 30 Cb -0.16 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 2bqr s VAL 30 CO -0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 175.10 174.97 2bqr s VAL 32 N -2.94 2.97 -0.33 0.00 1.01 0.04 -1.00 120.40 120.15 2bqr s VAL 32 Ca 0.32 -1.21 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 2bqr s VAL 32 Cb 0.05 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 2bqr s VAL 32 CO 0.14 0.03 0.69 -0.36 0.00 0.00 0.00 175.10 175.60 2bqr s PHE 33 N 1.29 3.17 -1.72 5.22 0.08 -1.26 -1.65 117.98 123.11 2bqr s PHE 33 Ca -0.03 0.55 0.21 0.00 0.12 0.00 0.00 56.93 57.78 2bqr s PHE 33 Cb -0.18 -3.15 1.17 0.00 -0.57 0.00 0.00 43.02 40.29 2bqr s PHE 33 CO -0.02 -0.58 1.66 -1.13 -0.10 0.00 0.00 175.22 175.05 2bqr n SER 34 N 6.08 0.00 0.00 1.36 3.41 -0.75 -4.90 113.62 118.83 2bqr n SER 34 Ca 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 2bqr n SER 34 Cb 0.49 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 2bqr n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bqr n GLY 35 N 0.41 0.91 0.00 5.00 0.00 -1.26 -4.80 105.19 105.45 2bqr n GLY 35 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2bqr n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bqr n ARG 36 N -2.00 0.00 -0.09 1.61 1.74 -1.26 -4.86 116.66 111.80 2bqr n ARG 36 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2bqr n ARG 36 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2bqr n ARG 36 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2bqr n PHE 37 N 0.00 -2.03 -2.72 -1.55 1.16 -1.26 -4.98 117.46 106.08 2bqr n PHE 37 Ca 0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.17 2bqr n PHE 37 Cb 0.00 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 37.83 2bqr n PHE 37 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 2bqr s GLU 38 N -1.26 4.66 -1.47 3.97 2.12 -1.26 -3.43 118.70 122.02 2bqr s GLU 38 Ca 0.00 1.44 -0.05 0.00 0.36 0.00 0.00 54.97 56.72 2bqr s GLU 38 Cb 0.00 -3.40 0.02 0.00 0.26 0.00 0.00 34.13 31.01 2bqr s GLU 38 CO 0.00 0.14 0.51 -0.25 -0.54 0.00 0.00 175.26 175.12 2bqr n ASP 39 N 3.09 -5.36 -4.82 -1.70 8.00 -1.26 -4.96 116.55 109.54 2bqr n ASP 39 Ca 0.03 -0.27 -0.35 0.00 0.71 0.00 0.00 54.79 54.91 2bqr n ASP 39 Cb 0.50 -4.37 -0.06 0.00 -0.02 0.00 0.00 41.12 37.16 2bqr n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2bqr s SER 40 N -2.64 7.02 0.00 -2.24 1.04 -1.22 -3.82 113.70 111.84 2bqr s SER 40 Ca 0.30 1.53 0.00 0.00 0.48 0.00 0.00 55.95 58.25 2bqr s SER 40 Cb -0.14 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2bqr s SER 40 CO 0.37 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.06 2bqr n GLY 41 N 0.12 0.90 3.25 7.32 0.00 -1.26 -1.80 105.19 113.72 2bqr n GLY 41 Ca 0.02 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 2bqr n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqr s ALA 42 N -1.14 1.37 -0.17 4.61 0.00 -0.66 -2.23 121.76 123.54 2bqr s ALA 42 Ca 0.00 -1.63 -0.19 0.00 0.00 0.00 0.00 51.96 50.13 2bqr s ALA 42 Cb 0.00 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 2bqr s ALA 42 CO 0.00 -0.36 0.55 0.08 0.00 0.00 0.00 175.76 176.03 2bqr s VAL 43 N -3.72 5.10 0.08 0.00 1.01 -0.70 -0.78 120.40 121.39 2bqr s VAL 43 Ca 0.27 1.05 -0.04 0.00 0.00 0.00 0.00 61.98 63.25 2bqr s VAL 43 Cb 0.06 -3.88 -0.28 0.00 0.00 0.00 0.00 36.38 32.29 2bqr s VAL 43 CO 0.06 0.19 1.15 0.00 0.00 0.00 0.00 175.10 176.50 2bqr h ALA 44 N 7.27 0.10 -1.10 5.51 0.00 -0.88 0.23 119.26 130.41 2bqr h ALA 44 Ca -0.35 -0.89 0.36 0.00 0.00 0.00 0.00 54.91 54.04 2bqr h ALA 44 Cb 1.16 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 2bqr h ALA 44 CO 0.75 0.99 0.96 -0.08 0.00 0.00 0.00 179.25 181.87 2bqr s THR 45 N -2.66 0.00 0.02 0.00 -1.32 -1.13 -4.54 115.64 106.01 2bqr s THR 45 Ca -0.04 -0.03 -0.09 0.00 -1.21 0.00 0.00 61.69 60.32 2bqr s THR 45 Cb 0.07 -1.69 0.00 0.00 -1.51 0.00 0.00 72.50 69.37 2bqr s THR 45 CO 0.88 0.00 0.17 0.00 -2.21 0.00 0.00 174.62 173.47 2bqr s ALA 46 N -2.09 -0.36 1.09 11.08 0.00 -1.26 -1.39 121.76 128.83 2bqr s ALA 46 Ca 0.14 -0.19 -0.16 0.00 0.00 0.00 0.00 51.96 51.75 2bqr s ALA 46 Cb 0.05 0.19 0.24 0.00 0.00 0.00 0.00 23.12 23.59 2bqr s ALA 46 CO -0.05 -0.29 1.13 0.54 0.00 0.00 0.00 175.76 177.09 2bqr s ASN 47 N -1.73 1.87 0.37 0.00 2.20 -0.60 -4.76 114.94 112.30 2bqr s ASN 47 Ca -0.10 0.78 0.15 0.00 -0.94 0.00 0.00 52.86 52.75 2bqr s ASN 47 Cb -0.04 -1.16 0.74 0.00 -2.00 0.00 0.00 41.25 38.79 2bqr s ASN 47 CO -0.01 -3.55 1.81 1.88 -2.94 0.00 0.00 177.10 174.29 2bqr h TYR 48 N -2.19 0.00 -1.01 1.54 -1.99 -1.96 -1.86 116.97 109.51 2bqr h TYR 48 Ca -0.48 0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.34 2bqr h TYR 48 Cb 1.30 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.96 2bqr h TYR 48 CO -1.08 0.38 0.64 0.93 -0.00 0.00 0.00 178.16 179.03 2bqr h GLU 49 N 0.00 1.05 0.01 4.88 3.07 -1.92 -1.41 114.58 120.25 2bqr h GLU 49 Ca -0.00 -0.06 -0.24 0.00 -0.50 0.00 0.00 59.36 58.55 2bqr h GLU 49 Cb 0.72 -0.24 0.01 0.00 -0.84 0.00 0.00 28.75 28.41 2bqr h GLU 49 CO 0.05 0.69 -0.99 0.00 -1.40 0.00 0.00 179.01 177.37 2bqr h ALA 50 N 1.50 0.28 0.00 3.43 0.00 -1.73 -3.28 119.26 119.47 2bqr h ALA 50 Ca 0.47 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2bqr h ALA 50 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2bqr h ALA 50 CO -0.23 0.78 0.00 0.00 0.00 0.00 0.00 179.25 179.81 2bqr h ARG 51 N 0.27 0.00 0.00 0.00 3.08 -0.49 -2.39 114.38 114.85 2bqr h ARG 51 Ca -0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2bqr h ARG 51 Cb 1.63 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.68 2bqr h ARG 51 CO 0.18 0.00 -0.07 0.87 -1.07 0.00 0.00 179.97 179.88 2bqr h LYS 52 N 0.00 0.00 -0.43 0.04 1.57 -1.42 -2.35 116.57 113.98 2bqr h LYS 52 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2bqr h LYS 52 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 2bqr h LYS 52 CO 0.00 0.07 0.01 1.19 -0.57 0.00 0.00 179.45 180.15 2bqr n PHE 53 N -3.88 1.57 -0.65 -1.35 3.72 -0.91 -4.95 117.46 111.02 2bqr n PHE 53 Ca -0.02 -0.82 0.00 0.00 -0.05 0.00 0.00 57.45 56.56 2bqr n PHE 53 Cb 0.16 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 2bqr n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bqr n GLY 54 N 0.07 0.84 3.57 1.37 0.00 -0.89 -5.00 105.19 105.15 2bqr n GLY 54 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 2bqr n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bqr s VAL 55 N -3.32 4.53 0.31 1.61 1.01 -1.16 -4.99 120.40 118.39 2bqr s VAL 55 Ca 0.00 0.76 -0.01 0.00 0.00 0.00 0.00 61.98 62.72 2bqr s VAL 55 Cb 0.00 -4.39 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 2bqr s VAL 55 CO 0.00 -0.76 0.39 -1.59 0.00 0.00 0.00 175.10 173.15 2bqr s LYS 56 N 3.61 1.76 0.20 2.72 -2.85 -1.26 -3.47 119.74 120.45 2bqr s LYS 56 Ca 0.36 -1.74 -0.32 0.00 -1.00 0.00 0.00 55.97 53.26 2bqr s LYS 56 Cb -0.11 0.40 -0.14 0.00 -2.06 0.00 0.00 37.83 35.93 2bqr s LYS 56 CO 0.24 -0.70 1.48 0.00 0.10 0.00 0.00 175.35 176.48 2bqr n ALA 57 N -0.52 1.21 0.00 0.59 0.00 -1.26 -2.92 120.51 117.60 2bqr n ALA 57 Ca 0.02 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2bqr n ALA 57 Cb 0.62 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2bqr n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bqr n GLY 58 N 2.71 3.48 3.85 0.00 0.00 0.82 -4.98 105.19 111.07 2bqr n GLY 58 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2bqr n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2bqr s ILE 59 N -2.96 4.80 0.38 -0.61 -4.36 -1.15 -4.74 121.20 112.57 2bqr s ILE 59 Ca 0.00 0.78 -0.25 0.00 -0.26 0.00 0.00 60.65 60.92 2bqr s ILE 59 Cb 0.00 -3.67 -0.12 0.00 1.25 0.00 0.00 42.46 39.92 2bqr s ILE 59 CO 0.00 0.01 0.98 -2.65 0.24 0.00 0.00 174.94 173.52 2bqr n PRO 60 N 0.13 1.31 -0.30 0.37 -0.02 -1.26 -1.72 135.00 133.51 2bqr n PRO 60 Ca -0.00 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2bqr n PRO 60 Cb 0.52 -1.96 0.19 0.00 -0.02 0.00 0.00 33.50 32.24 2bqr n PRO 60 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2bqr h ILE 61 N 1.63 1.19 -0.54 4.25 2.04 -1.68 -2.00 117.51 122.40 2bqr h ILE 61 Ca -0.43 -0.39 0.08 0.00 1.00 0.00 0.00 64.86 65.12 2bqr h ILE 61 Cb 1.34 -0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 2bqr h ILE 61 CO 0.58 0.21 0.18 0.58 0.00 0.00 0.00 178.15 179.70 2bqr h VAL 62 N 1.15 0.79 0.00 1.67 2.07 -1.83 0.16 116.25 120.26 2bqr h VAL 62 Ca 0.34 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.69 2bqr h VAL 62 Cb -0.06 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2bqr h VAL 62 CO -0.09 0.06 -0.24 -0.33 0.02 0.00 0.00 177.57 177.00 2bqr h GLU 63 N 0.36 0.00 -0.14 1.57 4.39 -1.73 -2.77 114.58 116.25 2bqr h GLU 63 Ca 0.27 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.84 2bqr h GLU 63 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2bqr h GLU 63 CO -0.28 0.24 -0.42 0.00 -1.16 0.00 0.00 179.01 177.39 2bqr h ALA 64 N 1.76 0.24 0.00 3.43 0.00 -0.57 -2.98 119.26 121.15 2bqr h ALA 64 Ca -0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2bqr h ALA 64 Cb 0.63 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2bqr h ALA 64 CO 0.03 0.35 -0.23 0.87 0.00 0.00 0.00 179.25 180.27 2bqr h LYS 65 N 0.15 0.00 0.00 0.00 1.57 -0.99 0.27 116.57 117.56 2bqr h LYS 65 Ca -0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 2bqr h LYS 65 Cb 1.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2bqr h LYS 65 CO 0.09 0.23 -0.40 -0.22 -0.57 0.00 0.00 179.45 178.58 2bqr h LYS 66 N 0.00 0.00 0.03 3.15 3.64 -1.44 -0.76 116.57 121.18 2bqr h LYS 66 Ca -0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 2bqr h LYS 66 Cb 0.45 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 2bqr h LYS 66 CO 0.03 0.40 -1.63 -0.89 -2.27 0.00 0.00 179.45 175.09 2bqr n ILE 67 N -3.92 1.59 -3.38 2.00 5.41 -0.53 -4.64 119.36 115.89 2bqr n ILE 67 Ca -0.01 -0.23 -0.26 0.00 1.00 0.00 0.00 62.75 63.24 2bqr n ILE 67 Cb 0.45 -1.93 -0.08 0.00 -0.71 0.00 0.00 39.64 37.37 2bqr n ILE 67 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2bqr n LEU 68 N -4.17 3.16 0.17 1.39 4.77 0.83 -4.93 117.00 118.22 2bqr n LEU 68 Ca -0.36 -5.32 0.12 0.00 -0.03 0.00 0.00 56.01 50.42 2bqr n LEU 68 Cb 0.80 -0.44 0.61 0.00 -2.33 0.00 0.00 43.42 42.05 2bqr n LEU 68 CO 0.22 2.06 0.85 -0.81 -1.33 0.00 0.00 177.39 178.38 2bqr n PRO 69 N 0.93 0.15 -0.07 3.23 -0.04 -0.29 -2.18 135.00 136.73 2bqr n PRO 69 Ca 0.28 0.63 0.06 0.00 -0.04 0.00 0.00 63.50 64.43 2bqr n PRO 69 Cb 0.43 -1.97 0.09 0.00 -0.04 0.00 0.00 33.50 32.01 2bqr n PRO 69 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2bqr n ASN 70 N -2.29 2.36 -4.63 3.54 3.02 -1.26 -5.01 115.26 111.00 2bqr n ASN 70 Ca -0.01 -1.68 -0.29 0.00 -0.03 0.00 0.00 54.58 52.57 2bqr n ASN 70 Cb 0.05 -0.09 0.19 0.00 -0.61 0.00 0.00 39.78 39.32 2bqr n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bqr s ALA 71 N -1.00 0.66 -0.18 5.41 0.00 -0.93 -4.98 121.76 120.75 2bqr s ALA 71 Ca 0.18 -0.16 -0.19 0.00 0.00 0.00 0.00 51.96 51.80 2bqr s ALA 71 Cb 0.11 