#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jue n LEU 2 N 0.00 3.55 -4.59 4.03 4.77 -1.26 -3.58 117.00 119.92 1jue n LEU 2 Ca 0.00 -1.67 -0.51 0.00 -0.03 0.00 0.00 56.01 53.80 1jue n LEU 2 Cb 0.00 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 40.67 1jue n LEU 2 CO 0.00 0.83 0.87 -0.46 -1.33 0.00 0.00 177.39 177.30 1jue n ASN 3 N 1.48 1.65 -4.07 -1.43 0.23 -1.13 -3.85 115.26 108.15 1jue n ASN 3 Ca 0.22 1.12 -0.18 0.00 -0.53 0.00 0.00 54.58 55.21 1jue n ASN 3 Cb 0.59 -1.21 -0.14 0.00 -2.08 0.00 0.00 39.78 36.94 1jue n ASN 3 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1jue s THR 4 N 0.30 0.82 -0.18 5.53 2.01 -0.21 -4.78 115.64 119.13 1jue s THR 4 Ca 0.81 -0.66 -0.02 0.00 0.31 0.00 0.00 61.69 62.12 1jue s THR 4 Cb -0.91 -0.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 1jue s THR 4 CO 0.48 0.07 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.51 1jue s THR 5 N -0.56 3.21 -0.10 -0.82 2.01 -1.26 -0.48 115.64 117.64 1jue s THR 5 Ca 0.01 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.37 1jue s THR 5 Cb -0.06 -2.41 0.03 0.00 0.01 0.00 0.00 72.50 70.07 1jue s THR 5 CO 0.00 0.47 0.25 0.12 -0.69 0.00 0.00 174.62 174.77 1jue s PHE 6 N 1.02 -0.30 -1.49 4.92 5.36 -0.23 -4.86 117.98 122.41 1jue s PHE 6 Ca -0.00 0.72 -0.12 0.00 -0.96 0.00 0.00 56.93 56.56 1jue s PHE 6 Cb -0.15 0.08 0.08 0.00 -0.34 0.00 0.00 43.02 42.70 1jue s PHE 6 CO -0.01 -0.17 0.79 0.00 -1.46 0.00 0.00 175.22 174.37 1jue n ALA 7 N 3.44 -1.18 -1.73 11.12 0.00 -1.26 -0.39 120.51 130.51 1jue n ALA 7 Ca -0.17 0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 1jue n ALA 7 Cb 0.56 -3.84 -0.07 0.00 0.00 0.00 0.00 19.45 16.10 1jue n ALA 7 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jue n ASN 8 N -2.62 -5.38 -4.40 0.00 3.02 -1.26 -4.98 115.26 99.64 1jue n ASN 8 Ca 0.02 0.38 -0.23 0.00 -0.03 0.00 0.00 54.58 54.71 1jue n ASN 8 Cb 0.53 -4.54 -0.11 0.00 -0.61 0.00 0.00 39.78 35.05 1jue n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jue s ALA 9 N -2.77 2.35 -0.16 5.41 0.00 0.48 -5.14 121.76 121.93 1jue s ALA 9 Ca 0.00 -1.67 -0.07 0.00 0.00 0.00 0.00 51.96 50.22 1jue s ALA 9 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1jue s ALA 9 CO 0.00 0.26 0.08 0.15 0.00 0.00 0.00 175.76 176.26 1jue s LYS 10 N -3.12 3.79 0.03 0.00 -0.14 -1.26 -1.06 119.74 117.98 1jue s LYS 10 Ca 0.22 -0.28 0.06 0.00 -1.36 0.00 0.00 55.97 54.61 1jue s LYS 10 Cb -0.05 -3.20 -0.02 0.00 -1.68 0.00 0.00 37.83 32.88 1jue s LYS 10 CO 0.10 0.43 -0.18 -0.06 -0.76 0.00 0.00 175.35 174.88 1jue s PHE 11 N -0.07 1.58 0.38 3.18 0.08 0.37 -3.66 117.98 119.82 1jue s PHE 11 Ca 0.08 -0.35 0.10 0.00 0.12 0.00 0.00 56.93 56.87 1jue s PHE 11 Cb -0.12 -0.95 0.76 0.00 -0.57 0.00 0.00 43.02 42.14 1jue s PHE 11 CO 0.01 0.06 1.89 0.00 -0.10 0.00 0.00 175.22 177.07 1jue h ALA 12 N 5.02 1.46 -2.93 5.36 0.00 -1.85 -0.53 119.26 125.79 1jue h ALA 12 Ca -0.40 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1jue h ALA 12 Cb 1.17 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 1jue h ALA 12 CO 0.45 0.38 0.12 0.54 0.00 0.00 0.00 179.25 180.73 1jue s ASN 13 N -6.90 -0.32 0.00 0.00 2.20 -1.25 -2.86 114.94 105.81 1jue s ASN 13 Ca -0.05 -0.42 0.29 0.00 -0.94 0.00 0.00 52.86 51.74 1jue s ASN 13 Cb 0.15 0.62 1.28 0.00 -2.00 0.00 0.00 41.25 41.31 1jue s ASN 13 CO 0.73 -1.12 1.94 -0.81 -2.94 0.00 0.00 177.10 174.91 1jue n PRO 14 N -0.38 0.12 -2.40 3.55 -0.04 -1.25 -4.15 135.00 130.44 1jue n PRO 14 Ca -0.10 -0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 62.95 1jue n PRO 14 Cb 0.62 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.54 1jue n PRO 14 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1jue s PHE 15 N -2.88 3.46 0.22 0.54 0.08 -1.26 -0.42 117.98 117.72 1jue s PHE 15 Ca 0.18 1.52 -0.06 0.00 0.12 0.00 0.00 56.93 58.69 1jue s PHE 15 Cb 0.19 -3.39 -0.03 0.00 -0.57 0.00 0.00 43.02 39.23 1jue s PHE 15 CO 0.52 -1.01 0.27 -1.64 -0.10 0.00 0.00 175.22 173.26 1jue s MET 16 N -0.68 1.34 0.53 0.44 -1.94 0.44 0.02 119.30 119.45 1jue s MET 16 Ca 0.50 -1.49 -0.06 0.00 -1.71 0.00 0.00 55.69 52.93 1jue s MET 16 Cb -0.33 0.35 -0.03 0.00 2.01 0.00 0.00 34.83 36.83 1jue s MET 16 CO 0.39 -0.49 0.85 0.54 -0.01 0.00 0.00 175.02 176.30 1jue s ASN 17 N -3.11 6.14 0.07 3.03 4.22 -1.26 -1.18 114.94 122.85 1jue s ASN 17 Ca 0.33 0.99 -0.13 0.00 -2.14 0.00 0.00 52.86 51.90 1jue s ASN 17 Cb 0.04 -2.20 -0.06 0.00 1.28 0.00 0.00 41.25 40.31 1jue s ASN 17 CO 0.11 -0.72 0.45 0.00 -2.04 0.00 0.00 177.10 174.90 1jue s ALA 18 N -2.87 3.67 0.38 3.54 0.00 -0.25 -4.41 121.76 121.83 1jue s ALA 18 Ca 0.50 -0.23 -0.26 0.00 0.00 0.00 0.00 51.96 51.97 1jue s ALA 18 Cb -0.10 -2.40 -0.11 0.00 0.00 0.00 0.00 23.12 20.50 1jue s ALA 18 CO 0.47 0.50 1.15 0.45 0.00 0.00 0.00 175.76 178.32 1jue n SER 19 N 1.28 1.97 0.00 0.00 2.88 -1.26 -1.86 113.62 116.63 1jue n SER 19 Ca -0.10 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1jue n SER 19 Cb 0.52 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 1jue n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jue n GLY 20 N 0.99 3.43 3.30 0.46 0.00 -1.26 -4.92 105.19 107.19 1jue n GLY 20 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1jue n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jue s VAL 21 N -2.83 3.26 -1.42 1.61 1.01 -0.78 -4.69 120.40 116.56 1jue s VAL 21 Ca 0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 1jue s VAL 21 Cb 0.00 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 33.95 1jue s VAL 21 CO 0.00 0.44 0.98 1.57 0.00 0.00 0.00 175.10 178.09 1jue n HIS 22 N 4.68 -2.36 -2.16 5.22 -0.00 -1.26 -4.58 115.22 114.76 1jue n HIS 22 Ca -0.18 0.92 -0.02 0.00 -0.00 0.00 0.00 57.72 58.44 1jue n HIS 22 Cb 0.51 -4.40 -0.03 0.00 -0.00 0.00 0.00 29.99 26.07 1jue n HIS 22 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1jue h MET 24 N 0.33 0.33 -5.97 0.00 4.05 -1.90 -2.47 114.93 109.30 1jue h MET 24 Ca -0.35 -0.50 -0.56 0.00 -0.28 0.00 0.00 59.70 58.00 1jue h MET 24 Cb 1.52 0.18 -0.09 0.00 -0.80 0.00 0.00 31.60 32.42 1jue h MET 24 CO -0.11 1.22 -0.53 0.95 0.23 0.00 0.00 176.91 178.67 1jue s THR 25 N -2.60 2.54 0.32 -0.77 -4.23 -1.26 -4.62 115.64 105.02 1jue s THR 25 Ca -0.13 -1.74 -0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1jue s THR 25 Cb 0.01 -2.96 0.26 0.00 1.34 0.00 0.00 