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 2bqr s ALA 71 CO 0.16 -3.05 0.53 0.08 0.00 0.00 0.00 175.76 173.48 2bqr s VAL 72 N -2.78 5.11 -0.20 0.00 1.01 -0.40 -4.99 120.40 118.15 2bqr s VAL 72 Ca 0.66 0.99 -0.04 0.00 0.00 0.00 0.00 61.98 63.58 2bqr s VAL 72 Cb -0.21 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2bqr s VAL 72 CO 0.60 0.20 -0.02 -0.31 0.00 0.00 0.00 175.10 175.57 2bqr s TYR 73 N 1.46 3.00 0.02 5.22 2.02 -1.26 -0.67 117.35 127.15 2bqr s TYR 73 Ca 0.25 -0.58 0.07 0.00 -0.37 0.00 0.00 57.07 56.43 2bqr s TYR 73 Cb -0.15 -2.07 -0.02 0.00 -0.40 0.00 0.00 41.96 39.31 2bqr s TYR 73 CO 0.10 -0.31 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.06 2bqr s LEU 74 N 1.06 2.13 0.02 -1.29 1.43 -0.35 -4.99 118.68 116.68 2bqr s LEU 74 Ca 0.02 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 2bqr s LEU 74 Cb -0.14 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 2bqr s LEU 74 CO 0.01 0.18 0.99 -2.16 0.23 0.00 0.00 176.35 175.59 2bqr s PRO 75 N -0.95 4.57 0.28 1.29 0.04 -1.26 -0.80 135.00 138.18 2bqr s PRO 75 Ca 0.07 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 2bqr s PRO 75 Cb -0.08 -3.44 -0.13 0.00 0.04 0.00 0.00 34.50 30.88 2bqr s PRO 75 CO 0.01 -0.03 1.24 -0.12 0.04 0.00 0.00 177.00 178.14 2bqr n MET 76 N 3.76 1.81 -3.49 4.56 1.56 -0.17 -4.86 117.12 120.28 2bqr n MET 76 Ca 0.06 0.64 -0.27 0.00 -0.27 0.00 0.00 57.70 57.86 2bqr n MET 76 Cb 0.51 -2.18 -0.09 0.00 2.15 0.00 0.00 33.22 33.60 2bqr n MET 76 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2bqr n ARG 77 N 1.14 1.34 -0.27 2.12 1.74 -1.26 -4.99 116.66 116.49 2bqr n ARG 77 Ca 0.09 -3.92 0.08 0.00 -0.77 0.00 0.00 57.85 53.33 2bqr n ARG 77 Cb 0.33 -1.88 0.22 0.00 -1.02 0.00 0.00 32.46 30.10 2bqr n ARG 77 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2bqr h LYS 78 N 4.84 0.32 -0.77 5.56 3.11 -1.99 -2.16 116.57 125.47 2bqr h LYS 78 Ca 0.17 -0.02 0.05 0.00 -2.81 0.00 0.00 60.65 58.05 2bqr h LYS 78 Cb 0.80 -0.07 -0.06 0.00 -1.00 0.00 0.00 32.23 31.90 2bqr h LYS 78 CO 0.60 0.21 0.47 0.93 -2.81 0.00 0.00 179.45 178.85 2bqr h GLU 79 N 0.33 0.84 -0.09 1.90 3.07 -1.99 -0.03 114.58 118.61 2bqr h GLU 79 Ca 0.46 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.26 2bqr h GLU 79 Cb 0.79 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.51 2bqr h GLU 79 CO -0.50 0.56 0.03 0.28 -1.40 0.00 0.00 179.01 177.97 2bqr h VAL 80 N 0.87 1.16 -0.20 3.13 2.07 -1.84 -2.10 116.25 119.34 2bqr h VAL 80 Ca 0.33 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2bqr h VAL 80 Cb 0.14 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2bqr h VAL 80 CO -0.16 0.14 -0.00 1.88 0.02 0.00 0.00 177.57 179.45 2bqr h TYR 81 N -0.03 0.30 -0.18 1.57 0.05 -1.25 -1.87 116.97 115.56 2bqr h TYR 81 Ca 0.03 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 2bqr h TYR 81 Cb 0.20 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 2bqr h TYR 81 CO -0.01 0.31 -0.03 0.37 -1.05 0.00 0.00 178.16 177.76 2bqr h GLN 82 N 0.29 0.34 -0.42 4.88 5.75 -0.71 -0.27 115.11 124.97 2bqr h GLN 82 Ca 0.07 -0.12 -0.06 0.00 -0.15 0.00 0.00 58.65 58.38 2bqr h GLN 82 Cb 0.21 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 2bqr h GLN 82 CO 0.00 0.59 -0.01 1.96 -2.65 0.00 0.00 178.83 178.72 2bqr h GLN 83 N 0.07 0.68 -0.47 1.69 4.20 -1.11 0.13 115.11 120.29 2bqr h GLN 83 Ca 0.05 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 58.49 2bqr h GLN 83 Cb 0.45 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 2bqr h GLN 83 CO 0.02 0.70 -0.07 0.28 -0.67 0.00 0.00 178.83 179.08 2bqr h VAL 84 N 0.64 1.27 -0.55 -0.54 2.07 -1.23 -2.32 116.25 115.58 2bqr h VAL 84 Ca 0.13 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 2bqr h VAL 84 Cb 0.41 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2bqr h VAL 84 CO 0.02 0.41 0.32 -1.28 0.02 0.00 0.00 177.57 177.06 2bqr h SER 85 N 0.73 0.68 -0.88 0.57 0.87 -0.57 -2.17 113.55 112.77 2bqr h SER 85 Ca 0.13 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2bqr h SER 85 Cb 0.61 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.35 2bqr h SER 85 CO 0.04 0.55 0.56 0.28 -0.53 0.00 0.00 176.83 177.73 2bqr h SER 86 N 0.74 0.93 -0.54 6.23 0.02 -0.53 0.53 113.55 120.93 2bqr h SER 86 Ca 0.20 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 2bqr h SER 86 Cb 0.01 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2bqr h SER 86 CO -0.03 0.63 -0.01 0.03 -1.14 0.00 0.00 176.83 176.30 2bqr h ARG 87 N 1.08 0.99 -0.38 3.45 3.08 -1.10 -0.80 114.38 120.70 2bqr h ARG 87 Ca 0.36 -0.31 -0.13 0.00 0.07 0.00 0.00 59.98 59.97 2bqr h ARG 87 Cb 0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2bqr h ARG 87 CO -0.13 0.98 -0.29 0.82 -1.07 0.00 0.00 179.97 180.28 2bqr h ILE 88 N 0.91 1.28 -0.84 2.04 2.04 -0.77 -2.60 117.51 119.56 2bqr h ILE 88 Ca 0.16 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.56 2bqr h ILE 88 Cb 0.55 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 2bqr h ILE 88 CO 0.03 0.48 0.45 -0.03 0.00 0.00 0.00 178.15 179.08 2bqr h MET 89 N 0.70 1.17 0.00 2.37 4.05 -0.59 -1.71 114.93 120.93 2bqr h MET 89 Ca 0.08 -0.14 -0.05 0.00 -0.28 0.00 0.00 59.70 59.31 2bqr h MET 89 Cb 0.84 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 2bqr h MET 89 CO 0.07 0.86 -0.25 -0.91 0.23 0.00 0.00 176.91 176.91 2bqr h ASN 90 N 1.17 0.00 0.30 1.39 2.35 -0.83 -2.37 115.58 117.59 2bqr h ASN 90 Ca 0.30 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.92 2bqr h ASN 90 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2bqr h ASN 90 CO -0.05 0.25 -0.51 -0.07 -1.65 0.00 0.00 177.43 175.40 2bqr h LEU 91 N 0.00 0.26 -0.72 1.61 3.38 -0.95 -3.07 115.31 115.82 2bqr h LEU 91 Ca -0.00 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 2bqr h LEU 91 Cb 0.47 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2bqr h LEU 91 CO 0.03 0.73 -0.64 -0.07 0.09 0.00 0.00 178.44 178.59 2bqr h LEU 92 N 0.19 0.00 -1.57 1.67 3.38 -1.07 -3.14 115.31 114.77 2bqr h LEU 92 Ca 0.01 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.07 2bqr h LEU 92 Cb 0.97 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 2bqr h LEU 92 CO 0.08 0.64 0.42 0.03 0.09 0.00 0.00 178.44 179.70 2bqr h ARG 93 N 0.00 0.48 0.00 1.13 -0.00 -1.39 0.02 114.38 114.62 2bqr h ARG 93 Ca -0.01 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 2bqr h ARG 93 Cb 1.13 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 30.99 2bqr h ARG 93 CO 0.08 0.32 0.00 0.39 0.00 0.00 0.00 179.97 180.76 2bqr n GLU 94 N -4.48 0.56 0.00 0.04 -0.58 -1.19 -2.09 120.64 112.91 2bqr n GLU 94 Ca 0.10 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.85 2bqr n GLU 94 Cb 0.34 -1.27 -0.01 0.00 -0.57 0.00 0.00 31.44 29.93 2bqr n GLU 94 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2bqr n TYR 95 N -0.77 0.00 -3.65 -0.32 4.01 -0.01 -5.02 117.16 111.40 2bqr n TYR 95 Ca 0.07 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.82 2bqr n TYR 95 Cb 0.03 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.00 2bqr n TYR 95 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2bqr s SER 96 N -0.96 -0.03 0.21 7.72 0.15 -0.89 -4.91 113.70 115.00 2bqr s SER 96 Ca 0.02 0.05 0.08 0.00 0.70 0.00 0.00 55.95 56.79 2bqr s SER 96 Cb 0.02 0.66 0.15 0.00 -1.71 0.00 0.00 66.02 65.15 2bqr s SER 96 CO 0.09 -0.01 1.49 -0.33 1.20 0.00 0.00 173.24 175.68 2bqr h GLU 97 N 4.34 0.05 -4.99 5.44 3.07 -1.90 -3.40 114.58 117.20 2bqr h GLU 97 Ca -0.26 -0.05 -0.68 0.00 -0.50 0.00 0.00 59.36 57.87 2bqr h GLU 97 Cb 1.17 0.01 -0.18 0.00 -0.84 0.00 0.00 28.75 28.91 2bqr h GLU 97 CO 0.22 0.78 0.35 0.15 -1.40 0.00 0.00 179.01 179.11 2bqr s LYS 98 N -3.33 3.14 -0.02 2.33 1.02 -1.26 -5.00 119.74 116.62 2bqr s LYS 98 Ca -0.01 -1.22 0.01 0.00 0.02 0.00 0.00 55.97 54.77 2bqr s LYS 98 Cb 0.12 -4.33 0.02 0.00 -0.52 0.00 0.00 37.83 33.12 2bqr s LYS 98 CO 0.79 -1.67 -0.01 -1.50 -0.92 0.00 0.00 175.35 172.04 2bqr s ILE 99 N 3.14 0.22 -0.29 2.17 2.07 -1.26 -2.30 121.20 124.94 2bqr s ILE 99 Ca 0.18 0.01 -0.04 0.00 -1.41 0.00 0.00 60.65 59.39 2bqr s ILE 99 Cb -0.19 -0.28 0.03 0.00 0.13 0.00 0.00 42.46 42.16 2bqr s ILE 99 CO 0.06 0.13 0.02 -0.70 -1.91 0.00 0.00 174.94 172.53 2bqr s GLU 100 N 0.71 2.71 -0.65 3.50 2.12 -0.30 -4.22 118.70 122.57 2bqr s GLU 100 Ca -0.07 -1.08 -0.22 0.00 0.36 0.00 0.00 54.97 53.95 2bqr s GLU 100 Cb -0.10 -3.21 0.07 0.00 0.26 0.00 0.00 34.13 31.14 2bqr s GLU 100 CO -0.01 -0.53 0.94 0.42 -0.54 0.00 0.00 175.26 175.54 2bqr s ILE 101 N 1.35 4.36 0.16 -3.70 1.01 -1.26 -0.65 121.20 122.48 2bqr s ILE 101 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.27 2bqr s ILE 101 Cb -0.18 -4.66 -0.15 0.00 0.01 0.00 0.00 42.46 37.48 2bqr s ILE 101 CO -0.01 -1.41 1.37 0.00 0.00 0.00 0.00 174.94 174.90 2bqr h ALA 102 N 9.53 0.51 -2.67 9.38 0.00 -1.82 -3.45 119.26 130.74 2bqr h ALA 102 Ca -0.29 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 53.88 2bqr h ALA 102 Cb 1.07 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2bqr h ALA 102 CO 1.17 0.86 0.08 -1.13 0.00 0.00 0.00 179.25 180.23 2bqr n SER 103 N -3.71 -0.97 0.11 0.00 3.41 -1.19 -4.95 113.62 106.30 2bqr n SER 103 Ca -0.04 -1.79 0.07 0.00 -0.26 0.00 0.00 58.87 56.85 2bqr n SER 103 Cb 0.79 1.65 0.38 0.00 -0.26 0.00 0.00 64.21 66.77 2bqr n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bqr n ILE 104 N -0.26 1.37 -2.11 -1.33 3.06 -1.26 -3.21 119.36 115.63 2bqr n ILE 104 Ca -0.03 0.65 0.00 0.00 -2.50 0.00 0.00 62.75 60.87 2bqr n ILE 104 Cb 0.28 -1.65 -0.00 0.00 0.54 0.00 0.00 39.64 38.81 2bqr n ILE 104 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 2bqr n ASP 105 N -1.99 0.10 -4.09 9.51 5.75 -1.26 -4.80 116.55 119.77 2bqr n ASP 105 Ca -0.01 -1.77 -0.17 0.00 -0.01 0.00 0.00 54.79 52.84 2bqr n ASP 105 Cb 0.02 -0.12 -0.13 0.00 -1.03 0.00 0.00 41.12 39.87 2bqr n ASP 105 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2bqr s GLU 106 N 0.00 0.70 -0.21 0.11 2.02 -1.20 -2.31 118.70 117.80 2bqr s GLU 106 Ca 0.07 -0.68 -0.25 0.00 0.02 0.00 0.00 54.97 54.14 2bqr s GLU 106 Cb 0.08 -0.62 0.07 0.00 0.10 0.00 0.00 34.13 33.76 2bqr s GLU 106 CO -0.04 0.15 0.67 0.00 0.02 0.00 0.00 175.26 176.06 2bqr s ALA 107 N -0.94 -1.67 -0.10 5.21 0.00 -0.72 -2.22 121.76 121.32 2bqr s ALA 107 Ca -0.03 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.71 2bqr s ALA 107 Cb -0.08 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 2bqr s ALA 107 CO 0.01 -0.33 -0.10 0.71 0.00 0.00 0.00 175.76 176.05 2bqr s TYR 108 N 0.07 2.86 -0.07 0.00 2.02 0.18 -0.75 117.35 121.66 2bqr s TYR 108 Ca -0.02 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.40 2bqr s TYR 108 Cb -0.04 -1.78 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 2bqr s TYR 108 CO 0.03 0.04 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.38 2bqr s LEU 109 N -0.17 2.63 -0.74 -1.29 1.43 0.78 -1.15 118.68 120.17 2bqr s LEU 109 Ca 0.01 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 52.68 2bqr s LEU 109 Cb -0.13 -1.54 0.18 0.00 0.03 0.00 0.00 46.19 44.73 2bqr s LEU 109 CO 0.03 0.29 0.74 -0.62 0.23 0.00 0.00 176.35 177.02 2bqr s ASP 110 N -0.43 6.55 -0.76 2.29 -1.08 -0.97 -1.17 116.67 121.10 2bqr s ASP 110 Ca 0.05 -2.27 0.00 0.00 -0.52 0.00 0.00 52.55 49.81 2bqr s ASP 110 Cb -0.12 -2.24 0.36 0.00 -1.46 0.00 0.00 42.92 39.46 2bqr s ASP 110 CO 0.02 -0.75 1.74 2.30 0.52 0.00 0.00 175.17 179.00 2bqr n ILE 111 N 4.61 3.51 0.07 4.11 -5.35 -0.94 -4.64 119.36 120.75 2bqr n ILE 111 Ca 0.06 -4.67 -0.18 0.00 -0.27 0.00 0.00 62.75 57.69 2bqr n ILE 111 Cb 0.45 -1.28 -0.14 0.00 -1.74 0.00 0.00 39.64 36.92 2bqr n ILE 111 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2bqr h SER 112 N 3.01 0.47 -0.53 7.28 0.02 -1.87 -3.30 113.55 118.63 2bqr h SER 112 Ca 0.48 -0.62 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2bqr h SER 112 Cb 0.29 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 2bqr h SER 112 CO 1.25 1.52 0.04 0.47 -1.14 0.00 0.00 176.83 178.96 2bqr n ASP 113 N -3.50 5.09 0.00 3.07 8.00 -1.26 -3.81 116.55 124.13 2bqr n ASP 113 Ca -0.17 -2.86 0.00 0.00 0.71 0.00 0.00 54.79 52.47 2bqr n ASP 113 Cb 1.05 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 2bqr n ASP 113 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2bqr n LYS 114 N 0.45 2.11 -3.95 -1.24 4.76 -1.25 -5.06 118.16 113.98 2bqr n LYS 114 Ca 0.26 -0.16 -0.09 0.00 -2.87 0.00 0.00 58.31 55.46 2bqr n LYS 114 Cb 1.12 -0.57 -0.08 0.00 -1.84 0.00 0.00 35.03 33.66 2bqr n LYS 114 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2bqr s VAL 115 N -0.35 0.13 -0.06 -0.18 1.01 -1.24 -5.03 120.40 114.67 2bqr s VAL 115 Ca 0.00 -1.40 0.08 0.00 0.00 0.00 0.00 61.98 60.66 2bqr s VAL 115 Cb 0.00 -1.58 -0.12 0.00 0.00 0.00 0.00 36.38 34.68 2bqr s VAL 115 CO 0.00 -0.57 0.09 0.54 0.00 0.00 0.00 175.10 175.15 2bqr n ARG 116 N -0.09 1.86 -3.81 2.72 1.74 -1.26 -4.78 116.66 113.05 2bqr n ARG 116 Ca -0.12 -0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 56.81 2bqr n ARG 116 Cb 0.63 -1.22 -0.01 0.00 -1.02 0.00 0.00 32.46 30.83 2bqr n ARG 116 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2bqr n ASP 117 N -2.17 -1.65 0.27 0.55 5.68 -1.26 -5.05 116.55 112.91 2bqr n ASP 117 Ca -0.10 -2.72 0.14 0.00 -0.50 0.00 0.00 54.79 51.61 2bqr n ASP 117 Cb 0.62 2.92 0.72 0.00 -1.14 0.00 0.00 41.12 44.23 2bqr n ASP 117 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 2bqr h TYR 118 N 1.97 0.00 -0.25 2.11 0.05 -1.98 -2.17 116.97 116.70 2bqr h TYR 118 Ca -0.29 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.42 2bqr h TYR 118 Cb 1.16 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.90 2bqr h TYR 118 CO 0.00 0.10 -0.13 -0.09 -1.05 0.00 0.00 178.16 177.00 2bqr h ARG 119 N 0.00 0.53 -0.08 4.88 2.43 -1.98 -0.36 114.38 119.80 2bqr h ARG 119 Ca -0.00 -0.24 -0.14 0.00 -0.81 0.00 0.00 59.98 58.80 2bqr h ARG 119 Cb 0.43 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2bqr h ARG 119 CO 0.01 0.79 -0.56 0.93 -1.51 0.00 0.00 179.97 179.63 2bqr h GLU 120 N 0.26 0.24 0.06 0.20 5.08 -1.93 -0.62 114.58 117.86 2bqr h GLU 120 Ca 0.06 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2bqr h GLU 120 Cb 0.64 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2bqr h GLU 120 CO 0.04 0.74 -0.03 0.00 -1.00 0.00 0.00 179.01 178.76 2bqr h ALA 121 N 1.23 -0.08 -0.58 3.43 0.00 -1.33 0.27 119.26 122.19 2bqr h ALA 121 Ca -0.00 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.80 2bqr h ALA 121 Cb 1.05 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 2bqr h ALA 121 CO 0.09 -0.34 0.21 -0.92 0.00 0.00 0.00 179.25 178.28 2bqr h TYR 122 N -0.48 0.36 -0.09 0.00 3.20 -1.01 0.23 116.97 119.17 2bqr h TYR 122 Ca -0.01 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.90 2bqr h TYR 122 Cb 0.42 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 2bqr h TYR 122 CO 0.06 0.08 0.04 -0.91 -1.64 0.00 0.00 178.16 175.79 2bqr h ASN 123 N 0.38 0.05 -0.32 -2.11 -0.26 -0.93 -0.49 115.58 111.90 2bqr h ASN 123 Ca 0.29 0.01 0.08 0.00 -0.56 0.00 0.00 56.30 56.12 2bqr h ASN 123 Cb 0.36 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 2bqr h ASN 123 CO -0.30 0.04 0.23 0.25 -1.06 0.00 0.00 177.43 176.59 2bqr h LEU 124 N 0.09 0.05 0.96 1.61 5.85 0.62 -1.44 115.31 123.05 2bqr h LEU 124 Ca 0.04 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 2bqr h LEU 124 Cb 0.01 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.04 2bqr h LEU 124 CO -0.03 0.03 -0.48 1.23 -0.34 0.00 0.00 178.44 178.85 2bqr h GLY 125 N 0.06 -1.38 0.53 3.75 0.00 0.11 -0.63 103.07 105.50 2bqr h GLY 125 Ca 0.15 0.52 0.15 0.00 0.00 0.00 0.00 47.33 48.15 2bqr h GLY 125 CO -0.01 -0.50 0.56 1.41 0.00 0.00 0.00 176.54 178.01 2bqr h LEU 126 N -1.31 0.57 -0.92 3.11 3.38 -0.86 0.26 115.31 119.56 2bqr h LEU 126 Ca -0.13 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2bqr h LEU 126 Cb 1.01 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2bqr h LEU 126 CO 0.20 0.28 0.05 -0.08 0.09 0.00 0.00 178.44 178.99 2bqr h GLU 127 N 0.60 0.85 -0.10 1.13 4.22 -0.98 -1.19 114.58 119.11 2bqr h GLU 127 Ca 0.44 -0.21 -0.15 0.00 0.08 0.00 0.00 59.36 59.51 2bqr h GLU 127 Cb 0.80 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.95 2bqr h GLU 127 CO -0.19 0.82 -0.54 0.82 -2.18 0.00 0.00 179.01 177.73 2bqr h ILE 128 N 0.80 1.36 -0.63 2.32 2.04 0.10 -1.03 117.51 122.48 2bqr h ILE 128 Ca 0.16 -1.87 0.03 0.00 1.00 0.00 0.00 64.86 64.19 2bqr h ILE 128 Cb 0.41 2.22 -0.04 0.00 -0.74 0.00 0.00 36.82 38.66 2bqr h ILE 128 CO 0.01 0.56 0.38 0.11 0.00 0.00 0.00 178.15 179.22 2bqr h LYS 129 N 0.14 0.72 -0.40 2.37 1.57 -0.83 -1.60 116.57 118.55 2bqr h LYS 129 Ca -0.04 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 2bqr h LYS 129 Cb 1.19 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2bqr h LYS 129 CO 0.11 0.48 0.02 -0.97 -0.57 0.00 0.00 179.45 178.52 2bqr h ASN 130 N 0.75 0.67 -0.83 0.86 -0.73 -1.19 0.74 115.58 115.84 2bqr h ASN 130 Ca 0.26 -0.30 0.04 0.00 1.87 0.00 0.00 56.30 58.18 2bqr h ASN 130 Cb 0.04 -0.18 -0.05 0.00 0.27 0.00 0.00 38.32 38.40 2bqr h ASN 130 CO -0.11 0.80 0.53 0.50 -0.37 0.00 0.00 177.43 178.78 2bqr h LYS 131 N 0.52 0.97 -0.12 6.67 1.63 -0.85 -0.62 116.57 124.77 2bqr h LYS 131 Ca 0.11 -0.06 -0.19 0.00 -0.85 0.00 0.00 60.65 59.66 2bqr h LYS 131 Cb 0.45 -0.22 0.01 0.00 -0.60 0.00 0.00 32.23 31.87 2bqr h LYS 131 CO 0.02 0.64 -0.68 0.82 -3.45 0.00 0.00 179.45 176.80 2bqr h ILE 132 N 1.00 1.32 -0.36 2.00 2.04 -1.12 -2.02 117.51 120.37 2bqr h ILE 132 Ca 0.34 -1.93 -0.02 0.00 1.00 0.00 0.00 64.86 64.25 2bqr h ILE 132 Cb 0.07 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2bqr h ILE 132 CO -0.14 0.60 0.13 0.25 0.00 0.00 0.00 178.15 178.99 2bqr h LEU 133 N 0.34 0.46 0.02 1.44 5.85 -0.51 0.35 115.31 123.26 2bqr h LEU 133 Ca -0.05 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2bqr h LEU 133 Cb 1.32 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2bqr h LEU 133 CO 0.14 0.43 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.33 2bqr h GLU 134 N 0.51 -0.02 -0.05 1.25 5.08 -1.12 -1.26 114.58 118.97 2bqr h GLU 134 Ca 0.13 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 2bqr h GLU 134 Cb 0.13 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2bqr h GLU 134 CO -0.01 0.60 -0.50 0.87 -1.00 0.00 0.00 179.01 178.97 2bqr h LYS 135 N -0.97 0.13 0.00 2.33 1.57 -1.38 -3.37 116.57 114.88 2bqr h LYS 135 Ca -0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2bqr h LYS 135 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2bqr h LYS 135 CO 0.00 0.61 -0.41 0.39 -0.57 0.00 0.00 179.45 179.47 2bqr n GLU 136 N -3.95 3.53 -2.32 3.15 -0.58 0.07 -5.02 120.64 115.52 2bqr n GLU 136 Ca -0.02 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.62 2bqr n GLU 136 Cb 0.53 -0.66 0.00 0.00 -0.57 0.00 0.00 31.44 30.74 2bqr n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2bqr n LYS 137 N -1.05 -1.27 -4.58 3.49 4.76 -0.48 -4.99 118.16 114.04 2bqr n LYS 137 Ca 0.00 0.45 -0.33 0.00 -2.87 0.00 0.00 58.31 55.56 2bqr n LYS 137 Cb 0.00 -4.43 -0.15 0.00 -1.84 0.00 0.00 35.03 28.61 2bqr n LYS 137 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2bqr s ILE 138 N -2.60 2.62 0.17 -0.18 -1.09 -1.24 -4.90 121.20 113.99 2bqr s ILE 138 Ca 0.05 -0.79 -0.17 0.00 -2.23 0.00 0.00 60.65 57.51 2bqr s ILE 138 Cb -0.02 -2.10 -0.07 0.00 -1.58 0.00 0.00 42.46 38.69 2bqr s ILE 138 CO 0.06 0.52 0.62 0.42 -1.23 0.00 0.00 174.94 175.33 2bqr s THR 139 N 0.76 4.73 0.03 2.92 -4.23 -1.26 -3.45 115.64 115.14 2bqr s THR 139 Ca -0.06 1.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 2bqr s THR 139 Cb -0.15 -3.79 -0.03 0.00 1.34 0.00 0.00 72.50 69.87 2bqr s THR 139 CO 0.01 0.24 -0.04 0.68 -0.54 0.00 0.00 174.62 174.97 2bqr s VAL 140 N -1.47 0.21 -0.11 2.29 -7.23 -1.26 -2.29 120.40 110.53 2bqr s VAL 140 Ca 0.39 -1.20 -0.05 0.00 -1.81 0.00 0.00 61.98 59.31 2bqr s VAL 140 Cb -0.16 -0.68 -0.04 0.00 0.56 0.00 0.00 36.38 36.06 2bqr s VAL 140 CO 0.20 -0.63 0.09 -0.89 -0.31 0.00 0.00 175.10 173.55 2bqr s THR 141 N -2.18 5.05 -0.01 5.32 2.01 0.21 -4.13 115.64 121.92 2bqr s THR 141 Ca -0.08 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.01 2bqr s THR 141 Cb -0.05 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 2bqr s THR 141 CO -0.03 0.60 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.65 2bqr s VAL 142 N -0.86 2.95 -0.02 3.82 1.01 -0.28 -1.49 120.40 125.53 2bqr s VAL 142 Ca 0.14 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.24 2bqr s VAL 142 Cb -0.12 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2bqr s VAL 142 CO 0.03 0.48 -0.15 -0.83 0.00 0.00 0.00 175.10 174.63 2bqr s GLY 143 N -1.03 0.76 -0.04 4.51 0.00 -0.04 -1.62 107.32 109.86 2bqr s GLY 143 Ca 0.13 -0.64 -0.00 0.00 0.00 0.00 0.00 44.72 44.21 2bqr s GLY 143 CO 0.03 -0.49 -0.00 -0.42 0.00 0.00 0.00 173.10 172.22 2bqr s ILE 144 N -0.26 0.25 0.18 0.90 1.01 -0.57 0.25 121.20 122.95 2bqr s ILE 144 Ca 0.04 0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.70 2bqr s ILE 144 Cb -0.07 -0.36 0.03 0.00 0.01 0.00 0.00 42.46 42.07 2bqr s ILE 144 CO -0.00 0.18 0.42 -0.24 0.00 0.00 0.00 174.94 175.30 2bqr n SER 145 N 4.45 -1.10 0.24 3.58 2.88 -0.70 -0.77 113.62 122.19 2bqr n SER 145 Ca -0.20 -1.73 0.11 0.00 -1.33 0.00 0.00 58.87 55.72 2bqr n SER 145 Cb 0.50 1.82 0.56 0.00 -0.75 0.00 0.00 64.21 66.34 2bqr n SER 145 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2bqr h LYS 146 N 0.00 0.00 -4.37 -1.46 2.10 -1.78 0.19 116.57 111.26 2bqr h LYS 146 Ca -0.16 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.27 2bqr h LYS 146 Cb 0.61 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.81 2bqr h LYS 146 CO 0.21 0.20 -0.46 0.54 -2.00 0.00 0.00 179.45 177.93 2bqr s ASN 147 N -6.18 0.27 0.17 7.07 2.20 -1.26 -4.41 114.94 112.80 2bqr s ASN 147 Ca -0.01 -1.32 -0.14 0.00 -0.94 0.00 0.00 52.86 50.45 2bqr s ASN 147 Cb 0.11 0.46 0.11 0.00 -2.00 0.00 0.00 41.25 39.94 2bqr s ASN 147 CO 0.62 -0.96 1.76 0.11 -2.94 0.00 0.00 177.10 175.69 2bqr h LYS 148 N 2.46 0.35 0.18 3.55 1.57 -1.89 -1.47 