72.50 71.16 1jue s THR 25 CO 0.83 -0.08 1.98 0.40 -0.54 0.00 0.00 174.62 177.21 1jue h ILE 26 N 1.52 1.19 -0.65 2.99 2.04 -1.99 -0.99 117.51 121.63 1jue h ILE 26 Ca -0.43 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 1jue h ILE 26 Cb 1.25 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1jue h ILE 26 CO 0.68 0.19 0.36 -0.08 0.00 0.00 0.00 178.15 179.29 1jue h GLU 27 N 1.00 0.92 -0.20 2.37 4.81 -1.99 0.12 114.58 121.61 1jue h GLU 27 Ca 0.27 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1jue h GLU 27 Cb -0.11 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.09 1jue h GLU 27 CO -0.06 0.69 0.11 -0.44 -0.73 0.00 0.00 179.01 178.59 1jue h ASP 28 N 0.90 0.25 -0.91 1.04 3.32 -1.62 -2.10 116.42 117.30 1jue h ASP 28 Ca 0.23 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1jue h ASP 28 Cb 0.05 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1jue h ASP 28 CO -0.04 0.25 0.54 -0.07 -1.72 0.00 0.00 179.24 178.20 1jue h LEU 29 N 0.23 1.11 -1.14 1.55 3.38 -0.81 -1.71 115.31 117.91 1jue h LEU 29 Ca 0.07 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1jue h LEU 29 Cb 0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1jue h LEU 29 CO -0.01 0.86 -0.32 -0.33 0.09 0.00 0.00 178.44 178.73 1jue h GLU 30 N 1.27 0.18 -0.30 1.13 5.08 -0.82 -0.66 114.58 120.46 1jue h GLU 30 Ca 0.33 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.50 1jue h GLU 30 Cb -0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1jue h GLU 30 CO -0.06 0.49 -0.32 0.93 -1.00 0.00 0.00 179.01 179.05 1jue h GLU 31 N 0.16 0.63 -0.19 2.33 5.08 -0.65 -0.83 114.58 121.12 1jue h GLU 31 Ca 0.02 -0.28 -0.17 0.00 -1.00 0.00 0.00 59.36 57.93 1jue h GLU 31 Cb 0.66 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1jue h GLU 31 CO 0.05 0.87 -0.58 -0.07 -1.00 0.00 0.00 179.01 178.28 1jue h LEU 32 N 0.54 0.68 -0.95 1.33 3.38 -0.76 -2.13 115.31 117.40 1jue h LEU 32 Ca 0.06 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1jue h LEU 32 Cb 0.81 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1jue h LEU 32 CO 0.07 1.11 0.29 0.50 0.09 0.00 0.00 178.44 180.49 1jue h LYS 33 N 0.46 1.05 0.00 1.13 3.64 -0.81 -2.40 116.57 119.64 1jue h LYS 33 Ca 0.00 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 1jue h LYS 33 Cb 1.14 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1jue h LYS 33 CO 0.11 0.85 -0.14 0.00 -2.27 0.00 0.00 179.45 178.00 1jue h ALA 34 N 1.29 0.97 -3.53 5.00 0.00 -0.98 -3.46 119.26 118.54 1jue h ALA 34 Ca 0.24 -0.12 -0.36 0.00 0.00 0.00 0.00 54.91 54.67 1jue h ALA 34 Cb 0.19 -0.02 0.16 0.00 0.00 0.00 0.00 17.79 18.12 1jue h ALA 34 CO -0.02 0.17 0.23 -1.13 0.00 0.00 0.00 179.25 178.50 1jue n SER 35 N -3.21 -0.97 -0.50 0.00 3.41 -0.82 -4.95 113.62 106.58 1jue n SER 35 Ca 0.01 -1.24 0.07 0.00 -0.26 0.00 0.00 58.87 57.46 1jue n SER 35 Cb 0.45 -0.87 0.25 0.00 -0.26 0.00 0.00 64.21 63.78 1jue n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jue n GLN 36 N -3.92 1.65 -1.78 4.33 6.02 -1.26 -4.92 117.38 117.49 1jue n GLN 36 Ca 0.14 -0.99 -0.41 0.00 -0.01 0.00 0.00 57.00 55.72 1jue n GLN 36 Cb 0.50 -1.29 -0.01 0.00 1.02 0.00 0.00 30.24 30.46 1jue n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jue s ALA 37 N -1.70 3.69 0.37 -1.58 0.00 -1.26 -4.88 121.76 116.40 1jue s ALA 37 Ca 0.25 1.58 0.14 0.00 0.00 0.00 0.00 51.96 53.92 1jue s ALA 37 Cb 0.13 -3.64 0.77 0.00 0.00 0.00 0.00 23.12 20.38 1jue s ALA 37 CO 0.19 -1.02 1.84 0.78 0.00 0.00 0.00 175.76 177.55 1jue h GLY 38 N 4.24 0.00 -2.16 0.00 0.00 -0.56 -3.46 103.07 101.12 1jue h GLY 38 Ca -0.48 0.00 0.07 0.00 0.00 0.00 0.00 47.33 46.92 1jue h GLY 38 CO 0.74 0.00 0.26 0.00 0.00 0.00 0.00 176.54 177.54 1jue s ALA 39 N -4.20 -1.32 0.09 3.60 0.00 -0.99 -4.52 121.76 114.43 1jue s ALA 39 Ca -0.03 -0.16 -0.07 0.00 0.00 0.00 0.00 51.96 51.70 1jue s ALA 39 Cb 0.14 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 1jue s ALA 39 CO 0.72 -1.01 0.17 1.52 0.00 0.00 0.00 175.76 177.16 1jue s TYR 40 N -3.82 0.26 0.04 0.00 1.13 -1.26 -3.99 117.35 109.70 1jue s TYR 40 Ca 0.10 -0.69 0.04 0.00 -1.41 0.00 0.00 57.07 55.11 1jue s TYR 40 Cb -0.05 -0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 40.67 1jue s TYR 40 CO 0.04 -0.54 -0.13 -1.50 -2.51 0.00 0.00 175.55 170.91 1jue s ILE 41 N -3.89 1.03 0.67 -3.49 2.07 -1.26 -1.67 121.20 114.66 1jue s ILE 41 Ca 0.07 -1.02 -0.11 0.00 -1.41 0.00 0.00 60.65 58.18 1jue s ILE 41 Cb 0.05 -0.95 -0.01 0.00 0.13 0.00 0.00 42.46 41.68 1jue s ILE 41 CO -0.09 -0.07 1.06 0.42 -1.91 0.00 0.00 174.94 174.35 1jue s THR 42 N -0.94 4.15 0.37 4.00 -4.23 -0.83 -4.75 115.64 113.41 1jue s THR 42 Ca -0.00 0.70 -0.28 0.00 -1.18 0.00 0.00 61.69 60.93 1jue s THR 42 Cb -0.08 -3.59 -0.10 0.00 1.34 0.00 0.00 72.50 70.06 1jue s THR 42 CO 0.01 -0.91 1.38 -0.75 -0.54 0.00 0.00 174.62 173.81 1jue s LYS 43 N -5.17 4.16 0.14 3.99 2.47 -0.93 -4.12 119.74 120.29 1jue s LYS 43 Ca 0.57 2.36 -0.34 0.00 -1.56 0.00 0.00 55.97 57.01 1jue s LYS 43 Cb -0.12 -2.96 -0.13 0.00 -1.46 0.00 0.00 37.83 33.15 1jue s LYS 43 CO 0.54 -0.41 1.63 0.43 0.16 0.00 0.00 175.35 177.70 1jue n SER 44 N 0.50 3.23 -4.68 1.43 7.64 -1.26 -4.61 113.62 115.88 1jue n SER 44 Ca 0.01 1.07 -0.23 0.00 1.01 0.00 0.00 58.87 60.73 1jue n SER 44 Cb 0.41 -1.44 -0.07 0.00 -1.01 0.00 0.00 64.21 62.10 1jue n SER 44 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1jue s SER 45 N 1.28 4.69 0.37 6.43 1.04 -0.73 -4.76 113.70 122.01 1jue s SER 45 Ca 0.80 -0.62 0.08 0.00 0.48 0.00 0.00 55.95 56.69 1jue s SER 45 Cb -0.66 -0.89 -0.07 0.00 0.10 0.00 0.00 66.02 64.50 1jue s SER 45 CO 0.39 -0.05 -0.05 0.42 0.98 0.00 0.00 173.24 174.93 1jue s THR 46 N -2.32 2.06 0.22 2.02 -4.23 -1.26 -1.22 115.64 110.92 1jue s THR 46 Ca 0.33 -2.11 -0.08 0.00 -1.18 0.00 0.00 61.69 58.64 1jue s THR 46 Cb -0.06 -2.78 0.17 0.00 1.34 0.00 0.00 72.50 71.17 1jue s THR 46 CO 0.21 -0.12 1.84 -0.07 -0.54 0.00 0.00 174.62 175.94 1jue h LEU 47 N 1.94 0.75 -9.75 4.79 3.38 -1.93 0.65 115.31 115.14 1jue h LEU 47 Ca -0.43 0.01 -0.63 0.00 0.09 0.00 0.00 57.88 56.92 1jue h LEU 47 Cb 1.24 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 1jue h LEU 47 CO 0.74 0.50 -0.55 -1.61 0.09 0.00 0.00 178.44 177.61 1jue s GLU 48 N -6.09 3.14 0.44 1.13 2.02 -1.26 -3.76 118.70 114.32 1jue s GLU 48 Ca -0.13 -0.56 -0.25 0.00 0.02 0.00 0.00 54.97 54.04 1jue s GLU 48 Cb 0.17 -2.87 -0.08 0.00 0.10 0.00 0.00 34.13 31.44 1jue s GLU 48 CO 0.78 0.59 1.38 0.21 0.02 0.00 0.00 175.26 178.24 1jue s LYS 49 N -2.39 3.75 -0.02 1.61 2.20 -1.26 -4.42 119.74 119.20 1jue s LYS 49 Ca 0.31 2.32 0.04 0.00 -0.36 0.00 0.00 55.97 58.29 1jue s LYS 49 Cb -0.13 -2.66 -0.01 0.00 -1.51 0.00 0.00 37.83 33.52 1jue s LYS 49 CO 0.24 -0.73 -0.15 1.03 -0.36 0.00 0.00 175.35 175.37 1jue s ARG 50 N -2.41 1.40 0.24 4.03 0.52 -0.11 -4.91 118.95 117.70 1jue s ARG 50 Ca 0.60 -0.54 0.15 0.00 -0.52 0.00 0.00 55.73 55.42 1jue s ARG 50 Cb -0.42 -1.29 0.02 0.00 0.52 0.00 0.00 34.95 33.78 1jue s ARG 50 CO 0.53 0.28 1.35 1.49 0.02 0.00 0.00 175.30 178.97 1jue h GLU 51 N 5.99 0.00 0.00 3.54 4.81 -1.87 -2.10 114.58 124.96 1jue h GLU 51 Ca -0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1jue h GLU 51 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1jue h GLU 51 CO 0.48 0.50 0.00 0.41 -0.73 0.00 0.00 179.01 179.67 1jue n GLY 52 N 1.25 -1.87 3.90 1.92 0.00 -1.26 -4.67 105.19 104.46 1jue n GLY 52 Ca 0.00 -1.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.00 1jue n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jue s ASN 53 N -4.00 5.41 0.69 1.61 0.01 0.62 -4.95 114.94 114.33 1jue s ASN 53 Ca 0.00 0.91 -0.16 0.00 -0.71 0.00 0.00 52.86 52.90 1jue s ASN 53 Cb 0.00 -1.75 0.02 0.00 0.41 0.00 0.00 41.25 39.92 1jue s ASN 53 CO 0.00 -1.28 1.18 -2.84 -1.51 0.00 0.00 177.10 172.65 1jue s PRO 54 N -5.22 2.46 0.25 -0.60 0.02 -1.26 -4.93 135.00 125.71 1jue s PRO 54 Ca 0.57 1.69 -0.01 0.00 0.02 0.00 0.00 61.00 63.27 1jue s PRO 54 Cb -0.11 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 1jue s PRO 54 CO 0.49 -1.58 0.45 -0.51 -0.33 0.00 0.00 177.00 175.52 1jue s LEU 55 N -4.87 4.16 0.32 -5.54 1.02 -1.26 -4.05 118.68 108.47 1jue s LEU 55 Ca 0.73 0.44 -0.28 0.00 0.02 0.00 0.00 54.13 55.04 1jue s LEU 55 Cb -0.27 -3.23 -0.09 0.00 0.02 0.00 0.00 46.19 42.61 1jue s LEU 55 CO 0.42 -0.12 1.14 -2.16 0.02 0.00 0.00 176.35 175.65 1jue s PRO 56 N -3.61 4.47 0.00 1.29 0.04 -1.26 -4.71 135.00 131.22 1jue s PRO 56 Ca 0.39 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1jue s PRO 56 Cb -0.11 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1jue s PRO 56 CO 0.31 0.04 0.30 2.89 0.04 0.00 0.00 177.00 180.58 1jue n ARG 57 N 0.85 -0.35 -3.75 4.56 1.85 -1.26 -0.40 116.66 118.16 1jue n ARG 57 Ca 0.00 -0.32 -0.13 0.00 -1.00 0.00 0.00 57.85 56.40 1jue n ARG 57 Cb 0.45 -0.76 -0.13 0.00 -1.05 0.00 0.00 32.46 30.97 1jue n ARG 57 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 1jue s TYR 58 N -0.04 -0.26 -0.02 2.89 6.14 -1.26 -0.65 117.35 124.15 1jue s TYR 58 Ca 0.00 0.64 -0.00 0.00 0.64 0.00 0.00 57.07 58.35 1jue s TYR 58 Cb 0.00 0.02 0.03 0.00 0.42 0.00 0.00 41.96 42.42 1jue s TYR 58 CO 0.00 -0.18 0.03 0.08 0.64 0.00 0.00 175.55 176.12 1jue s VAL 59 N 0.95 -0.05 0.13 3.14 1.01 -0.73 -5.03 120.40 119.83 1jue s VAL 59 Ca -0.07 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 1jue s VAL 59 Cb -0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 36.38 36.15 1jue s VAL 59 CO -0.06 0.08 1.02 -1.81 0.00 0.00 0.00 175.10 174.32 1jue s ASP 60 N 0.92 7.41 0.22 3.32 1.01 -1.26 -2.34 116.67 125.96 1jue s ASP 60 Ca -0.08 1.90 0.11 0.00 0.71 0.00 0.00 52.55 55.19 1jue s ASP 60 Cb -0.11 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.18 1jue s ASP 60 CO -0.03 -0.13 -0.22 -0.76 0.21 0.00 0.00 175.17 174.24 1jue s LEU 61 N -0.07 2.49 0.27 1.23 1.43 0.28 -4.96 118.68 119.35 1jue s LEU 61 Ca 0.48 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1jue s LEU 61 Cb -0.25 -1.11 0.53 0.00 0.03 0.00 0.00 46.19 45.38 1jue s LEU 61 CO 0.31 0.08 1.82 -0.08 0.23 0.00 0.00 176.35 178.71 1jue h GLU 62 N 2.85 0.90 -0.59 1.70 4.81 -2.01 -2.09 114.58 120.14 1jue h GLU 62 Ca -0.44 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1jue h GLU 62 Cb 1.23 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1jue h GLU 62 CO 0.53 0.59 0.00 1.28 -0.73 0.00 0.00 179.01 180.68 1jue n LEU 63 N -4.67 4.69 0.00 1.64 4.77 -1.26 -4.99 117.00 117.18 1jue n LEU 63 Ca 0.18 -2.51 0.00 0.00 -0.03 0.00 0.00 56.01 53.65 1jue n LEU 63 Cb 0.35 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1jue n LEU 63 CO 0.27 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 1jue n GLY 64 N 0.91 -0.11 3.59 -0.72 0.00 -0.79 -1.36 105.19 106.71 1jue n GLY 64 Ca 0.25 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 1jue n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jue s SER 65 N -4.00 -0.45 0.01 1.61 1.04 -0.72 -0.56 113.70 110.63 1jue s SER 65 Ca 0.00 -0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.21 1jue s SER 65 Cb 0.00 0.65 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 1jue s SER 65 CO 0.00 -1.11 -0.04 -0.51 0.98 0.00 0.00 173.24 172.56 1jue s ILE 66 N -3.81 0.28 0.12 -1.02 2.07 -0.99 -1.67 121.20 116.18 1jue s ILE 66 Ca 0.05 -0.33 -0.23 0.00 -1.41 0.00 0.00 60.65 58.73 1jue s ILE 66 Cb -0.03 -0.27 0.06 0.00 0.13 0.00 0.00 42.46 42.35 1jue s ILE 66 CO -0.05 -0.04 0.58 0.54 -1.91 0.00 0.00 174.94 174.05 1jue s ASN 67 N -0.40 -0.52 -0.41 4.50 2.20 -0.78 -1.77 114.94 117.75 1jue s ASN 67 Ca -0.02 0.06 0.09 0.00 -0.94 0.00 0.00 52.86 52.05 1jue s ASN 67 Cb -0.03 0.57 0.31 0.00 -2.00 0.00 0.00 41.25 40.09 1jue s ASN 67 CO -0.00 -0.89 0.81 -0.24 -2.94 0.00 0.00 177.10 173.84 1jue n SER 68 N -0.13 -0.63 -0.31 3.54 2.88 0.17 -0.06 113.62 119.08 1jue n SER 68 Ca -0.17 -3.17 0.02 0.00 -1.33 0.00 0.00 58.87 54.22 1jue n SER 68 Cb 0.63 0.37 0.16 0.00 -0.75 0.00 0.00 64.21 64.63 1jue n SER 68 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1jue h MET 69 N 3.34 0.86 -0.08 -1.46 2.86 -1.87 -3.41 114.93 115.17 1jue h MET 69 Ca 0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1jue h MET 69 Cb 0.99 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1jue h MET 69 CO 0.37 0.57 0.00 0.41 1.06 0.00 0.00 176.91 179.32 1jue n GLY 70 N -1.33 0.72 3.70 8.32 0.00 -1.26 -0.27 105.19 115.07 1jue n GLY 70 Ca 0.14 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 1jue n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jue n LEU 71 N -0.04 -3.13 -4.73 0.99 4.77 -1.26 -4.25 117.00 109.35 1jue n LEU 71 Ca 0.00 -0.84 -0.42 0.00 -0.03 0.00 0.00 56.01 54.72 1jue n LEU 71 Cb 0.40 -2.64 -0.03 0.00 -2.33 0.00 0.00 