116.57 121.32 2bqr h LYS 148 Ca -0.32 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.45 2bqr h LYS 148 Cb 1.25 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 2bqr h LYS 148 CO 0.47 0.23 -0.22 0.28 -0.57 0.00 0.00 179.45 179.64 2bqr h VAL 149 N 0.36 0.51 0.00 0.50 2.07 -1.96 -1.63 116.25 116.10 2bqr h VAL 149 Ca 0.20 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.67 2bqr h VAL 149 Cb 0.16 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2bqr h VAL 149 CO -0.18 0.00 -0.21 -0.26 0.02 0.00 0.00 177.57 176.93 2bqr h PHE 150 N -0.45 0.00 -0.12 1.57 -1.00 -1.95 -0.75 116.94 114.24 2bqr h PHE 150 Ca 0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 2bqr h PHE 150 Cb 0.44 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 2bqr h PHE 150 CO -0.18 0.21 0.05 0.00 -1.61 0.00 0.00 178.31 176.78 2bqr h ALA 151 N 1.79 0.16 -0.72 2.45 0.00 -0.82 -0.35 119.26 121.76 2bqr h ALA 151 Ca -0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2bqr h ALA 151 Cb 0.61 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2bqr h ALA 151 CO 0.03 -0.25 0.24 -0.22 0.00 0.00 0.00 179.25 179.05 2bqr h LYS 152 N 0.04 1.11 -0.59 0.00 3.64 -0.83 -2.10 116.57 117.84 2bqr h LYS 152 Ca 0.04 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 2bqr h LYS 152 Cb 0.18 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2bqr h LYS 152 CO -0.00 0.94 0.23 0.82 -2.27 0.00 0.00 179.45 179.17 2bqr h ILE 153 N 1.06 1.21 -0.13 2.00 2.04 -0.94 -0.78 117.51 121.96 2bqr h ILE 153 Ca 0.23 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.45 2bqr h ILE 153 Cb 0.28 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2bqr h ILE 153 CO -0.01 0.26 0.01 0.00 0.00 0.00 0.00 178.15 178.42 2bqr h ALA 154 N 1.41 0.12 -0.63 1.87 0.00 -0.41 -2.06 119.26 119.57 2bqr h ALA 154 Ca 0.20 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2bqr h ALA 154 Cb 0.17 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2bqr h ALA 154 CO -0.02 -0.44 0.09 0.00 0.00 0.00 0.00 179.25 178.89 2bqr h ALA 155 N 1.10 0.83 -0.53 0.00 0.00 -1.07 -1.38 119.26 118.21 2bqr h ALA 155 Ca 0.06 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.82 2bqr h ALA 155 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2bqr h ALA 155 CO -0.09 0.60 0.37 -0.44 0.00 0.00 0.00 179.25 179.69 2bqr h ASP 156 N 0.95 0.17 0.88 0.00 3.32 -0.71 0.10 116.42 121.14 2bqr h ASP 156 Ca 0.19 0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.05 2bqr h ASP 156 Cb 0.44 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 2bqr h ASP 156 CO 0.01 0.10 -1.20 0.24 -1.72 0.00 0.00 179.24 176.67 2bqr h MET 157 N 0.19 0.00 0.00 3.56 2.86 -0.80 -3.36 114.93 117.37 2bqr h MET 157 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2bqr h MET 157 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 2bqr h MET 157 CO -0.04 0.55 -0.83 0.00 1.06 0.00 0.00 176.91 177.65 2bqr n ALA 158 N -2.39 3.14 -1.56 6.32 0.00 -0.32 -4.94 120.51 120.76 2bqr n ALA 158 Ca -0.07 -0.32 -0.34 0.00 0.00 0.00 0.00 53.44 52.71 2bqr n ALA 158 Cb 0.89 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 19.31 2bqr n ALA 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2bqr s LYS 159 N -3.19 2.88 0.59 0.00 -2.85 0.20 -3.25 119.74 114.13 2bqr s LYS 159 Ca 0.05 1.46 -0.04 0.00 -1.00 0.00 0.00 55.97 56.44 2bqr s LYS 159 Cb 0.14 -1.96 0.03 0.00 -2.06 0.00 0.00 37.83 33.98 2bqr s LYS 159 CO 0.76 -1.20 0.87 -1.25 0.10 0.00 0.00 175.35 174.63 2bqr s PRO 160 N -3.91 2.68 -1.68 1.78 0.04 -1.26 -4.90 135.00 127.75 2bqr s PRO 160 Ca 0.69 -0.30 -0.18 0.00 0.04 0.00 0.00 61.00 61.25 2bqr s PRO 160 Cb -0.22 -2.33 0.18 0.00 0.04 0.00 0.00 34.50 32.17 2bqr s PRO 160 CO 0.39 -0.77 0.44 -1.71 0.04 0.00 0.00 177.00 175.38 2bqr n ASN 161 N -2.54 -1.17 -3.42 6.66 5.15 -1.26 -4.90 115.26 113.77 2bqr n ASN 161 Ca 0.06 -1.16 -0.17 0.00 -0.60 0.00 0.00 54.58 52.71 2bqr n ASN 161 Cb 0.59 -1.47 -0.03 0.00 -0.53 0.00 0.00 39.78 38.33 2bqr n ASN 161 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bqr n GLY 162 N -1.30 3.80 3.55 8.20 0.00 -1.20 -4.93 105.19 113.31 2bqr n GLY 162 Ca 0.03 -2.29 -0.11 0.00 0.00 0.00 0.00 46.02 43.65 2bqr n GLY 162 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2bqr s ILE 163 N -1.93 -0.00 -0.06 -0.61 2.07 -1.26 -1.12 121.20 118.29 2bqr s ILE 163 Ca 0.01 0.01 -0.16 0.00 -1.41 0.00 0.00 60.65 59.10 2bqr s ILE 163 Cb -0.00 -0.91 0.03 0.00 0.13 0.00 0.00 42.46 41.72 2bqr s ILE 163 CO 0.01 0.00 0.37 -0.75 -1.91 0.00 0.00 174.94 172.66 2bqr s LYS 164 N 0.99 0.65 -0.06 3.50 2.20 -0.64 -4.95 119.74 121.42 2bqr s LYS 164 Ca -0.05 0.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.67 2bqr s LYS 164 Cb -0.05 0.30 -0.02 0.00 -1.51 0.00 0.00 37.83 36.54 2bqr s LYS 164 CO -0.09 -0.16 -0.16 0.08 -0.36 0.00 0.00 175.35 174.66 2bqr s VAL 165 N -0.85 2.92 -0.39 4.02 1.01 -1.26 -1.51 120.40 124.34 2bqr s VAL 165 Ca -0.09 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.16 2bqr s VAL 165 Cb -0.04 -2.15 0.11 0.00 0.00 0.00 0.00 36.38 34.30 2bqr s VAL 165 CO 0.04 0.58 0.11 -0.63 0.00 0.00 0.00 175.10 175.20 2bqr s ILE 166 N -0.49 2.41 0.78 2.22 1.01 0.05 -4.97 121.20 122.21 2bqr s ILE 166 Ca 0.06 -2.59 -0.11 0.00 0.00 0.00 0.00 60.65 58.01 2bqr s ILE 166 Cb -0.12 -2.75 0.06 0.00 0.01 0.00 0.00 42.46 39.66 2bqr s ILE 166 CO 0.02 -0.66 1.08 1.51 0.00 0.00 0.00 174.94 176.89 2bqr s ASP 167 N 0.64 4.62 0.40 3.58 1.47 -1.26 -4.40 116.67 121.73 2bqr s ASP 167 Ca 0.12 1.53 0.20 0.00 1.18 0.00 0.00 52.55 55.59 2bqr s ASP 167 Cb -0.21 -2.29 1.16 0.00 -0.34 0.00 0.00 42.92 41.24 2bqr s ASP 167 CO -0.06 -1.91 1.74 0.44 0.68 0.00 0.00 175.17 176.06 2bqr h ASP 168 N -1.05 0.41 -0.70 2.11 5.19 -1.99 0.22 116.42 120.62 2bqr h ASP 168 Ca -0.46 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 2bqr h ASP 168 Cb 1.24 0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.76 2bqr h ASP 168 CO 0.56 0.03 0.44 -0.08 -3.12 0.00 0.00 179.24 177.07 2bqr h GLU 169 N 0.34 0.94 0.00 3.56 4.81 -2.01 -2.55 114.58 119.66 2bqr h GLU 169 Ca 0.64 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.80 2bqr h GLU 169 Cb 1.70 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.88 2bqr h GLU 169 CO -0.33 0.65 -0.19 1.49 -0.73 0.00 0.00 179.01 179.89 2bqr h GLU 170 N 0.95 0.00 -0.19 1.92 4.81 -0.98 -3.18 114.58 117.92 2bqr h GLU 170 Ca 0.25 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 2bqr h GLU 170 Cb -0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2bqr h GLU 170 CO -0.05 0.00 -0.01 0.28 -0.73 0.00 0.00 179.01 178.50 2bqr h VAL 171 N 0.00 1.26 -0.24 0.32 2.07 -0.75 -1.07 116.25 117.85 2bqr h VAL 171 Ca 0.00 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 2bqr h VAL 171 Cb 0.96 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2bqr h VAL 171 CO 0.00 0.27 -0.06 0.11 0.02 0.00 0.00 177.57 177.91 2bqr h LYS 172 N 0.08 0.37 -0.11 1.57 1.79 -1.55 -1.75 116.57 116.97 2bqr h LYS 172 Ca 0.05 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 2bqr h LYS 172 Cb 0.41 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2bqr h LYS 172 CO 0.01 0.45 -0.02 -0.09 -1.08 0.00 0.00 179.45 178.72 2bqr h ARG 173 N 0.36 0.21 -0.76 3.15 2.43 -1.47 -3.21 114.38 115.08 2bqr h ARG 173 Ca 0.08 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2bqr h ARG 173 Cb 0.34 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 2bqr h ARG 173 CO 0.02 0.51 0.27 -0.07 -1.51 0.00 0.00 179.97 179.19 2bqr h LEU 174 N -0.11 1.08 -0.95 3.80 3.38 -0.93 0.12 115.31 121.71 2bqr h LEU 174 Ca 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2bqr h LEU 174 Cb 0.43 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2bqr h LEU 174 CO 0.01 0.98 0.23 -0.38 0.09 0.00 0.00 178.44 179.37 2bqr n ILE 175 N -4.28 0.74 -0.05 1.22 5.41 -0.68 0.73 119.36 122.45 2bqr n ILE 175 Ca 0.06 0.73 -0.06 0.00 1.00 0.00 0.00 62.75 64.49 2bqr n ILE 175 Cb 0.21 -1.73 -0.06 0.00 -0.71 0.00 0.00 39.64 37.35 2bqr n ILE 175 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2bqr n ARG 176 N -2.06 1.51 -0.04 0.38 0.63 -0.41 -0.93 116.66 115.75 2bqr n ARG 176 Ca -0.01 0.03 0.04 0.00 -0.92 0.00 0.00 57.85 56.98 2bqr n ARG 176 Cb 0.25 -1.21 -0.16 0.00 0.45 0.00 0.00 32.46 31.79 2bqr n ARG 176 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2bqr n GLU 177 N -2.54 0.71 -2.10 -0.14 0.28 0.30 -4.85 120.64 112.29 2bqr n GLU 177 Ca -0.16 -0.13 -0.42 0.00 -0.16 0.00 0.00 57.16 56.29 2bqr n GLU 177 Cb 0.73 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 32.08 2bqr n GLU 177 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2bqr s LEU 178 N -4.78 4.36 -0.07 -1.84 2.96 0.22 -4.94 118.68 114.58 2bqr s LEU 178 Ca -0.08 2.36 -0.29 0.00 -0.22 0.00 0.00 54.13 55.89 2bqr s LEU 178 Cb 0.11 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.15 2bqr s LEU 178 CO 0.84 -0.74 1.92 -0.62 -1.32 0.00 0.00 176.35 176.43 2bqr s ASP 179 N 1.50 6.26 0.46 3.68 -1.08 -1.26 -3.92 116.67 122.31 2bqr s ASP 179 Ca 0.67 2.28 0.32 0.00 -0.52 0.00 0.00 52.55 55.30 2bqr s ASP 179 Cb -0.37 -2.53 1.44 0.00 -1.46 0.00 0.00 42.92 40.00 2bqr s ASP 179 CO 0.30 -1.26 1.65 -0.29 0.52 0.00 0.00 175.17 176.09 2bqr h ILE 180 N 6.02 0.18 0.00 4.11 6.09 -1.74 0.91 117.51 133.09 2bqr h ILE 180 Ca -0.44 -0.04 -0.01 0.00 -1.37 0.00 0.00 64.86 63.01 2bqr h ILE 180 Cb 1.22 0.07 -0.00 0.00 0.47 0.00 0.00 36.82 38.57 2bqr h ILE 180 CO 0.96 0.02 -0.04 0.00 -3.07 0.00 0.00 178.15 176.01 2bqr h ALA 181 N 1.51 1.12 -0.10 0.18 0.00 -1.88 -1.84 119.26 118.25 2bqr h ALA 181 Ca 0.78 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.66 2bqr h ALA 181 Cb 2.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.35 2bqr h ALA 181 CO -0.32 0.05 0.00 -0.25 0.00 0.00 0.00 179.25 178.73 2bqr n ASP 182 N -3.31 0.79 -4.67 0.00 8.00 0.32 -4.78 116.55 112.89 2bqr n ASP 182 Ca -0.02 -1.66 -0.41 0.00 0.71 0.00 0.00 54.79 53.41 2bqr n ASP 182 Cb 0.19 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.19 2bqr n ASP 182 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bqr s VAL 183 N -1.88 4.88 0.26 2.53 1.01 -0.69 -4.95 120.40 121.55 2bqr s VAL 183 Ca 0.25 1.