43.42 38.82 1jue n LEU 71 CO 0.00 0.40 0.90 -2.16 -1.33 0.00 0.00 177.39 175.20 1jue s PRO 72 N -5.95 4.46 0.11 3.23 0.04 -1.26 -4.63 135.00 130.99 1jue s PRO 72 Ca 0.05 1.86 -0.25 0.00 0.04 0.00 0.00 61.00 62.70 1jue s PRO 72 Cb -0.01 -3.28 0.08 0.00 0.04 0.00 0.00 34.50 31.33 1jue s PRO 72 CO 0.82 -0.18 0.72 0.54 0.04 0.00 0.00 177.00 178.94 1jue s ASN 73 N 0.54 -0.47 0.00 6.66 2.20 -0.79 -4.95 114.94 118.13 1jue s ASN 73 Ca 0.56 -0.05 0.09 0.00 -0.94 0.00 0.00 52.86 52.52 1jue s ASN 73 Cb -0.32 0.53 0.29 0.00 -2.00 0.00 0.00 41.25 39.75 1jue s ASN 73 CO 0.33 -0.87 1.22 0.18 -2.94 0.00 0.00 177.10 175.03 1jue n LEU 74 N -0.34 1.17 0.00 3.54 4.77 -1.26 -0.94 117.00 123.94 1jue n LEU 74 Ca -0.13 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1jue n LEU 74 Cb 0.63 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1jue n LEU 74 CO 0.12 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1jue n GLY 75 N 0.87 0.95 0.24 -0.72 0.00 -1.26 -4.43 105.19 100.84 1jue n GLY 75 Ca 0.08 -1.59 -0.04 0.00 0.00 0.00 0.00 46.02 44.48 1jue n GLY 75 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jue h PHE 76 N 0.00 -0.41 -0.78 1.61 3.57 -0.95 -2.22 116.94 117.76 1jue h PHE 76 Ca 0.00 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.63 1jue h PHE 76 Cb 0.00 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 1jue h PHE 76 CO 0.00 -0.26 0.51 -0.44 -2.23 0.00 0.00 178.31 175.89 1jue h ASP 77 N -0.07 0.69 0.02 0.41 3.32 -1.86 -0.76 116.42 118.18 1jue h ASP 77 Ca 0.23 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1jue h ASP 77 Cb 0.42 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1jue h ASP 77 CO -0.52 0.43 -0.01 0.22 -1.72 0.00 0.00 179.24 177.64 1jue h TYR 78 N 0.78 -0.03 -0.35 4.55 3.20 -1.61 -0.74 116.97 122.76 1jue h TYR 78 Ca 0.35 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.10 1jue h TYR 78 Cb 0.34 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1jue h TYR 78 CO -0.00 0.04 -0.26 1.88 -1.64 0.00 0.00 178.16 178.18 1jue h TYR 79 N -0.09 0.94 -0.21 -3.82 0.05 -1.35 -2.37 116.97 110.12 1jue h TYR 79 Ca -0.00 -0.26 -0.00 0.00 0.05 0.00 0.00 58.73 58.51 1jue h TYR 79 Cb 0.08 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 1jue h TYR 79 CO -0.06 1.02 0.11 1.25 -1.05 0.00 0.00 178.16 179.44 1jue h LEU 80 N 0.59 0.26 -0.94 3.88 5.85 -1.12 -1.11 115.31 122.71 1jue h LEU 80 Ca 0.07 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1jue h LEU 80 Cb 0.82 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.72 1jue h LEU 80 CO 0.07 0.27 0.60 0.44 -0.34 0.00 0.00 178.44 179.48 1jue h ASP 81 N 0.22 0.93 0.72 1.25 5.19 -1.12 -1.46 116.42 122.16 1jue h ASP 81 Ca 0.07 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 1jue h ASP 81 Cb 0.07 -0.18 0.01 0.00 0.18 0.00 0.00 39.33 39.41 1jue h ASP 81 CO -0.01 0.58 -0.35 0.22 -3.12 0.00 0.00 179.24 176.56 1jue h TYR 82 N 1.06 -0.90 -0.64 4.55 3.20 -0.95 -2.73 116.97 120.56 1jue h TYR 82 Ca 0.42 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.35 1jue h TYR 82 Cb 0.22 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 1jue h TYR 82 CO -0.02 -0.53 0.42 -0.39 -1.64 0.00 0.00 178.16 176.01 1jue h VAL 83 N -1.15 0.94 -0.60 1.81 -1.51 -1.06 -0.74 116.25 113.94 1jue h VAL 83 Ca -0.10 -0.18 -0.10 0.00 -1.23 0.00 0.00 66.70 65.09 1jue h VAL 83 Cb 0.77 0.36 -0.02 0.00 -2.13 0.00 0.00 31.29 30.27 1jue h VAL 83 CO 0.16 0.10 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.50 1jue h LEU 84 N 0.53 1.06 -0.21 4.19 3.38 -1.25 -0.58 115.31 122.42 1jue h LEU 84 Ca 0.29 -0.32 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 1jue h LEU 84 Cb 0.44 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1jue h LEU 84 CO -0.09 1.12 -0.73 0.11 0.09 0.00 0.00 178.44 178.94 1jue h LYS 85 N 0.97 0.77 -0.03 1.13 1.57 -1.03 -3.11 116.57 116.85 1jue h LYS 85 Ca 0.17 -0.60 -0.08 0.00 -1.87 0.00 0.00 60.65 58.26 1jue h LYS 85 Cb 0.59 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1jue h LYS 85 CO 0.04 1.22 -0.38 -0.97 -0.57 0.00 0.00 179.45 178.78 1jue h ASN 86 N 0.54 0.05 -0.69 0.86 -0.73 -1.08 -2.76 115.58 111.78 1jue h ASN 86 Ca -0.04 -0.02 -0.08 0.00 1.87 0.00 0.00 56.30 58.04 1jue h ASN 86 Cb 1.35 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 39.90 1jue h ASN 86 CO 0.15 0.43 0.13 -0.61 -0.37 0.00 0.00 177.43 177.17 1jue h GLN 87 N 0.05 1.13 0.00 6.67 4.15 -1.06 -2.81 115.11 123.23 1jue h GLN 87 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1jue h GLN 87 Cb 0.70 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1jue h GLN 87 CO 0.05 1.01 0.00 0.87 -1.93 0.00 0.00 178.83 178.83 1jue h LYS 88 N 1.06 0.00 0.00 1.69 1.57 -1.42 -3.04 116.57 116.43 1jue h LYS 88 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1jue h LYS 88 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1jue h LYS 88 CO 0.01 0.00 -0.41 0.93 -0.57 0.00 0.00 179.45 179.41 1jue h GLU 89 N 0.00 0.00 -6.41 3.15 5.08 -1.52 -3.48 114.58 111.41 1jue h GLU 89 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 1jue h GLU 89 Cb 0.34 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 1jue h GLU 89 CO 0.00 0.00 -0.81 0.09 -1.00 0.00 0.00 179.01 177.29 1jue n ASN 90 N -2.81 -3.12 -1.80 1.42 4.13 -1.15 -4.86 115.26 107.07 1jue n ASN 90 Ca 0.03 -0.88 0.04 0.00 1.68 0.00 0.00 54.58 55.44 1jue n ASN 90 Cb 0.52 -3.51 0.36 0.00 -1.54 0.00 0.00 39.78 35.61 1jue n ASN 90 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jue n ALA 91 N -4.50 3.98 -3.57 5.41 0.00 -1.26 -4.95 120.51 115.62 1jue n ALA 91 Ca -0.06 -2.11 -0.16 0.00 0.00 0.00 0.00 53.44 51.11 1jue n ALA 91 Cb 0.57 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 1jue n ALA 91 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1jue s GLN 92 N -2.85 0.93 -0.32 0.00 -2.07 -1.26 -5.12 119.66 108.97 1jue s GLN 92 Ca 0.53 0.54 -0.25 0.00 -1.82 0.00 0.00 55.36 54.37 1jue s GLN 92 Cb 0.42 0.44 0.01 0.00 -1.09 0.00 0.00 33.01 32.79 1jue s GLN 92 CO 0.14 -0.22 0.87 -2.00 -1.32 0.00 0.00 175.29 172.75 1jue s GLU 93 N -0.54 3.96 0.00 9.60 2.12 -1.26 -4.83 118.70 127.76 1jue s GLU 93 Ca -0.06 0.68 0.00 0.00 0.36 0.00 0.00 54.97 55.96 1jue s GLU 93 Cb -0.02 -3.74 0.00 0.00 0.26 0.00 0.00 34.13 30.63 1jue s GLU 93 CO 0.05 -0.76 0.00 0.41 -0.54 0.00 0.00 175.26 174.42 1jue n GLY 94 N 4.15 2.09 3.75 -1.50 