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.59 2bqr s VAL 183 Cb 0.13 -4.15 -0.14 0.00 0.00 0.00 0.00 36.38 32.22 2bqr s VAL 183 CO 0.20 0.03 1.16 -2.65 0.00 0.00 0.00 175.10 173.84 2bqr n PRO 184 N 5.16 1.53 -0.16 2.72 -0.02 -1.26 -1.29 135.00 141.68 2bqr n PRO 184 Ca 0.05 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2bqr n PRO 184 Cb 0.49 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2bqr n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bqr n GLY 185 N 1.55 0.69 3.14 -1.23 0.00 -1.26 -5.01 105.19 103.07 2bqr n GLY 185 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2bqr n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bqr s ILE 186 N -2.42 3.57 0.10 -0.61 -1.09 -0.41 -5.01 121.20 115.33 2bqr s ILE 186 Ca 0.00 -2.06 -0.00 0.00 -2.23 0.00 0.00 60.65 56.36 2bqr s ILE 186 Cb 0.00 -3.41 0.02 0.00 -1.58 0.00 0.00 42.46 37.49 2bqr s ILE 186 CO 0.00 -0.73 0.14 0.61 -1.23 0.00 0.00 174.94 173.73 2bqr n GLY 187 N 4.58 0.75 0.36 6.18 0.00 -1.26 -4.77 105.19 111.04 2bqr n GLY 187 Ca -0.03 -1.97 -0.01 0.00 0.00 0.00 0.00 46.02 44.01 2bqr n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bqr h ASN 188 N -0.09 1.08 -0.59 1.61 2.35 -1.98 -0.79 115.58 117.17 2bqr h ASN 188 Ca -0.05 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 2bqr h ASN 188 Cb 0.18 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2bqr h ASN 188 CO 0.05 0.76 -0.00 0.40 -1.65 0.00 0.00 177.43 176.99 2bqr h ILE 189 N 1.26 1.27 0.04 2.81 2.04 -2.00 -2.63 117.51 120.30 2bqr h ILE 189 Ca 0.37 -1.14 -0.25 0.00 1.00 0.00 0.00 64.86 64.84 2bqr h ILE 189 Cb -0.06 0.83 0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2bqr h ILE 189 CO -0.10 0.41 -1.04 0.74 0.00 0.00 0.00 178.15 178.16 2bqr h THR 190 N 0.94 1.40 -0.85 -0.27 2.02 -1.88 -3.00 112.91 111.26 2bqr h THR 190 Ca 0.17 -2.56 0.01 0.00 0.77 0.00 0.00 66.41 64.81 2bqr h THR 190 Cb 0.56 2.55 -0.04 0.00 -1.74 0.00 0.00 68.15 69.47 2bqr h THR 190 CO 0.03 0.76 0.56 0.00 0.37 0.00 0.00 175.52 177.25 2bqr h ALA 191 N 0.64 1.41 0.32 6.16 0.00 -1.11 -1.03 119.26 125.64 2bqr h ALA 191 Ca -0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2bqr h ALA 191 Cb 1.70 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2bqr h ALA 191 CO 0.18 0.54 -0.15 1.49 0.00 0.00 0.00 179.25 181.31 2bqr h GLU 192 N 1.13 -0.41 -0.55 0.00 4.81 -1.48 -1.71 114.58 116.38 2bqr h GLU 192 Ca 0.32 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.66 2bqr h GLU 192 Cb -0.10 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2bqr h GLU 192 CO -0.08 -0.21 0.37 0.87 -0.73 0.00 0.00 179.01 179.23 2bqr h LYS 193 N -0.52 0.39 -0.08 1.92 1.57 -1.29 -1.15 116.57 117.42 2bqr h LYS 193 Ca -0.04 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 2bqr h LYS 193 Cb 0.39 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2bqr h LYS 193 CO 0.07 0.26 -0.48 -0.07 -0.57 0.00 0.00 179.45 178.66 2bqr h LEU 194 N 0.40 0.22 -0.30 2.94 3.38 -0.68 -3.18 115.31 118.10 2bqr h LEU 194 Ca 0.25 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 2bqr h LEU 194 Cb 0.44 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2bqr h LEU 194 CO -0.06 0.67 -0.19 0.11 0.09 0.00 0.00 178.44 179.05 2bqr h LYS 195 N 0.16 0.66 0.00 1.13 1.57 -0.32 -1.18 116.57 118.59 2bqr h LYS 195 Ca 0.01 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2bqr h LYS 195 Cb 0.91 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 2bqr h LYS 195 CO 0.07 0.90 -0.00 0.87 -0.57 0.00 0.00 179.45 180.72 2bqr h LYS 196 N 0.40 0.00 -0.01 3.15 1.57 -1.49 0.48 116.57 120.68 2bqr h LYS 196 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2bqr h LYS 196 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2bqr h LYS 196 CO 0.05 0.00 -0.17 1.28 -0.57 0.00 0.00 179.45 180.04 2bqr n LEU 197 N -3.28 1.52 0.00 2.94 4.77 -1.06 -4.92 117.00 116.97 2bqr n LEU 197 Ca -0.03 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2bqr n LEU 197 Cb 0.08 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2bqr n LEU 197 CO 0.22 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2bqr n GLY 198 N 1.30 1.71 3.60 -0.72 0.00 0.17 -4.99 105.19 106.25 2bqr n GLY 198 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2bqr n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bqr s ILE 199 N -3.10 3.94 -0.01 -0.61 1.01 -0.47 -4.83 121.20 117.13 2bqr s ILE 199 Ca 0.00 0.96 0.06 0.00 0.00 0.00 0.00 60.65 61.67 2bqr s ILE 199 Cb 0.00 -4.25 -0.10 0.00 0.01 0.00 0.00 42.46 38.12 2bqr s ILE 199 CO 0.00 -0.79 0.14 0.59 0.00 0.00 0.00 174.94 174.88 2bqr n ASN 200 N 8.70 3.52 -4.24 3.58 3.02 -1.26 -3.95 115.26 124.64 2bqr n ASN 200 Ca 0.16 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.57 2bqr n ASN 200 Cb 0.48 1.27 -0.10 0.00 -0.61 0.00 0.00 39.78 40.82 2bqr n ASN 200 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2bqr s LYS 201 N -2.44 1.04 0.16 3.52 -0.14 -1.26 -2.07 119.74 118.55 2bqr s LYS 201 Ca -0.02 -1.45 -0.20 0.00 -1.36 0.00 0.00 55.97 52.94 2bqr s LYS 201 Cb 0.04 -0.53 0.08 0.00 -1.68 0.00 0.00 37.83 35.74 2bqr s LYS 201 CO 0.27 0.04 1.64 -0.07 -0.76 0.00 0.00 175.35 176.47 2bqr h LEU 202 N 2.79 -0.65 -0.76 3.17 3.38 -1.68 -2.30 115.31 119.26 2bqr h LEU 202 Ca -0.36 0.15 0.18 0.00 0.09 0.00 0.00 57.88 57.93 2bqr h LEU 202 Cb 1.19 0.35 -0.12 0.00 0.09 0.00 0.00 40.66 42.16 2bqr h LEU 202 CO 0.64 -0.23 0.12 1.62 0.09 0.00 0.00 178.44 180.68 2bqr h VAL 203 N -0.14 0.41 -1.30 1.22 3.04 -1.37 -1.26 116.25 116.85 2bqr h VAL 203 Ca 0.18 -0.06 0.38 0.00 -1.01 0.00 0.00 66.70 66.18 2bqr h VAL 203 Cb 0.41 0.21 -0.05 0.00 -2.01 0.00 0.00 31.29 29.85 2bqr h VAL 203 CO -0.45 0.03 0.94 0.44 -1.01 0.00 0.00 177.57 177.52 2bqr h ASP 204 N 0.19 0.01 0.20 3.17 5.19 -1.71 0.28 116.42 123.75 2bqr h ASP 204 Ca 0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.85 2bqr h ASP 204 Cb 0.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.30 2bqr h ASP 204 CO -0.60 0.00 0.00 0.71 -3.12 0.00 0.00 179.24 176.23 2bqr h THR 205 N 0.01 0.00 0.00 0.35 1.35 -1.34 -1.27 112.91 112.01 2bqr h THR 205 Ca 0.62 -0.08 -0.20 0.00 -0.55 0.00 0.00 66.41 66.20 2bqr h THR 205 Cb 2.48 0.76 -0.03 0.00 -1.73 0.00 0.00 68.15 69.63 2bqr h THR 205 CO -0.02 0.00 -0.95 -0.07 -0.25 0.00 0.00 175.52 174.23 2bqr h LEU 206 N 0.00 0.00 -1.87 3.87 3.38 -0.63 -3.28 115.31 116.78 2bqr h LEU 206 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2bqr h LEU 206 Cb 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2bqr h LEU 206 CO 0.00 0.95 0.05 -1.54 0.09 0.00 0.00 178.44 178.00 2bqr n SER 207 N -3.34 2.44 -3.90 -0.43 3.41 -0.48 -4.78 113.62 106.55 2bqr n SER 207 Ca 0.00 -2.24 -0.16 0.00 -0.26 0.00 0.00 58.87 56.21 2bqr n SER 207 Cb 0.92 -0.55 -0.15 0.00 -0.26 0.00 0.00 64.21 64.17 2bqr n SER 207 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2bqr s ILE 208 N -1.08 0.27 -0.20 -1.33 1.01 -1.24 -5.10 121.20 113.54 2bqr s ILE 208 Ca 0.11 -0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 2bqr s ILE 208 Cb 0.09 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 2bqr s ILE 208 CO 0.03 0.11 1.87 -1.61 0.00 0.00 0.00 174.94 175.34 2bqr s GLU 209 N 0.30 3.58 0.24 2.79 0.41 -1.26 -4.85 118.70 119.91 2bqr s GLU 209 Ca -0.03 1.88 0.14 0.00 -0.41 0.00 0.00 54.97 56.55 2bqr s GLU 209 Cb -0.06 -4.18 0.86 0.00 -1.78 0.00 0.00 34.13 28.97 2bqr s GLU 209 CO -0.01 -1.57 1.00 0.34 -0.49 0.00 0.00 175.26 174.53 2bqr n PHE 210 N 9.53 0.71 0.24 1.61 7.35 -1.26 0.28 117.46 135.92 2bqr n PHE 210 Ca 0.23 0.71 0.07 0.00 -0.76 0.00 0.00 57.45 57.71 2bqr n PHE 210 Cb 0.45 -1.14 0.59 0.00 0.35 0.00 0.00 39.48 39.72 2bqr n PHE 210 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2bqr h ASP 211 N 0.00 0.00 0.92 -2.13 3.32 -1.99 0.32 116.42 116.86 2bqr h ASP 211 Ca 0.54 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.37 2bqr h ASP 211 Cb 1.46 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.99 2bqr h ASP 211 CO -0.47 0.14 -1.02 0.50 -1.72 0.00 0.00 179.24 176.68 2bqr h LYS 212 N 0.00 0.05 -0.09 3.56 1.63 -0.55 -2.72 116.57 118.45 2bqr h LYS 212 Ca -0.00 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.70 2bqr h LYS 212 Cb 0.26 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2bqr h LYS 212 CO 0.02 1.01 -0.05 1.25 -3.45 0.00 0.00 179.45 178.24 2bqr h LEU 213 N 0.01 0.19 -1.40 5.20 5.85 -1.19 -1.82 115.31 122.16 2bqr h LEU 213 Ca -0.03 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.28 2bqr h LEU 213 Cb 1.76 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.71 2bqr h LEU 213 CO 0.14 0.57 0.41 0.50 -0.34 0.00 0.00 178.44 179.73 2bqr h LYS 214 N -0.19 0.80 -0.46 1.25 3.64 -0.48 -0.89 116.57 120.25 2bqr h LYS 214 Ca 0.02 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.21 2bqr h LYS 214 Cb 0.50 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2bqr h LYS 214 CO 0.01 0.53 -0.25 0.78 -2.27 0.00 0.00 179.45 178.25 2bqr h GLY 215 N 0.83 1.05 0.58 5.01 0.00 -1.32 -0.51 103.07 108.71 2bqr h GLY 215 Ca 0.23 -0.96 -0.14 0.00 0.00 0.00 0.00 47.33 46.46 2bqr h GLY 215 CO -0.05 0.87 -0.61 1.98 0.00 0.00 0.00 176.54 178.73 2bqr h MET 216 N 0.83 0.26 -0.02 4.80 1.85 -0.79 -3.40 114.93 118.46 2bqr h MET 216 Ca 0.10 -0.40 0.00 0.00 -0.61 0.00 0.00 59.70 58.79 2bqr h MET 216 Cb 0.83 0.14 0.00 0.00 0.43 0.00 0.00 31.60 33.00 2bqr h MET 216 CO 0.07 1.16 0.00 0.44 -0.40 0.00 0.00 176.91 178.18 2bqr n ILE 217 N -4.24 1.07 0.00 1.77 -5.35 -0.39 -5.07 119.36 107.15 2bqr n ILE 217 Ca -0.12 -1.10 0.00 0.00 -0.27 0.00 0.00 62.75 61.26 2bqr n ILE 217 Cb 0.72 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 39.06 2bqr n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bqr n GLY 218 N -0.51 -0.12 0.10 3.28 0.00 -0.20 -4.32 105.19 103.42 2bqr n GLY 218 Ca 0.02 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 2bqr n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bqr h GLU 219 N 0.00 0.21 -0.14 1.61 4.81 -1.88 -2.13 114.58 117.06 2bqr h GLU 219 Ca 0.00 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2bqr h GLU 219 Cb 0.00 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 2bqr h GLU 219 CO 0.00 0.41 -0.14 0.00 -0.73 0.00 0.00 179.01 178.55 2bqr h ALA 220 N 0.78 -0.06 -0.15 2.92 0.00 -1.95 0.11 119.26 120.92 2bqr h ALA 220 Ca 0.04 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2bqr h ALA 220 Cb 0.31 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2bqr h ALA 220 CO 0.00 -0.59 -0.18 0.87 0.00 0.00 0.00 179.25 179.35 2bqr h LYS 221 N -0.17 0.25 0.32 0.00 1.79 -1.75 -1.78 116.57 115.23 2bqr h LYS 221 Ca 0.09 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 2bqr h LYS 221 Cb 0.31 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2bqr h LYS 221 CO -0.24 0.43 -0.16 0.00 -1.08 0.00 0.00 179.45 178.41 2bqr h ALA 222 N 1.59 -0.44 -0.64 3.86 0.00 -0.60 -2.01 119.26 121.02 2bqr h ALA 222 Ca 0.04 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2bqr h ALA 222 Cb 0.46 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2bqr h ALA 222 CO 0.03 -0.55 0.43 0.87 0.00 0.00 0.00 179.25 180.02 2bqr h LYS 223 N -0.82 0.71 0.83 0.00 1.57 -0.77 -1.35 116.57 116.75 2bqr h LYS 223 Ca -0.04 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 2bqr h LYS 223 Cb 0.52 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.68 2bqr h LYS 223 CO 0.07 0.47 -0.40 -0.92 -0.57 0.00 0.00 179.45 178.11 2bqr h TYR 224 N 0.74 -1.04 -0.66 -1.35 3.20 -1.26 -1.23 116.97 115.37 2bqr h TYR 224 Ca 0.26 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2bqr h TYR 224 Cb 0.12 0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 2bqr h TYR 224 CO -0.00 -0.64 0.39 -0.07 -1.64 0.00 0.00 178.16 176.19 2bqr h LEU 225 N -1.13 0.81 -0.80 2.82 3.38 -1.15 -2.44 115.31 116.80 2bqr h LEU 225 Ca -0.11 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2bqr h LEU 225 Cb 0.86 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 2bqr h LEU 225 CO 0.19 0.64 0.52 0.40 0.09 0.00 0.00 178.44 180.28 2bqr h ILE 226 N 0.90 1.21 0.00 1.22 2.04 -1.24 -0.39 117.51 121.25 2bqr h ILE 226 Ca 0.24 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 2bqr h ILE 226 Cb -0.00 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 2bqr h ILE 226 CO -0.04 0.21 -0.37 0.77 0.00 0.00 0.00 178.15 178.72 2bqr h SER 227 N 1.09 0.00 0.45 1.72 4.64 -1.00 -0.37 113.55 120.07 2bqr h SER 227 Ca 0.29 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.40 2bqr h SER 227 Cb -0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2bqr h SER 227 CO -0.06 0.37 -0.89 -0.07 -0.87 0.00 0.00 176.83 175.31 2bqr h LEU 228 N 0.00 0.40 -0.41 5.97 3.38 -0.91 0.22 115.31 123.96 2bqr h LEU 228 Ca -0.00 -0.31 -0.17 0.00 0.09 0.00 0.00 57.88 57.48 2bqr h LEU 228 Cb 0.73 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2bqr h LEU 228 CO 0.05 1.11 -0.52 0.00 0.09 0.00 0.00 178.44 179.16 2bqr h ALA 229 N 0.87 0.59 0.00 1.53 0.00 -0.69 -2.63 119.26 118.92 2bqr h ALA 229 Ca -0.06 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2bqr h ALA 229 Cb 1.