0.00 -1.24 -4.73 105.19 107.71 1jue n GLY 94 Ca 0.06 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 1jue n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jue s PRO 95 N -5.01 2.20 0.31 1.61 0.04 -1.26 -5.03 135.00 127.86 1jue s PRO 95 Ca 0.00 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.24 1jue s PRO 95 Cb 0.00 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 1jue s PRO 95 CO 0.00 -1.70 0.66 0.42 0.04 0.00 0.00 177.00 176.42 1jue s ILE 96 N -2.68 4.82 -0.09 0.56 1.01 -1.26 -4.72 121.20 118.84 1jue s ILE 96 Ca 0.64 0.63 -0.08 0.00 0.00 0.00 0.00 60.65 61.84 1jue s ILE 96 Cb -0.19 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1jue s ILE 96 CO 0.52 -0.23 0.18 -0.36 0.00 0.00 0.00 174.94 175.05 1jue s PHE 97 N -2.02 3.61 -0.22 3.97 0.40 -0.67 -2.04 117.98 121.01 1jue s PHE 97 Ca 0.50 0.58 0.02 0.00 -0.60 0.00 0.00 56.93 57.43 1jue s PHE 97 Cb -0.11 -1.98 0.05 0.00 0.51 0.00 0.00 43.02 41.49 1jue s PHE 97 CO 0.23 0.72 -0.13 0.12 0.70 0.00 0.00 175.22 176.86 1jue s PHE 98 N -1.06 2.87 -0.10 0.36 2.19 0.14 -1.97 117.98 120.41 1jue s PHE 98 Ca 0.17 -1.93 -0.12 0.00 0.33 0.00 0.00 56.93 55.38 1jue s PHE 98 Cb -0.13 -1.83 -0.05 0.00 -1.31 0.00 0.00 43.02 39.71 1jue s PHE 98 CO 0.06 -0.82 0.28 0.45 1.83 0.00 0.00 175.22 177.03 1jue s SER 99 N 1.24 6.54 0.02 6.13 0.15 -1.26 -0.14 113.70 126.38 1jue s SER 99 Ca -0.03 0.64 0.05 0.00 0.70 0.00 0.00 55.95 57.31 1jue s SER 99 Cb -0.17 -2.17 -0.02 0.00 -1.71 0.00 0.00 66.02 61.95 1jue s SER 99 CO -0.08 0.26 -0.16 0.27 1.20 0.00 0.00 173.24 174.74 1jue s ILE 100 N -0.48 1.26 -0.41 6.45 -4.36 -0.40 -1.78 121.20 121.49 1jue s ILE 100 Ca 0.18 -0.89 0.08 0.00 -0.26 0.00 0.00 60.65 59.76 1jue s ILE 100 Cb -0.14 -1.09 0.26 0.00 1.25 0.00 0.00 42.46 42.73 1jue s ILE 100 CO 0.07 0.18 0.61 0.00 0.24 0.00 0.00 174.94 176.04 1jue n ALA 101 N 2.22 1.68 -1.62 2.27 0.00 -0.35 -0.94 120.51 123.77 1jue n ALA 101 Ca -0.16 -3.02 -0.39 0.00 0.00 0.00 0.00 53.44 49.86 1jue n ALA 101 Cb 0.54 -0.91 0.03 0.00 0.00 0.00 0.00 19.45 19.11 1jue n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jue n GLY 102 N 1.37 -0.24 0.00 0.00 0.00 -1.26 -4.63 105.19 100.43 1jue n GLY 102 Ca 0.19 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1jue n GLY 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jue n MET 103 N -0.49 0.22 -3.69 1.61 2.81 -1.26 -4.81 117.12 111.51 1jue n MET 103 Ca 0.11 0.12 -0.08 0.00 -1.81 0.00 0.00 57.70 56.05 1jue n MET 103 Cb 0.44 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.43 1jue n MET 103 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1jue s SER 104 N -2.66 -0.33 0.20 7.83 1.04 -1.26 -5.00 113.70 113.51 1jue s SER 104 Ca 0.16 -0.35 -0.11 0.00 0.48 0.00 0.00 55.95 56.14 1jue s SER 104 Cb 0.13 0.61 0.19 0.00 0.10 0.00 0.00 66.02 67.05 1jue s SER 104 CO 0.30 -1.08 1.80 0.00 0.98 0.00 0.00 173.24 175.24 1jue h ALA 105 N 2.00 0.79 -0.95 5.32 0.00 -2.00 -1.42 119.26 123.01 1jue h ALA 105 Ca -0.24 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1jue h ALA 105 Cb 1.26 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1jue h ALA 105 CO 0.28 0.00 0.62 0.00 0.00 0.00 0.00 179.25 180.15 1jue h ALA 106 N 1.31 1.25 -0.57 0.00 0.00 -1.98 -0.19 119.26 119.08 1jue h ALA 106 Ca 0.26 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1jue h ALA 106 Cb 0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1jue h ALA 106 CO -0.16 0.50 -0.07 1.49 0.00 0.00 0.00 179.25 181.01 1jue h GLU 107 N 1.20 1.04 -0.41 0.00 4.81 -1.72 -0.82 114.58 118.68 1jue h GLU 107 Ca 0.37 -0.37 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1jue h GLU 107 Cb -0.01 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1jue h GLU 107 CO -0.12 1.06 0.05 -0.91 -0.73 0.00 0.00 179.01 178.37 1jue h ASN 108 N 0.94 0.66 -0.70 1.04 2.35 -0.64 -1.62 115.58 117.60 1jue h ASN 108 Ca 0.15 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1jue h ASN 108 Cb 0.64 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 1jue h ASN 108 CO 0.04 0.76 0.34 0.40 -1.65 0.00 0.00 177.43 177.33 1jue h ILE 109 N 0.53 1.23 -0.45 2.81 1.08 -0.93 -0.80 117.51 120.98 1jue h ILE 109 Ca 0.12 -0.64 -0.00 0.00 -0.39 0.00 0.00 64.86 63.95 1jue h ILE 109 Cb 0.39 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 1jue h ILE 109 CO 0.01 0.27 0.27 0.00 -0.69 0.00 0.00 178.15 178.01 1jue h ALA 110 N 1.17 0.58 -0.48 1.87 0.00 -0.95 -0.06 119.26 121.39 1jue h ALA 110 Ca 0.24 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1jue h ALA 110 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1jue h ALA 110 CO -0.03 0.07 -0.24 0.52 0.00 0.00 0.00 179.25 179.57 1jue h MET 111 N 0.60 1.00 -0.42 0.00 2.86 -1.08 -2.14 114.93 115.76 1jue h MET 111 Ca 0.16 -0.44 -0.06 0.00 -2.06 0.00 0.00 59.70 57.30 1jue h MET 111 Cb -0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1jue h MET 111 CO -0.03 1.12 0.01 -0.07 1.06 0.00 0.00 176.91 179.00 1jue h LEU 112 N 0.86 0.63 -0.76 1.22 3.38 -0.92 -0.56 115.31 119.15 1jue h LEU 112 Ca 0.10 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1jue h LEU 112 Cb 0.82 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1jue h LEU 112 CO 0.07 0.69 -0.32 0.11 0.09 0.00 0.00 178.44 179.08 1jue h LYS 113 N 0.63 0.57 -0.43 1.13 1.57 -0.82 -0.35 116.57 118.87 1jue h LYS 113 Ca 0.13 -0.25 -0.15 0.00 -1.87 0.00 0.00 60.65 58.51 1jue h LYS 113 Cb 0.38 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1jue h LYS 113 CO 0.01 0.82 -0.30 0.87 -0.57 0.00 0.00 179.45 180.28 1jue h LYS 114 N 0.49 0.96 -0.36 3.15 1.57 -0.84 -1.40 116.57 120.13 1jue h LYS 114 Ca 0.06 -0.45 -0.05 0.00 -1.87 0.00 0.00 60.65 58.33 1jue h LYS 114 Cb 0.80 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1jue h LYS 114 CO 0.07 1.12 0.03 0.82 -0.57 0.00 0.00 179.45 180.92 1jue h ILE 115 N 0.80 1.25 -0.76 1.86 2.04 -0.91 -0.57 117.51 121.21 1jue h ILE 115 Ca 0.09 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 65.06 1jue h ILE 115 Cb 0.89 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 1jue h ILE 115 CO 0.08 0.31 0.49 -0.61 0.00 0.00 0.00 178.15 178.42 1jue h GLN 116 N 0.45 0.93 0.00 2.37 5.75 -0.96 -2.50 115.11 121.15 1jue h GLN 116 Ca 0.11 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 1jue h GLN 116 Cb 0.41 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1jue h GLN 116 CO 0.01 0.62 -0.30 0.93 -2.65 0.00 0.00 178.83 177.44 1jue h GLU 117 N 0.96 0.00 -7.65 1.69 5.08 -1.10 -3.46 114.58 110.11 1jue h GLU 117 Ca 0.30 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 58.22 1jue h GLU 117 Cb -0.01 0.00 0.16 0.00 0.50 0.00 0.00 28.75 29.40 1jue h GLU 117 CO -0.10 0.30 0.33 -1.54 -1.00 0.00 0.00 179.01 177.00 1jue s SER 118 N -6.29 2.68 0.00 1.42 1.04 -0.24 -4.95 113.70 107.36 1jue s SER 118 Ca 0.03 0.50 0.13 0.00 0.48 0.00 0.00 55.95 57.09 1jue s SER 118 Cb 0.08 -0.71 0.41 0.00 0.10 0.00 0.00 66.02 65.91 1jue s SER 118 CO 0.68 -3.02 1.32 0.47 0.98 0.00 0.00 173.24 173.67 1jue n ASP 119 N -4.00 1.69 -4.68 7.02 8.00 -1.26 -4.94 116.55 118.38 1jue n ASP 119 Ca 0.13 -1.92 -0.51 0.00 0.71 0.00 0.00 54.79 53.20 1jue n ASP 119 Cb 0.60 -0.19 -0.05 0.00 -0.02 0.00 0.00 41.12 41.45 1jue n ASP 119 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1jue n PHE 120 N 0.40 2.15 -0.11 1.24 7.35 -1.26 -4.85 117.46 122.37 1jue n PHE 120 Ca 0.12 0.27 0.05 0.00 -0.76 0.00 0.00 57.45 57.13 1jue n PHE 120 Cb 0.28 -2.55 0.13 0.00 0.35 0.00 0.00 39.48 37.70 1jue n PHE 120 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1jue n SER 121 N 5.23 2.76 -1.82 -2.13 3.41 -1.26 -5.00 113.62 114.80 1jue n SER 121 Ca 0.22 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 1jue n SER 121 Cb 0.24 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1jue n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jue n GLY 122 N 0.43 0.29 3.65 5.00 0.00 -1.26 -4.98 105.19 108.32 1jue n GLY 122 Ca 0.10 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 1jue n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jue s ILE 123 N 0.78 4.12 -0.08 -0.61 1.01 -0.86 -4.53 121.20 121.04 1jue s ILE 123 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.33 1jue s ILE 123 Cb 0.00 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 1jue s ILE 123 CO 0.00 0.60 -0.05 -0.89 0.00 0.00 0.00 174.94 174.60 1jue s THR 124 N -0.81 3.86 -0.20 2.92 2.01 -0.71 0.29 115.64 122.99 1jue s THR 124 Ca 0.12 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1jue s THR 124 Cb -0.11 -2.60 0.03 0.00 0.01 0.00 0.00 72.50 69.83 1jue s THR 124 CO 0.02 0.59 -0.17 -0.70 -0.69 0.00 0.00 174.62 173.67 1jue s GLU 125 N -0.71 2.70 -0.36 4.92 2.12 0.80 -0.65 118.70 127.52 1jue s GLU 125 Ca 0.11 -0.93 -0.20 0.00 0.36 0.00 0.00 54.97 54.31 1jue s GLU 125 Cb -0.11 -2.60 0.00 0.00 0.26 0.00 0.00 34.13 31.68 1jue s GLU 125 CO 0.02 -0.31 0.61 -1.17 -0.54 0.00 0.00 175.26 173.87 1jue s LEU 126 N 1.27 4.29 -0.54 2.70 2.96 0.35 -1.27 118.68 128.44 1jue s LEU 126 Ca 0.01 0.07 -0.26 0.00 -0.22 0.00 0.00 54.13 53.73 1jue s LEU 126 Cb -0.15 -2.74 0.03 0.00 0.50 0.00 0.00 46.19 43.84 1jue s LEU 126 CO -0.11 -0.59 1.04 0.21 -1.32 0.00 0.00 176.35 175.59 1jue s ASN 127 N 1.80 6.42 -0.31 3.68 3.84 -0.12 -1.12 114.94 129.13 1jue s ASN 127 Ca 0.23 -0.06 0.09 0.00 0.21 0.00 0.00 52.86 53.33 1jue s ASN 127 Cb -0.15 -2.49 0.59 0.00 -0.55 0.00 0.00 41.25 38.66 1jue s ASN 127 CO 0.15 -1.29 1.62 0.18 -2.79 0.00 0.00 177.10 174.97 1jue n LEU 128 N 7.78 5.02 -0.29 3.21 4.77 -0.88 -4.66 117.00 131.96 1jue n LEU 128 Ca 0.05 -3.50 0.00 0.00 -0.03 0.00 0.00 56.01 52.53 1jue n LEU 128 Cb 0.48 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1jue n LEU 128 CO 0.67 1.03 0.22 -1.54 -1.33 0.00 0.00 177.39 176.44 1jue n SER 129 N -0.84 0.00 -4.65 -1.43 3.41 -1.24 -1.25 113.62 107.61 1jue n SER 129 Ca 0.38 -1.43 -0.43 0.00 -0.26 0.00 0.00 58.87 57.14 1jue n SER 129 Cb 1.22 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 65.05 1jue n SER 129 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jue n PRO 131 N 7.71 3.58 -0.07 0.00 -0.04 -1.26 -4.39 135.00 140.53 1jue n PRO 131 Ca 0.22 -2.54 0.08 0.00 -0.04 0.00 0.00 63.50 61.22 1jue n PRO 131 Cb 0.40 -1.89 0.11 0.00 -0.04 0.00 0.00 33.50 32.09 1jue n PRO 131 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jue n ASN 132 N 0.88 2.20 -4.43 3.54 3.02 -1.26 -4.61 115.26 114.60 1jue n ASN 132 Ca 0.23 -2.87 -0.43 0.00 -0.03 0.00 0.00 54.58 51.48 1jue n ASN 132 Cb 0.85 -0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 39.57 1jue n ASN 132 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jue s VAL 133 N -2.47 5.19 0.04 2.41 1.01 -1.26 -4.01 120.40 121.30 1jue s VAL 133 Ca 0.26 -0.78 -0.37 0.00 0.00 0.00 0.00 61.98 61.09 1jue s VAL 133 Cb 0.23 -3.94 -0.16 0.00 0.00 0.00 0.00 36.38 32.50 1jue s VAL 133 CO 0.02 -0.37 1.47 -2.65 0.00 0.00 0.00 175.10 173.57 1jue n PRO 134 N 5.15 1.38 -0.99 2.72 -0.02 -1.26 -1.10 135.00 140.88 1jue n PRO 134 Ca -0.11 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1jue n PRO 134 Cb 0.46 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1jue n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jue n GLY 135 N 3.01 0.36 2.77 -1.23 0.00 -1.26 -4.98 105.19 103.87 1jue n GLY 135 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1jue n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jue s LYS 136 N -0.60 1.14 0.87 1.61 2.20 -0.26 -5.13 119.74 119.57 1jue s LYS 136 Ca 0.00 -1.68 -0.11 0.00 -0.36 0.00 0.00 55.97 53.82 1jue s LYS 136 Cb 0.00 -2.37 0.12 0.00 -1.51 0.00 0.00 37.83 34.07 1jue s LYS 136 CO 0.00 -1.07 1.10 -1.25 -0.36 0.00 0.00 175.35 173.77 1jue s PRO 137 N 0.85 1.42 -0.26 4.03 0.04 -1.26 -4.53 135.00 135.29 1jue s PRO 137 Ca 0.14 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 1jue s PRO 137 Cb -0.21 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1jue s PRO 137 CO -0.10 -2.22 1.81 -0.65 0.04 0.00 0.00 177.00 175.88 1jue s GLN 138 N -4.82 3.49 0.34 4.56 -0.21 -1.26 -4.88 119.66 116.88 1jue s GLN 138 Ca 0.64 1.64 0.08 0.00 0.02 0.00 0.00 55.36 57.74 1jue s GLN 138 Cb -0.19 -4.17 0.80 0.00 1.00 0.00 0.00 33.01 30.45 1jue s GLN 138 CO 0.57 -1.67 1.84 1.25 -2.12 0.00 0.00 175.29 175.16 1jue h LEU 139 N 13.09 0.70 0.00 2.90 5.85 -1.89 -1.67 115.31 134.29 1jue h LEU 139 Ca -0.35 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1jue h LEU 139 Cb 1.18 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1jue h LEU 139 CO 1.01 0.32 0.00 0.00 -0.34 0.00 0.00 178.44 179.42 1jue n ALA 140 N -2.40 1.92 1.02 1.25 0.00 -0.38 -0.74 120.51 121.17 1jue n ALA 140 Ca 0.20 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1jue n ALA 140 Cb 