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2bqr h ALA 229 CO 0.15 0.68 0.00 0.54 0.00 0.00 0.00 179.25 180.62 2bqr n ARG 230 N -4.00 0.09 -3.25 0.00 1.74 -0.19 -4.90 116.66 106.16 2bqr n ARG 230 Ca -0.03 0.02 -0.16 0.00 -0.77 0.00 0.00 57.85 56.91 2bqr n ARG 230 Cb 0.60 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.60 2bqr n ARG 230 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2bqr n ASP 231 N -1.45 -4.97 -0.11 0.55 -0.08 -0.66 -4.92 116.55 104.91 2bqr n ASP 231 Ca 0.08 -0.37 0.06 0.00 -1.51 0.00 0.00 54.79 53.05 2bqr n ASP 231 Cb 0.30 -3.61 0.08 0.00 2.34 0.00 0.00 41.12 40.23 2bqr n ASP 231 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2bqr n GLU 232 N -3.59 1.46 -2.44 -0.67 1.02 0.69 -5.01 120.64 112.10 2bqr n GLU 232 Ca 0.00 -1.97 -0.43 0.00 -0.02 0.00 0.00 57.16 54.75 2bqr n GLU 232 Cb 0.54 -1.18 -0.02 0.00 -0.02 0.00 0.00 31.44 30.76 2bqr n GLU 232 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2bqr s TYR 233 N -1.85 2.84 -0.38 -0.32 5.04 -0.94 -4.91 117.35 116.84 2bqr s TYR 233 Ca 0.18 1.00 0.12 0.00 -2.44 0.00 0.00 57.07 55.93 2bqr s TYR 233 Cb 0.16 -3.58 0.38 0.00 0.35 0.00 0.00 41.96 39.27 2bqr s TYR 233 CO 0.02 -1.64 0.97 -1.71 -1.34 0.00 0.00 175.55 171.85 2bqr n ASN 234 N 6.82 -0.15 -4.74 4.32 5.15 -1.26 -4.83 115.26 120.57 2bqr n ASN 234 Ca 0.14 -3.01 -0.41 0.00 -0.60 0.00 0.00 54.58 50.70 2bqr n ASN 234 Cb 0.45 0.23 -0.03 0.00 -0.53 0.00 0.00 39.78 39.90 2bqr n ASN 234 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2bqr s GLU 235 N -1.59 4.47 0.82 1.20 0.41 -1.26 -5.01 118.70 117.73 2bqr s GLU 235 Ca 0.30 1.91 -0.12 0.00 -0.41 0.00 0.00 54.97 56.66 2bqr s GLU 235 Cb 0.37 -3.23 0.08 0.00 -1.78 0.00 0.00 34.13 29.57 2bqr s GLU 235 CO -0.04 -0.12 1.10 -1.25 -0.49 0.00 0.00 175.26 174.46 2bqr s PRO 236 N -0.24 1.91 -0.35 0.39 0.04 -1.26 -4.64 135.00 130.85 2bqr s PRO 236 Ca 0.53 0.60 -0.23 0.00 0.04 0.00 0.00 61.00 61.95 2bqr s PRO 236 Cb -0.33 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.31 2bqr s PRO 236 CO 0.37 -1.73 0.75 0.42 0.04 0.00 0.00 177.00 176.85 2bqr s ILE 237 N -3.16 4.78 -0.02 0.56 1.09 -1.26 -5.05 121.20 118.14 2bqr s ILE 237 Ca 0.61 0.85 0.08 0.00 -1.10 0.00 0.00 60.65 61.09 2bqr s ILE 237 Cb -0.15 -4.17 -0.02 0.00 -1.06 0.00 0.00 42.46 37.06 2bqr s ILE 237 CO 0.54 -0.38 -0.25 -0.60 -0.10 0.00 0.00 174.94 174.15 2bqr s ARG 238 N 2.99 2.15 -0.10 2.79 3.52 -1.26 -4.75 118.95 124.29 2bqr s ARG 238 Ca 0.30 -0.90 -0.30 0.00 -0.13 0.00 0.00 55.73 54.70 2bqr s ARG 238 Cb -0.14 -2.08 -0.03 0.00 -1.56 0.00 0.00 34.95 31.14 2bqr s ARG 238 CO 0.16 0.57 1.37 0.99 -0.81 0.00 0.00 175.30 177.58 2bqr s THR 239 N -0.63 4.02 -0.11 4.11 2.01 -1.26 -4.44 115.64 119.34 2bqr s THR 239 Ca 0.10 1.28 -0.05 0.00 0.31 0.00 0.00 61.69 63.33 2bqr s THR 239 Cb -0.10 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2bqr s THR 239 CO -0.01 -0.09 0.07 -0.13 -0.69 0.00 0.00 174.62 173.78 2bqr s ARG 240 N 3.33 3.31 0.12 4.92 0.52 -1.26 -5.08 118.95 124.81 2bqr s ARG 240 Ca 0.61 -0.28 0.10 0.00 -0.52 0.00 0.00 55.73 55.64 2bqr s ARG 240 Cb -0.26 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 2bqr s ARG 240 CO 0.21 0.68 -0.22 0.08 0.02 0.00 0.00 175.30 176.07 2bqr s VAL 241 N -0.79 2.57 0.15 3.52 1.01 -1.26 -4.95 120.40 120.65 2bqr s VAL 241 Ca 0.13 -1.59 -0.34 0.00 0.00 0.00 0.00 61.98 60.18 2bqr s VAL 241 Cb -0.12 -2.15 -0.16 0.00 0.00 0.00 0.00 36.38 33.96 2bqr s VAL 241 CO 0.03 0.12 1.27 0.54 0.00 0.00 0.00 175.10 177.06 2bqr n ARG 242 N 0.92 1.32 0.00 2.72 5.12 -1.26 -4.87 116.66 120.62 2bqr n ARG 242 Ca -0.17 0.47 0.01 0.00 -1.93 0.00 0.00 57.85 56.24 2bqr n ARG 242 Cb 0.53 -2.05 -0.01 0.00 -1.16 0.00 0.00 32.46 29.76 2bqr n ARG 242 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2bqr n LYS 243 N 2.14 6.18 -3.67 5.56 5.02 -1.26 -5.00 118.16 127.13 2bqr n LYS 243 Ca 0.16 -0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.30 2bqr n LYS 243 Cb 0.24 -0.62 -0.07 0.00 -0.02 0.00 0.00 35.03 34.56 2bqr n LYS 243 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2bqr s SER 244 N -1.23 -0.36 -0.13 4.39 0.15 -1.26 -3.75 113.70 111.52 2bqr s SER 244 Ca 0.01 0.29 -0.06 0.00 0.70 0.00 0.00 55.95 56.89 2bqr s SER 244 Cb 0.02 0.40 0.05 0.00 -1.71 0.00 0.00 66.02 64.78 2bqr s SER 244 CO 0.10 -0.52 0.29 -0.63 1.20 0.00 0.00 173.24 173.68 2bqr s ILE 245 N -1.39 -0.09 0.19 6.45 1.01 -0.55 -5.01 121.20 121.81 2bqr s ILE 245 Ca -0.12 0.15 -0.12 0.00 0.00 0.00 0.00 60.65 60.56 2bqr s ILE 245 Cb -0.03 -0.45 0.05 0.00 0.01 0.00 0.00 42.46 42.04 2bqr s ILE 245 CO 0.06 0.06 0.61 0.61 0.00 0.00 0.00 174.94 176.28 2bqr n GLY 246 N 4.38 1.06 3.48 6.18 0.00 -1.26 -0.76 105.19 118.27 2bqr n GLY 246 Ca -0.23 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.52 2bqr n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bqr s ARG 247 N -2.05 0.84 -0.03 1.61 6.06 -0.37 -4.91 118.95 120.10 2bqr s ARG 247 Ca 0.13 0.47 0.01 0.00 -2.50 0.00 0.00 55.73 53.85 2bqr s ARG 247 Cb -0.03 0.40 0.02 0.00 0.06 0.00 0.00 34.95 35.40 2bqr s ARG 247 CO 0.06 -0.19 -0.04 0.42 -2.50 0.00 0.00 175.30 173.04 2bqr s ILE 248 N -0.49 0.48 0.37 4.11 1.01 -1.26 -1.47 121.20 123.95 2bqr s ILE 248 Ca -0.06 -0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.54 2bqr s ILE 248 Cb -0.03 -0.49 -0.06 0.00 0.01 0.00 0.00 42.46 41.90 2bqr s ILE 248 CO 0.05 0.19 0.05 0.68 0.00 0.00 0.00 174.94 175.91 2bqr s VAL 249 N 0.67 2.41 0.00 2.92 -7.23 -0.53 -4.97 120.40 113.67 2bqr s VAL 249 Ca -0.09 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 2bqr s VAL 249 Cb -0.12 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 2bqr s VAL 249 CO -0.00 -0.11 0.01 -0.89 -0.31 0.00 0.00 175.10 173.80 2bqr s THR 250 N -2.58 4.24 0.28 5.32 2.01 -1.26 -1.99 115.64 121.66 2bqr s THR 250 Ca 0.36 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 2bqr s THR 250 Cb 0.03 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.58 2bqr s THR 250 CO 0.20 0.36 0.52 -0.04 -0.69 0.00 0.00 174.62 174.97 2bqr s MET 251 N -1.62 3.59 0.50 4.92 -1.94 -0.87 -4.97 119.30 118.90 2bqr s MET 251 Ca 0.20 -0.11 0.20 0.00 -1.71 0.00 0.00 55.69 54.28 2bqr s MET 251 Cb -0.12 -2.69 1.27 0.00 2.01 0.00 0.00 34.83 35.31 2bqr s MET 251 CO 0.11 0.24 2.01 -0.22 -0.01 0.00 0.00 175.02 177.15 2bqr h LYS 252 N 1.62 0.12 -1.86 2.03 1.63 -1.89 -3.43 116.57 114.78 2bqr h LYS 252 Ca -0.48 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.30 2bqr h LYS 252 Cb 1.19 -0.03 -0.21 0.00 -0.60 0.00 0.00 32.23 32.59 2bqr h LYS 252 CO 0.66 0.08 0.29 -0.98 -3.45 0.00 0.00 179.45 176.04 2bqr s ARG 253 N -5.14 0.87 0.93 1.90 1.70 -1.26 -4.66 118.95 113.29 2bqr s ARG 253 Ca -0.06 0.38 -0.12 0.00 -0.47 0.00 0.00 55.73 55.46 2bqr s ARG 253 Cb 0.19 0.41 0.08 0.00 -0.57 0.00 0.00 34.95 35.07 2bqr s ARG 253 CO 0.73 -0.24 0.73 0.09 -1.08 0.00 0.00 175.30 175.53 2bqr n ASN 254 N 1.25 -1.00 -3.64 -2.89 4.13 -1.26 -4.96 115.26 106.88 2bqr n ASN 254 Ca -0.16 0.38 -0.01 0.00 1.68 0.00 0.00 54.58 56.47 2bqr n ASN 254 Cb 0.57 -1.33 -0.00 0.00 -1.54 0.00 0.00 39.78 37.48 2bqr n ASN 254 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2bqr s SER 255 N -2.27 -0.08 0.00 6.41 0.15 -0.95 -4.90 113.70 112.06 2bqr s SER 255 Ca 0.62 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2bqr s SER 255 Cb -0.22 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2bqr s SER 255 CO 0.63 -0.63 0.26 0.54 1.20 0.00 0.00 173.24 175.24 2bqr n ARG 256 N -0.56 0.01 -2.74 5.44 1.74 -1.26 -0.67 116.66 118.62 2bqr n ARG 256 Ca -0.06 -0.27 -0.43 0.00 -0.77 0.00 0.00 57.85 56.33 2bqr n ARG 256 Cb 0.61 -0.51 -0.03 0.00 -1.02 0.00 0.00 32.46 31.51 2bqr n ARG 256 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2bqr s ASN 257 N -0.01 6.54 0.29 0.55 3.84 -1.26 -4.92 114.94 119.97 2bqr s ASN 257 Ca 0.00 0.23 0.03 0.00 0.21 0.00 0.00 52.86 53.33 2bqr s ASN 257 Cb 0.00 -2.49 0.72 0.00 -0.55 0.00 0.00 41.25 38.93 2bqr s ASN 257 CO 0.00 -1.13 1.68 0.25 -2.79 0.00 0.00 177.10 175.11 2bqr h LEU 258 N 10.82 0.20 -0.91 3.21 5.85 -1.99 -0.00 115.31 132.49 2bqr h LEU 258 Ca -0.24 0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 2bqr h LEU 258 Cb 1.07 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2bqr h LEU 258 CO 1.07 -0.06 -0.48 -0.33 -0.34 0.00 0.00 178.44 178.30 2bqr h GLU 259 N 0.32 0.15 0.00 1.25 4.39 -2.01 -1.06 114.58 117.63 2bqr h GLU 259 Ca 0.55 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 60.13 2bqr h GLU 259 Cb 1.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 2bqr h GLU 259 CO -0.57 0.60 -0.19 1.49 -1.16 0.00 0.00 179.01 179.18 2bqr h GLU 260 N 0.12 0.00 0.09 2.33 4.81 -1.47 -3.35 114.58 117.11 2bqr h GLU 260 Ca 0.01 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.92 2bqr h GLU 260 Cb 0.89 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 2bqr h GLU 260 CO 0.07 0.19 -1.72 0.82 -0.73 0.00 0.00 179.01 177.65 2bqr h ILE 261 N 0.00 0.75 -0.81 2.32 2.04 -0.96 -3.42 117.51 117.44 2bqr h ILE 261 Ca -0.00 -2.30 0.16 0.00 1.00 0.00 0.00 64.86 63.72 2bqr h ILE 261 Cb 1.15 2.43 -0.15 0.00 -0.74 0.00 0.00 36.82 39.50 2bqr h ILE 261 CO 0.03 0.69 -0.20 0.29 0.00 0.00 0.00 178.15 178.96 2bqr n LYS 262 N -3.83 -0.07 -0.14 2.37 5.02 -0.42 -1.36 118.16 119.73 2bqr n LYS 262 Ca -0.31 1.26 -0.04 0.00 -2.02 0.00 0.00 58.31 57.19 2bqr n LYS 262 Cb 0.92 -1.88 0.02 0.00 -0.02 0.00 0.00 35.03 34.07 2bqr n LYS 262 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2bqr h PRO 263 N 0.00 -0.08 -0.64 1.97 0.11 -1.80 0.43 132.00 131.99 2bqr h PRO 263 Ca 0.39 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.50 2bqr h PRO 263 Cb 0.59 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.69 2bqr h PRO 263 CO -0.83 -0.05 0.38 1.88 -0.21 0.00 0.00 178.00 179.17 2bqr h TYR 264 N -0.09 0.85 -0.30 0.65 0.05 -1.50 -0.18 116.97 116.45 2bqr h TYR 264 Ca 0.22 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.98 2bqr h TYR 264 Cb 0.42 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 2bqr h TYR 264 CO -0.44 0.58 0.15 1.25 -1.05 0.00 0.00 178.16 178.65 2bqr h LEU 265 N 0.87 0.39 -0.84 3.88 5.85 -0.84 -1.29 115.31 123.33 2bqr h LEU 265 Ca 0.23 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2bqr h LEU 265 Cb -0.02 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2bqr h LEU 265 CO -0.04 0.40 0.01 -0.26 -0.34 0.00 0.00 178.44 178.20 2bqr h PHE 266 N 0.36 0.93 -0.81 1.25 0.04 0.01 -1.20 116.94 117.52 2bqr h PHE 266 Ca 0.11 -0.14 0.02 0.00 2.80 0.00 0.00 57.97 60.76 2bqr h PHE 266 Cb 0.10 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 37.96 2bqr h PHE 266 CO -0.02 0.84 0.53 -0.09 -0.60 0.00 0.00 178.31 178.97 2bqr h ARG 267 N 0.81 1.02 -0.69 1.51 2.43 -0.77 0.12 114.38 118.80 2bqr h ARG 267 Ca 0.15 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2bqr h ARG 267 Cb 0.47 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 2bqr h ARG 267 CO 0.02 0.67 0.19 0.00 -1.51 0.00 0.00 179.97 179.35 2bqr h ALA 268 N 1.32 1.03 -0.36 2.80 0.00 -0.51 -2.01 119.26 121.54 2bqr h ALA 268 Ca 0.31 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2bqr h ALA 268 Cb -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2bqr h ALA 268 CO -0.09 0.64 -0.20 0.82 0.00 0.00 0.00 179.25 180.43 2bqr h ILE 269 N 1.03 1.29 -0.53 0.00 2.04 -0.27 -1.11 117.51 119.96 2bqr h ILE 269 Ca 0.22 -1.33 0.04 0.00 1.00 0.00 0.00 64.86 64.80 2bqr h ILE 269 Cb 0.32 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 2bqr h ILE 269 CO -0.00 0.44 0.28 -0.33 0.00 0.00 0.00 178.15 178.54 2bqr h GLU 270 N 0.55 0.54 -0.23 2.37 4.39 -0.61 0.13 114.58 121.72 2bqr h GLU 270 Ca 0.08 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.60 2bqr h GLU 270 Cb 0.74 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2bqr h GLU 270 CO 0.06 0.35 -0.46 0.93 -1.16 0.00 0.00 179.01 178.73 2bqr h GLU 271 N 0.55 0.58 -0.33 2.33 5.08 -1.32 -2.19 114.58 119.28 2bqr h GLU 271 Ca 0.23 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2bqr h GLU 271 Cb 0.11 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2bqr h GLU 271 CO -0.14 0.92 -0.01 0.77 -1.00 0.00 0.00 179.01 179.55 2bqr h SER 272 N 0.47 0.59 -0.62 1.42 0.02 -0.61 -2.29 113.55 112.52 2bqr h SER 272 Ca 0.03 -0.32 -0.04 0.00 -0.84 0.00 0.00 61.79 60.62 2bqr h SER 272 Cb 0.98 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 2bqr h SER 272 CO 0.09 0.76 0.24 1.88 -1.14 0.00 0.00 176.83 178.66 2bqr h TYR 273 N 0.40 0.98 -0.77 3.45 0.05 -0.69 -0.54 116.97 119.85 2bqr h TYR 273 Ca 0.09 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.82 2bqr h TYR 273 Cb 0.47 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 2bqr h TYR 273 CO 0.04 0.76 0.51 -0.92 -1.05 0.00 0.00 178.16 177.50 2bqr h TYR 274 N 0.94 0.94 0.00 4.88 3.20 -1.17 -1.51 116.97 124.26 2bqr h TYR 274 Ca 0.22 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 2bqr h TYR 274 Cb 0.21 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 2bqr h TYR 274 CO 0.02 0.58 -0.15 0.87 -1.64 0.00 0.00 178.16 177.84 2bqr h LYS 275 N 1.00 0.00 -0.45 1.82 1.57 -0.73 -3.11 116.57 116.67 2bqr h LYS 275 Ca 0.29 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 2bqr h LYS 275 Cb -0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2bqr h LYS 275 CO -0.07 0.15 0.05 -0.07 -0.57 0.00 0.00 179.45 178.94 2bqr h LEU 276 N 0.00 0.66 -1.24 2.94 3.38 -0.06 -3.48 115.31 117.52 2bqr h LEU 276 Ca -0.00 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2bqr h LEU 276 Cb 1.04 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2bqr h LEU 276 CO 0.02 0.70 -0.38 -0.67 0.09 0.00 0.00 178.44 178.20 2bqr n ASP 277 N -4.26 -2.33 0.00 -0.43 2.03 -1.11 -0.93 116.55 109.52 2bqr n ASP 277 Ca 0.03 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2bqr n ASP 277 Cb 0.25 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 2bqr n ASP 277 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2bqr n LYS 278 N 0.67 0.00 -2.96 -0.67 4.76 -1.26 -5.01 118.16 113.69 2bqr n LYS 278 Ca -0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.07 2bqr n LYS 278 Cb 0.19 -0.49 -0.06 0.00 -1.84 0.00 0.00 35.03 32.83 2bqr n LYS 278 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2bqr s ARG 279 N -0.19 4.37 -0.13 1.97 0.52 -0.10 -5.06 118.95 120.34 2bqr s ARG 279 Ca 0.00 1.05 0.01 0.00 -0.52 0.00 0.00 55.73 56.27 2bqr s ARG 279 Cb 0.00 -2.80 0.02 0.00 0.52 0.00 0.00 34.95 32.69 2bqr s ARG 279 CO 0.00 0.32 -0.14 0.42 0.02 0.00 0.00 175.30 175.93 2bqr s ILE 280 N -1.61 1.47 0.16 1.52 1.01 -1.26 -4.88 121.20 117.61 2bqr s ILE 280 Ca 0.47 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 2bqr s ILE 280 Cb -0.17 -1.37 -0.07 0.00 0.01 0.00 0.00 42.46 40.86 2bqr s ILE 280 CO 0.22 0.44 0.51 -2.16 0.00 0.00 0.00 174.94 173.95 2bqr s PRO 281 N 1.33 3.86 0.00 2.79 0.04 -1.26 -1.64 135.00 140.12 2bqr s PRO 281 Ca 0.01 0.33 0.17 0.00 0.04 0.00 0.00 61.00 61.55 2bqr s PRO 281 Cb -0.14 -2.85 -0.01 0.00 0.04 0.00 0.00 34.50 31.55 2bqr s PRO 281 CO -0.07 0.44 0.88 1.63 0.04 0.00 0.00 177.00 179.92 2bqr n LYS 282 N 0.48 1.62 -4.14 4.56 5.02 -0.77 -0.02 118.16 124.92 2bqr n LYS 282 Ca -0.04 -0.82 -0.15 0.00 -2.02 0.00 0.00 58.31 55.28 2bqr n LYS 282 Cb 0.52 -1.30 -0.13 0.00 -0.02 0.00 0.00 35.03 34.10 2bqr n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bqr s ALA 283 N -1.97 0.55 -0.01 7.82 0.00 -0.75 0.11 121.76 127.51 2bqr s ALA 283 Ca 0.14 -0.51 -0.00 0.00 0.00 0.00 0.00 51.96 51.59 2bqr s ALA 283 Cb 0.14 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.21 2bqr s ALA 283 CO 0.43 0.06 0.02 -1.50 0.00 0.00 0.00 175.76 174.77 2bqr s ILE 284 N -0.72 -0.01 -0.02 0.00 2.07 -0.93 -1.20 121.20 120.39 2bqr s ILE 284 Ca -0.03 0.04 0.03 0.00 -1.41 0.00 0.00 60.65 59.28 2bqr s ILE 284 Cb -0.06 -0.04 -0.00 0.00 0.13 0.00 0.00 42.46 42.48 2bqr s ILE 284 CO 0.00 0.02 -0.12 -1.00 -1.91 0.00 0.00 174.94 171.93 2bqr s HIS 285 N 0.21 1.15 -0.22 3.50 3.76 0.63 -2.10 115.29 122.21 2bqr s HIS 285 Ca -0.02 -0.26 -0.09 0.00 -0.15 0.00 0.00 55.06 54.54 2bqr s HIS 285 Cb -0.02 -0.77 -0.05 0.00 1.11 0.00 0.00 32.58 32.85 2bqr s HIS 285 CO -0.01 -0.06 0.12 0.08 -0.85 0.00 0.00 174.74 174.02 2bqr s VAL 286 N -0.10 5.10 -0.13 -0.90 1.01 -0.76 -0.31 120.40 124.32 2bqr s VAL 286 Ca 0.01 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 2bqr s VAL 286 Cb -0.07 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2bqr s VAL 286 CO 0.00 0.38 -0.12 -0.69 0.00 0.00 0.00 175.10 174.67 2bqr s VAL 287 N 0.88 3.16 0.05 2.92 1.01 0.15 -2.12 120.40 126.45 2bqr s VAL 287 Ca 0.06 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.49 2bqr s VAL 287 Cb -0.13 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2bqr s VAL 287 CO 0.03 0.53 -0.20 0.00 0.00 0.00 0.00 175.10 175.45 2bqr s ALA 288 N 0.27 1.71 -0.28 5.51 0.00 0.95 -1.02 121.76 128.89 2bqr s ALA 288 Ca -0.09 -1.07 -0.04 0.00 0.00 0.00 0.00 51.96 50.77 2bqr s ALA 288 Cb -0.15 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.68 2bqr s ALA 288 CO 0.05 0.37 0.01 0.08 0.00 0.00 0.00 175.76 176.27 2bqr s VAL 289 N -0.86 3.29 0.86 0.00 1.01 0.67 -0.88 120.40 124.49 2bqr s VAL 289 Ca 0.07 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 2bqr s VAL 289 Cb -0.09 -2.76 0.11 0.00 0.00 0.00 0.00 36.38 33.64 2bqr s VAL 289 CO 0.02 0.05 1.09 0.42 0.00 0.00 0.00 175.10 176.68 2bqr s THR 290 N 1.36 2.87 0.60 3.92 -4.23 0.83 0.14 115.64 121.13 2bqr s THR 290 Ca -0.01 0.28 0.28 0.00 -1.18 0.00 0.00 61.69 61.06 2bqr s THR 290 Cb -0.18 -2.74 0.36 0.00 1.34 0.00 0.00 72.50 71.29 2bqr s THR 290 CO -0.01 -0.37 1.81 1.05 -0.54 0.00 0.00 174.62 176.56 2bqr h GLU 291 N -1.43 0.00 -1.09 3.99 4.11 -0.99 -0.08 114.58 119.09 2bqr h GLU 291 Ca -0.47 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.30 2bqr h GLU 291 Cb 1.26 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.19 2bqr h GLU 291 CO 0.53 0.00 0.45 -0.40 0.07 0.00 0.00 179.01 179.66 2bqr n ASP 292 N -3.52 6.94 -2.04 3.06 5.68 -1.26 -4.91 116.55 120.50 2bqr n ASP 292 Ca 0.09 -3.78 -0.12 0.00 -0.50 0.00 0.00 54.79 50.48 2bqr n ASP 292 Cb 0.75 -0.83 -0.02 0.00 -1.14 0.00 0.00 41.12 39.88 2bqr n ASP 292 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2bqr n LEU 293 N -0.81 -1.00 -4.89 -2.12 7.99 -0.04 -4.97 117.00 111.16 2bqr n LEU 293 Ca 0.57 0.24 -0.29 0.00 -0.01 0.00 0.00 56.01 56.52 2bqr n LEU 293 Cb 0.68 -1.99 -0.03 0.00 -0.11 0.00 0.00 43.42 41.97 2bqr n LEU 293 CO 0.65 -0.30 0.30 -0.62 -1.51 0.00 0.00 177.39 175.92 2bqr s ASP 294 N -2.01 6.46 -0.17 -1.43 2.15 -1.25 -4.84 116.67 115.58 2bqr s ASP 294 Ca 0.00 0.87 0.01 0.00 0.43 0.00 0.00 52.55 53.86 2bqr s ASP 294 Cb 0.00 -2.21 0.02 0.00 -0.30 0.00 0.00 42.92 40.43 2bqr s ASP 294 CO 0.00 -0.29 -0.19 -0.63 -0.17 0.00 0.00 175.17 173.88 2bqr s ILE 295 N -2.23 1.99 0.12 4.11 1.01 -1.26 -0.12 121.20 124.81 2bqr s ILE 295 Ca 0.47 -0.90 0.10 0.00 0.00 0.00 0.00 60.65 60.31 2bqr s ILE 295 Cb -0.10 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 2bqr s ILE 295 CO 0.31 0.53 -0.24 0.68 0.00 0.00 0.00 174.94 176.22 2bqr s VAL 296 N 1.27 1.99 -0.13 2.92 -7.23 -0.06 -4.98 120.40 114.19 2bqr s VAL 296 Ca 0.04 -1.67 -0.22 0.00 -1.81 0.00 0.00 61.98 58.31 2bqr s VAL 296 Cb -0.13 -1.79 0.05 0.00 0.56 0.00 0.00 36.38 35.07 2bqr s VAL 296 CO -0.12 0.00 0.56 -0.94 -0.31 0.00 0.00 175.10 174.29 2bqr s SER 297 N -2.02 -0.54 -0.07 4.85 1.04 -1.26 -0.03 113.70 115.66 2bqr s SER 297 Ca 0.11 0.82 0.02 0.00 0.48 0.00 0.00 55.95 57.38 2bqr s SER 297 Cb -0.10 0.81 0.01 0.00 0.10 0.00 0.00 66.02 66.85 2bqr s SER 297 CO 0.05 -0.38 -0.13 -0.13 0.98 0.00 0.00 173.24 173.64 2bqr s ARG 298 N -0.48 1.78 0.14 4.02 1.81 -0.90 -4.96 118.95 120.36 2bqr s ARG 298 Ca -0.06 -0.44 0.01 0.00 -1.72 0.00 0.00 55.73 53.52 2bqr s ARG 298 Cb -0.03 -1.47 -0.00 0.00 -0.45 0.00 0.00 34.95 33.00 2bqr s ARG 298 CO 0.04 0.03 0.03 0.41 -0.68 0.00 0.00 175.30 175.13 2bqr n GLY 299 N 3.84 3.90 3.64 -3.53 0.00 -1.26 -1.82 105.19 109.96 2bqr n GLY 299 Ca -0.22 -2.09 -0.00 0.00 0.00 0.00 0.00 46.02 43.70 2bqr n GLY 299 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bqr s ARG 300 N -2.52 0.24 -0.06 1.61 3.52 -0.89 -5.00 118.95 115.85 2bqr s ARG 300 Ca 0.04 0.42 -0.01 0.00 -0.13 0.00 0.00 55.73 56.05 2bqr s ARG 300 Cb 0.00 0.05 -0.03 0.00 -1.56 0.00 0.00 34.95 33.41 2bqr s ARG 300 CO 0.03 -0.05 0.01 0.99 -0.81 0.00 0.00 175.30 175.47 2bqr s THR 301 N 1.23 4.32 0.17 4.11 2.01 -1.26 -2.19 115.64 124.03 2bqr s THR 301 Ca -0.09 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 61.66 2bqr s THR 301 Cb -0.03 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 2bqr s THR 301 CO -0.13 0.54 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.94 2bqr s PHE 302 N -0.95 2.77 -0.51 4.92 0.40 0.29 -4.98 117.98 119.92 2bqr s PHE 302 Ca 0.15 -0.16 0.24 0.00 -0.60 0.00 0.00 56.93 56.57 2bqr s PHE 302 Cb -0.11 -1.36 0.96 0.00 0.51 0.00 0.00 43.02 43.02 2bqr s PHE 302 CO 0.05 0.51 1.73 -0.35 0.70 0.00 0.00 175.22 177.86 2bqr n PRO 303 N 0.00 0.22 -4.45 0.24 -0.04 -1.26 -4.77 135.00 124.93 2bqr n PRO 303 Ca -0.10 0.39 -0.22 0.00 -0.04 0.00 0.00 63.50 63.53 2bqr n PRO 303 Cb 0.55 -1.88 -0.10 0.00 -0.04 0.00 0.00 33.50 32.03 2bqr n PRO 303 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2bqr s HIS 304 N -3.29 1.94 0.95 0.54 -3.43 -1.26 -5.12 115.29 105.62 2bqr s HIS 304 Ca 0.05 -0.99 -0.11 0.00 -0.80 0.00 0.00 55.06 53.22 2bqr s HIS 304 Cb 0.10 -1.27 0.16 0.00 -1.43 0.00 0.00 32.58 30.14 2bqr s HIS 304 CO 0.44 -0.02 1.11 0.20 -2.00 0.00 0.00 174.74 174.47 2bqr s GLY 305 N -3.49 1.65 -0.16 -1.38 0.00 -1.26 -4.58 107.32 98.09 2bqr s GLY 305 Ca 0.35 0.33 -0.04 0.00 0.00 0.00 0.00 44.72 45.36 2bqr s GLY 305 CO 0.15 0.81 -0.02 -0.42 0.00 0.00 0.00 173.10 173.62 2bqr s ILE 306 N -2.67 4.00 0.53 0.90 1.01 0.97 -4.93 121.20 121.02 2bqr s ILE 306 Ca 0.66 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.96 2bqr s ILE 306 Cb -0.22 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.49 2bqr s ILE 306 CO 0.59 0.49 0.81 -0.94 0.00 0.00 0.00 174.94 175.89 2bqr s SER 307 N 0.40 5.74 0.43 3.58 1.04 -1.26 -4.61 113.70 119.01 2bqr s SER 307 Ca -0.03 0.59 0.11 0.00 0.48 0.00 0.00 55.95 57.11 2bqr s SER 307 Cb -0.14 -1.70 0.93 0.00 0.10 0.00 0.00 66.02 65.21 2bqr s SER 307 CO 0.03 -0.90 1.99 0.50 0.98 0.00 0.00 173.24 175.84 2bqr h LYS 308 N 0.05 0.19 0.10 4.02 3.64 -1.99 -1.28 116.57 121.30 2bqr h LYS 308 Ca -0.46 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2bqr h LYS 308 Cb 1.25 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2bqr h LYS 308 CO 0.60 0.27 -0.05 0.93 -2.27 0.00 0.00 179.45 178.92 2bqr h GLU 309 N 0.18 -0.13 -0.10 1.90 3.07 -2.00 -1.57 114.58 115.93 2bqr h GLU 309 Ca 0.04 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.93 2bqr h GLU 309 Cb 0.24 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 2bqr h GLU 309 CO 0.01 0.05 -0.03 1.15 -1.40 0.00 0.00 179.01 178.79 2bqr h THR 310 N -0.28 0.89 -0.67 1.13 2.02 -1.83 -2.46 112.91 111.71 2bqr h THR 310 Ca -0.01 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.31 2bqr h THR 310 Cb 0.23 0.89 -0.10 0.00 -1.74 0.00 0.00 68.15 67.43 2bqr h THR 310 CO 0.02 0.00 0.12 0.00 0.37 0.00 0.00 175.52 176.03 2bqr h ALA 311 N 1.09 0.79 0.09 6.16 0.00 -1.14 0.19 119.26 126.45 2bqr h ALA 311 Ca 0.05 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2bqr h ALA 311 Cb 0.08 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2bqr h ALA 311 CO -0.11 -0.34 -0.16 1.88 0.00 0.00 0.00 179.25 180.52 2bqr h TYR 312 N 0.23 -0.41 -0.09 0.00 0.05 -0.83 -1.04 116.97 114.87 2bqr h TYR 312 Ca 0.36 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 59.12 2bqr h TYR 312 Cb 0.59 0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.50 2bqr h TYR 312 CO -0.29 -0.24 -0.08 0.66 -1.05 0.00 0.00 178.16 177.16 2bqr h SER 313 N -0.31 0.23 -0.96 3.88 4.64 -1.01 -3.19 113.55 116.83 2bqr h SER 313 Ca 0.02 -0.48 0.05 0.00 -0.47 0.00 0.00 61.79 60.92 2bqr h SER 313 Cb 0.33 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.29 2bqr h SER 313 CO -0.09 0.66 0.63 -0.08 -0.87 0.00 0.00 176.83 177.07 2bqr h GLU 314 N -0.20 1.13 0.00 4.77 4.57 -0.64 -1.74 114.58 122.47 2bqr h GLU 314 Ca 0.01 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 2bqr h GLU 314 Cb 0.59 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2bqr h GLU 314 CO 0.02 0.75 -0.15 0.66 -1.18 0.00 0.00 179.01 179.10 2bqr h SER 315 N 1.16 0.00 -0.41 1.04 4.64 -1.21 -1.94 113.55 116.84 2bqr h SER 315 Ca 0.40 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.57 2bqr h SER 315 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2bqr h SER 315 CO -0.14 0.15 -0.34 0.58 -0.87 0.00 0.00 176.83 176.21 2bqr h VAL 316 N 0.00 1.27 0.08 0.95 2.07 -1.30 -1.83 116.25 117.48 2bqr h VAL 316 Ca -0.00 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 2bqr h VAL 316 Cb 0.29 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2bqr h VAL 316 CO 0.02 0.51 -0.04 0.11 0.02 0.00 0.00 177.57 178.19 2bqr h LYS 317 N 0.79 -0.10 -0.58 1.57 1.57 -1.26 -1.45 116.57 117.11 2bqr h LYS 317 Ca 0.08 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.96 2bqr h LYS 317 Cb 0.93 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 2bqr h LYS 317 CO 0.09 0.18 0.39 -0.07 -0.57 0.00 0.00 179.45 179.46 2bqr h LEU 318 N -0.38 0.35 -0.37 2.94 3.38 -1.36 0.25 115.31 120.12 2bqr h LEU 318 Ca -0.01 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2bqr h LEU 318 Cb 0.33 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2bqr h LEU 318 CO 0.02 0.21 -0.41 0.25 0.09 0.00 0.00 178.44 178.60 2bqr h LEU 319 N 0.39 0.99 -0.86 1.67 5.85 -1.13 -1.59 115.31 120.64 2bqr h LEU 319 Ca 0.26 -0.48 -0.09 0.00 0.84 0.00 0.00 57.88 58.42 2bqr h LEU 319 Cb 0.53 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2bqr h LEU 319 CO -0.07 1.27 -0.12 1.56 -0.34 0.00 0.00 178.44 180.74 2bqr h GLN 320 N 0.74 0.72 -0.75 1.25 4.20 0.17 -0.89 115.11 120.54 2bqr h GLN 320 Ca 0.05 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 2bqr h GLN 320 Cb 1.01 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 2bqr h GLN 320 CO 0.10 0.81 0.33 -0.22 -0.67 0.00 0.00 178.83 179.18 2bqr h LYS 321 N 0.65 1.10 -0.45 1.46 3.64 -0.44 0.18 116.57 122.71 2bqr h LYS 321 Ca 0.11 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 2bqr h LYS 321 Cb 0.58 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2bqr h LYS 321 CO 0.04 0.88 0.11 0.82 -2.27 0.00 0.00 179.45 179.03 2bqr h ILE 322 N 1.07 1.23 -0.29 2.00 2.04 -0.54 -0.67 117.51 122.35 2bqr h ILE 322 Ca 0.25 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 2bqr h ILE 322 Cb 0.16 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2bqr h ILE 322 CO -0.03 0.29 0.03 -0.07 0.00 0.00 0.00 178.15 178.37 2bqr h LEU 323 N 0.60 0.47 -1.62 1.44 3.38 -0.84 -2.13 115.31 116.61 2bqr h LEU 323 Ca 0.14 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2bqr h LEU 323 Cb 0.32 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2bqr h LEU 323 CO 0.00 0.63 0.19 -0.08 0.09 0.00 0.00 178.44 179.27 2bqr h GLU 324 N 0.30 0.44 -0.58 1.13 4.57 -0.53 -2.79 114.58 117.11 2bqr h GLU 324 Ca 0.09 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 2bqr h GLU 324 Cb 0.37 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 2bqr h GLU 324 CO 0.01 0.32 0.08 0.39 -1.18 0.00 0.00 179.01 178.63 2bqr n GLU 325 N -4.46 4.22 -3.33 1.92 1.02 -0.27 -4.86 120.64 114.88 2bqr n GLU 325 Ca 0.02 -3.11 0.03 0.00 -0.02 0.00 0.00 57.16 54.07 2bqr n GLU 325 Cb 0.09 -2.19 -0.03 0.00 -0.02 0.00 0.00 31.44 29.29 2bqr n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2bqr s ASP 326 N -1.06 -0.90 0.50 1.62 -1.08 -0.83 -5.01 116.67 109.91 2bqr s ASP 326 Ca 0.53 0.87 0.29 0.00 -0.52 0.00 0.00 52.55 53.72 2bqr s ASP 326 Cb 0.42 1.88 1.12 0.00 -1.46 0.00 0.00 42.92 44.88 2bqr s ASP 326 CO 0.14 -0.17 1.90 -0.33 0.52 0.00 0.00 175.17 177.23 2bqr h GLU 327 N 7.85 0.00 -7.26 4.34 3.07 -1.88 -3.42 114.58 117.29 2bqr h GLU 327 Ca -0.18 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.16 2bqr h GLU 327 Cb 1.14 0.00 0.17 0.00 -0.84 0.00 0.00 28.75 29.22 2bqr h GLU 327 CO 0.10 0.11 0.29 1.03 -1.40 0.00 0.00 179.01 179.13 2bqr s ARG 328 N -3.65 1.56 0.61 2.33 0.52 -1.26 -5.02 118.95 114.03 2bqr s ARG 328 Ca 0.01 1.53 -0.12 0.00 -0.52 0.00 0.00 55.73 56.63 2bqr s ARG 328 Cb 0.09 -1.79 -0.04 0.00 0.52 0.00 0.00 34.95 33.73 2bqr s ARG 328 CO 0.59 -2.23 1.03 0.15 0.02 0.00 0.00 175.30 174.86 2bqr s LYS 329 N -4.51 3.59 -0.15 3.54 1.02 -1.26 -4.90 119.74 117.07 2bqr s LYS 329 Ca 0.68 0.80 -0.05 0.00 0.02 0.00 0.00 55.97 57.41 2bqr s LYS 329 Cb -0.23 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 2bqr s LYS 329 CO 0.54 -0.58 0.04 0.42 -0.92 0.00 0.00 175.35 174.86 2bqr s ILE 330 N -3.08 4.65 -0.26 2.17 1.01 0.15 -0.35 121.20 125.49 2bqr s ILE 330 Ca 0.56 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 61.12 2bqr s ILE 330 Cb -0.11 -3.04 -0.17 0.00 0.01 0.00 0.00 42.46 39.14 2bqr s ILE 330 CO 0.51 0.52 -0.22 -1.14 0.00 0.00 0.00 174.94 174.61 2bqr n ARG 331 N 2.98 0.65 -4.12 2.79 0.63 0.37 -2.23 116.66 117.73 2bqr n ARG 331 Ca -0.18 0.16 -0.18 0.00 -0.92 0.00 0.00 57.85 56.74 2bqr n ARG 331 Cb 0.53 -1.52 -0.15 0.00 0.45 0.00 0.00 32.46 31.76 2bqr n ARG 331 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2bqr s ARG 332 N -2.52 0.55 0.17 -0.14 0.52 -0.96 -2.06 118.95 114.51 2bqr s ARG 332 Ca -0.35 -0.11 0.09 0.00 -0.52 0.00 0.00 55.73 54.85 2bqr s ARG 332 Cb 0.09 -0.58 -0.04 0.00 0.52 0.00 0.00 34.95 34.94 2bqr s ARG 332 CO 0.60 -0.00 -0.20 -1.50 0.02 0.00 0.00 175.30 174.21 2bqr s ILE 333 N 0.47 1.99 -0.09 1.52 1.10 -0.84 -0.24 121.20 125.11 2bqr s ILE 333 Ca -0.05 -1.94 -0.31 0.00 -0.51 0.00 0.00 60.65 57.83 2bqr s ILE 333 Cb -0.09 -1.92 0.12 0.00 0.15 0.00 0.00 42.46 40.72 2bqr s ILE 333 CO -0.00 -0.24 1.39 -0.83 -2.11 0.00 0.00 174.94 173.15 2bqr s GLY 334 N -2.63 -0.31 0.18 1.50 0.00 -0.19 -1.45 107.32 104.42 2bqr s GLY 334 Ca 0.17 0.42 0.05 0.00 0.00 0.00 0.00 44.72 45.36 2bqr s GLY 334 CO 0.08 4.58 -0.09 -1.34 0.00 0.00 0.00 173.10 176.33 2bqr s VAL 335 N -2.02 1.27 -0.08 1.40 -7.23 -0.54 0.34 120.40 113.54 2bqr s VAL 335 Ca 0.26 -2.09 -0.04 0.00 -1.81 0.00 0.00 61.98 58.31 2bqr s VAL 335 Cb 0.03 -2.03 0.04 0.00 0.56 0.00 0.00 36.38 34.98 2bqr s VAL 335 CO -0.04 -0.60 0.19 -0.60 -0.31 0.00 0.00 175.10 173.74 2bqr s ARG 336 N -3.75 0.14 -0.09 4.82 3.52 0.58 -1.24 118.95 122.93 2bqr s ARG 336 Ca 0.21 0.45 0.01 0.00 -0.13 0.00 0.00 55.73 56.28 2bqr s ARG 336 Cb 0.03 -0.15 -0.02 0.00 -1.56 0.00 0.00 34.95 33.24 2bqr s ARG 336 CO 0.04 -0.17 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.19 2bqr s PHE 337 N 1.26 2.82 0.27 5.12 0.08 0.06 -0.27 117.98 127.32 2bqr s PHE 337 Ca -0.09 -0.28 0.01 0.00 0.12 0.00 0.00 56.93 56.69 2bqr s PHE 337 Cb -0.11 -1.74 -0.00 0.00 -0.57 0.00 0.00 43.02 40.59 2bqr s PHE 337 CO -0.07 0.08 0.34 -1.13 -0.10 0.00 0.00 175.22 174.34 2bqr n SER 338 N 2.77 -0.93 -3.20 1.36 3.41 -0.34 -1.49 113.62 115.20 2bqr n SER 338 Ca -0.18 -2.54 -0.11 0.00 -0.26 0.00 0.00 58.87 55.78 2bqr n SER 338 Cb 0.53 1.81 0.05 0.00 -0.26 0.00 0.00 64.21 66.34 2bqr n SER 338 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2bqr n LYS 339 N -0.46 -2.03 -2.41 4.33 5.02 -1.25 -1.81 118.16 119.55 2bqr n LYS 339 Ca 0.02 1.02 -0.35 0.00 -2.02 0.00 0.00 58.31 56.98 2bqr n LYS 339 Cb 0.46 -5.82 -0.02 0.00 -0.02 0.00 0.00 35.03 29.64 2bqr n LYS 339 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2bqr s PHE 340 N -3.30 2.89 -2.00 2.13 0.08 -1.26 -1.85 117.98 114.68 2bqr s PHE 340 Ca 0.35 1.57 0.21 0.00 0.12 0.00 0.00 56.93 59.17 2bqr s PHE 340 Cb -0.05 -3.19 1.23 0.00 -0.57 0.00 0.00 43.02 40.45 2bqr s PHE 340 CO 0.74 -1.15 1.61 -0.89 -0.10 0.00 0.00 175.22 175.43