0.52 -1.18 0.07 0.00 0.00 0.00 0.00 19.45 18.87 1jue n ALA 140 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1jue n TYR 141 N -0.98 0.00 -3.76 0.00 4.01 -0.63 -4.58 117.16 111.23 1jue n TYR 141 Ca 0.08 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.48 1jue n TYR 141 Cb 0.04 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 38.97 1jue n TYR 141 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1jue s ASP 142 N -2.19 5.16 0.32 7.72 -1.08 0.08 -4.96 116.67 121.71 1jue s ASP 142 Ca 0.24 -3.14 0.05 0.00 -0.52 0.00 0.00 52.55 49.19 1jue s ASP 142 Cb 0.19 -1.81 0.69 0.00 -1.46 0.00 0.00 42.92 40.54 1jue s ASP 142 CO 0.41 -0.28 1.84 -0.26 0.52 0.00 0.00 175.17 177.40 1jue h PHE 143 N 6.59 1.01 0.10 -5.34 0.04 -1.81 -0.25 116.94 117.27 1jue h PHE 143 Ca 0.02 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1jue h PHE 143 Cb 0.90 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1jue h PHE 143 CO 0.68 0.36 -0.05 1.49 -0.60 0.00 0.00 178.31 180.19 1jue h GLU 144 N 0.84 -0.13 -0.53 1.51 4.81 -1.93 -1.69 114.58 117.45 1jue h GLU 144 Ca 0.49 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.70 1jue h GLU 144 Cb 0.66 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 1jue h GLU 144 CO -0.26 0.10 0.20 0.00 -0.73 0.00 0.00 179.01 178.32 1jue h ALA 145 N 0.52 1.35 -0.19 2.92 0.00 -1.78 -1.82 119.26 120.26 1jue h ALA 145 Ca -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1jue h ALA 145 Cb 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1jue h ALA 145 CO 0.02 0.48 0.03 1.15 0.00 0.00 0.00 179.25 180.93 1jue h THR 146 N 0.76 1.23 -0.66 0.00 2.02 -0.94 -1.72 112.91 113.60 1jue h THR 146 Ca 0.18 -0.76 -0.05 0.00 0.77 0.00 0.00 66.41 66.55 1jue h THR 146 Cb 0.17 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1jue h THR 146 CO -0.02 0.23 0.22 -0.08 0.37 0.00 0.00 175.52 176.24 1jue h GLU 147 N 0.11 1.03 -0.64 6.66 4.81 -1.12 -1.69 114.58 123.74 1jue h GLU 147 Ca 0.06 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1jue h GLU 147 Cb 0.33 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1jue h GLU 147 CO 0.00 0.89 0.40 -0.22 -0.73 0.00 0.00 179.01 179.36 1jue h LYS 148 N 0.96 0.85 -0.13 1.92 3.64 -1.23 -1.14 116.57 121.45 1jue h LYS 148 Ca 0.22 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1jue h LYS 148 Cb 0.29 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1jue h LYS 148 CO -0.01 0.59 0.01 1.25 -2.27 0.00 0.00 179.45 179.02 1jue h LEU 149 N 0.87 0.21 -1.21 5.20 5.85 -1.10 -2.95 115.31 122.18 1jue h LEU 149 Ca 0.23 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1jue h LEU 149 Cb -0.06 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1jue h LEU 149 CO -0.05 0.45 0.22 -0.07 -0.34 0.00 0.00 178.44 178.65 1jue h LEU 150 N -0.03 0.70 -0.65 2.25 3.38 -1.14 -0.41 115.31 119.41 1jue h LEU 150 Ca 0.04 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1jue h LEU 150 Cb 0.33 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1jue h LEU 150 CO 0.00 0.63 0.30 0.11 0.09 0.00 0.00 178.44 179.57 1jue h LYS 151 N 0.76 0.95 -0.44 1.13 1.57 -1.17 -1.27 116.57 118.09 1jue h LYS 151 Ca 0.18 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1jue h LYS 151 Cb 0.14 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1jue h LYS 151 CO -0.02 0.77 -0.20 1.49 -0.57 0.00 0.00 179.45 180.92 1jue h GLU 152 N 0.90 0.92 -0.36 3.15 4.81 -1.26 -3.10 114.58 119.64 1jue h GLU 152 Ca 0.22 -0.40 0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1jue h GLU 152 Cb 0.15 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1jue h GLU 152 CO -0.02 1.05 0.11 0.28 -0.73 0.00 0.00 179.01 179.70 1jue h VAL 153 N 0.75 0.87 0.00 0.32 2.07 -0.73 -2.29 116.25 117.25 1jue h VAL 153 Ca 0.10 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1jue h VAL 153 Cb 0.77 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1jue h VAL 153 CO 0.06 0.05 0.00 0.49 0.02 0.00 0.00 177.57 178.19 1jue n PHE 154 N -5.04 0.00 1.08 1.57 3.72 -0.51 -0.94 117.46 117.34 1jue n PHE 154 Ca 0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.55 1jue n PHE 154 Cb 0.14 0.00 0.47 0.00 -0.94 0.00 0.00 39.48 39.15 1jue n PHE 154 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1jue n THR 155 N -0.68 0.00 0.00 4.37 -2.24 -0.86 -4.51 114.28 110.36 1jue n THR 155 Ca 0.08 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1jue n THR 155 Cb 0.03 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1jue n THR 155 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1jue n PHE 156 N -1.38 0.00 -2.68 4.78 1.16 -1.01 -5.07 117.46 113.25 1jue n PHE 156 Ca 0.08 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.23 1jue n PHE 156 Cb 0.33 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.17 1jue n PHE 156 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 1jue s PHE 157 N -0.80 3.02 -1.01 2.97 5.36 -0.11 -4.87 117.98 122.54 1jue s PHE 157 Ca 0.00 0.90 0.13 0.00 -0.96 0.00 0.00 56.93 57.00 1jue s PHE 157 Cb 0.00 -3.91 -0.05 0.00 -0.34 0.00 0.00 43.02 38.71 1jue s PHE 157 CO 0.00 -0.95 0.68 0.25 -1.46 0.00 0.00 175.22 173.75 1jue n THR 158 N 6.21 0.00 -2.23 0.12 -2.24 -1.26 -4.71 114.28 110.17 1jue n THR 158 Ca 0.10 -0.30 -0.28 0.00 -2.27 0.00 0.00 64.05 61.30 1jue n THR 158 Cb 0.48 1.10 0.03 0.00 -2.10 0.00 0.00 70.33 69.84 1jue n THR 158 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jue s LYS 159 N -1.86 3.10 -0.06 -0.78 1.02 -1.26 -4.97 119.74 114.93 1jue s LYS 159 Ca 0.09 0.26 -0.36 0.00 0.02 0.00 0.00 55.97 55.98 1jue s LYS 159 Cb 0.10 -2.20 -0.14 0.00 -0.52 0.00 0.00 37.83 35.08 1jue s LYS 159 CO 0.41 -0.69 1.71 -2.30 -0.92 0.00 0.00 175.35 173.57 1jue n PRO 160 N -2.66 1.78 -4.23 -1.68 -0.02 -1.26 -4.95 135.00 121.97 1jue n PRO 160 Ca 0.05 0.65 -0.19 0.00 -2.02 0.00 0.00 63.50 61.99 1jue n PRO 160 Cb 0.57 -2.41 -0.15 0.00 -0.02 0.00 0.00 33.50 31.48 1jue n PRO 160 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jue s LEU 161 N 2.83 1.69 0.25 2.45 2.96 -1.26 -1.73 118.68 125.87 1jue s LEU 161 Ca 0.90 -0.13 0.06 0.00 -0.22 0.00 0.00 54.13 54.74 1jue s LEU 161 Cb -0.82 -0.42 -0.05 0.00 0.50 0.00 0.00 46.19 45.40 1jue s LEU 161 CO 0.52 0.02 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.67 1jue s GLY 162 N 0.34 1.66 -0.06 7.98 0.00 0.18 -0.07 107.32 117.35 1jue s GLY 162 Ca -0.04 -1.81 0.04 0.00 0.00 0.00 0.00 44.72 42.91 1jue s GLY 162 CO 0.00 -1.78 -0.19 -1.34 0.00 0.00 0.00 173.10 169.79 1jue s VAL 163 N -3.08 1.58 -0.29 1.40 -7.23 -0.78 -0.49 120.40 111.50 1jue s VAL 163 Ca 0.27 -0.78 -0.20 0.00 -1.81 0.00 0.00 61.98 59.46 1jue s VAL 163 Cb 0.03 -1.37 -0.01 0.00 0.56 0.00 0.00 36.38 35.59 1jue s VAL 163 CO 0.10 0.45 0.61 -0.75 -0.31 0.00 0.00 175.10 175.20 1jue s LYS 164 N 0.18 3.94 0.15 4.82 2.47 -0.28 -0.37 119.74 130.65 1jue s LYS 164 Ca -0.09 0.31 0.06 0.00 -1.56 0.00 0.00 55.97 54.70 1jue s LYS 164 Cb -0.14 -3.71 -0.04 0.00 -1.46 0.00 0.00 37.83 32.48 1jue s LYS 164 CO 0.04 -0.52 0.02 -0.51 0.16 0.00 0.00 175.35 174.54 1jue s LEU 165 N 2.55 3.45 0.74 5.43 1.43 -0.18 -2.06 118.68 130.03 1jue s LEU 165 Ca 0.24 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 52.96 1jue s LEU 165 Cb -0.15 -2.12 0.05 0.00 0.03 0.00 0.00 46.19 44.01 1jue s LEU 165 CO 0.11 0.11 1.10 -2.16 0.23 0.00 0.00 176.35 175.74 1jue s PRO 166 N -2.79 2.30 0.36 1.29 0.04 -1.26 -1.07 135.00 133.87 1jue s PRO 166 Ca 0.28 0.09 -0.25 0.00 0.04 0.00 0.00 61.00 61.16 1jue s PRO 166 Cb -0.10 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1jue s PRO 166 CO 0.19 -1.31 1.01 -1.25 0.04 0.00 0.00 177.00 175.68 1jue s PRO 167 N -5.40 4.37 0.14 0.56 0.04 -1.26 -4.76 135.00 128.69 1jue s PRO 167 Ca 0.60 1.45 0.07 0.00 0.04 0.00 0.00 61.00 63.15 1jue s PRO 167 Cb -0.11 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 1jue s PRO 167 CO 0.48 0.06 -0.02 0.71 0.04 0.00 0.00 177.00 178.27 1jue s TYR 168 N -1.62 2.87 -0.02 0.56 2.02 -1.26 -5.04 117.35 114.86 1jue s TYR 168 Ca 0.54 -0.11 0.02 0.00 -0.37 0.00 0.00 57.07 57.16 1jue s TYR 168 Cb -0.21 -1.44 0.04 0.00 -0.40 0.00 0.00 41.96 39.95 1jue s TYR 168 CO 0.27 0.49 0.84 1.19 -1.57 0.00 0.00 175.55 176.77 1jue n PHE 169 N 0.22 0.00 -4.02 2.71 3.01 -1.26 -4.86 117.46 113.27 1jue n PHE 169 Ca -0.11 -0.33 -0.18 0.00 1.01 0.00 0.00 57.45 57.85 1jue n PHE 169 Cb 0.54 -0.05 -0.16 0.00 -0.01 0.00 0.00 39.48 39.80 1jue n PHE 169 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1jue s ASP 170 N -0.88 0.60 0.47 4.37 -1.08 -1.26 -5.04 116.67 113.84 1jue s ASP 170 Ca 0.04 -0.06 0.16 0.00 -0.52 0.00 0.00 52.55 52.16 1jue s ASP 170 Cb 0.04 -0.30 1.12 0.00 -1.46 0.00 0.00 42.92 42.32 1jue s ASP 170 CO 0.00 -0.08 2.02 -0.07 0.52 0.00 0.00 175.17 177.57 1jue h LEU 171 N 7.21 0.24 -1.29 -1.34 3.38 -2.00 -0.53 115.31 120.98 1jue h LEU 171 Ca -0.41 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.49 1jue h LEU 171 Cb 1.14 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1jue h LEU 171 CO 0.48 0.15 -0.31 0.58 0.09 0.00 0.00 178.44 179.43 1jue h VAL 172 N 0.27 1.24 -0.33 1.22 2.07 -1.99 -1.82 116.25 116.91 1jue h VAL 172 Ca 0.21 -1.12 -0.12 0.00 0.82 0.00 0.00 66.70 66.48 1jue h VAL 172 Cb 0.46 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1jue h VAL 172 CO -0.04 0.33 -0.30 0.45 0.02 0.00 0.00 177.57 178.03 1jue h HIS 173 N 0.07 0.80 -0.49 1.57 3.86 -1.52 -0.13 115.15 119.31 1jue h HIS 173 Ca 0.01 -0.20 -0.09 0.00 -1.16 0.00 0.00 60.37 58.93 1jue h HIS 173 Cb 0.58 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 1jue h HIS 173 CO 0.00 0.91 -0.06 0.74 0.86 0.00 0.00 177.93 180.39 1jue h PHE 174 N 0.59 0.94 -0.18 2.45 0.04 -1.27 -0.78 116.94 118.75 1jue h PHE 174 Ca 0.07 -0.16 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 1jue h PHE 174 Cb 0.80 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 1jue h PHE 174 CO 0.04 0.88 0.04 -0.44 -0.60 0.00 0.00 178.31 178.23 1jue h ASP 175 N 0.79 0.27 -0.19 2.17 3.32 -0.91 -0.38 116.42 121.48 1jue h ASP 175 Ca 0.14 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1jue h ASP 175 Cb 0.55 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1jue h ASP 175 CO 0.03 0.44 0.12 0.40 -1.72 0.00 0.00 179.24 178.51 1jue h ILE 176 N 0.09 1.06 -0.63 0.35 2.04 -0.88 -1.74 117.51 117.80 1jue h ILE 176 Ca 0.06 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.69 1jue h ILE 176 Cb 0.28 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1jue h ILE 176 CO 0.00 0.06 0.05 0.24 0.00 0.00 0.00 178.15 178.50 1jue h MET 177 N 0.25 1.07 -0.66 2.37 2.86 -1.10 -2.24 114.93 117.49 1jue h MET 177 Ca 0.07 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 1jue h MET 177 Cb -0.01 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 1jue h MET 177 CO -0.01 1.02 0.30 0.00 1.06 0.00 0.00 176.91 179.27 1jue h ALA 178 N 1.05 0.85 -0.70 6.32 0.00 -0.91 0.63 119.26 126.50 1jue h ALA 178 Ca 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1jue h ALA 178 Cb 0.50 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1jue h ALA 178 CO 0.02 0.44 0.39 1.49 0.00 0.00 0.00 179.25 181.58 1jue h GLU 179 N 0.92 0.97 0.10 0.00 4.81 -1.16 0.12 114.58 120.33 1jue h GLU 179 Ca 0.22 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1jue h GLU 179 Cb 0.15 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1jue h GLU 179 CO -0.02 0.72 -0.05 0.82 -0.73 0.00 0.00 179.01 179.75 1jue h ILE 180 N 0.96 1.04 -0.62 2.32 2.04 -0.95 -3.26 117.51 119.04 1jue h ILE 180 Ca 0.25 -0.49 -0.08 0.00 1.00 0.00 0.00 64.86 65.54 1jue h ILE 180 Cb 0.03 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1jue h ILE 180 CO -0.04 0.12 0.08 -0.07 0.00 0.00 0.00 178.15 178.24 1jue h LEU 181 N -0.35 0.97 -1.64 1.44 3.38 -0.69 -3.07 115.31 115.35 1jue h LEU 181 Ca -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1jue h LEU 181 Cb 0.30 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1jue h LEU 181 CO 0.02 0.98 0.00 0.78 0.09 0.00 0.00 178.44 180.31 1jue h ASN 182 N 0.95 0.00 0.60 -0.43 2.35 -0.81 -1.55 115.58 116.69 1jue h ASN 182 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1jue h ASN 182 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1jue h ASN 182 CO 0.01 0.00 -0.11 0.00 -1.65 0.00 0.00 177.43 175.68 1jue n GLN 183 N -2.40 0.35 -4.26 0.81 10.64 -1.16 -4.87 117.38 116.49 1jue n GLN 183 Ca -0.01 -0.09 -0.26 0.00 -1.83 0.00 0.00 57.00 54.80 1jue n GLN 183 Cb 0.06 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 27.85 1jue n GLN 183 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1jue s PHE 184 N -2.71 2.71 -0.36 2.61 0.08 -0.59 -5.01 117.98 114.70 1jue s PHE 184 Ca 0.22 -0.19 -0.06 0.00 0.12 0.00 0.00 56.93 57.02 1jue s PHE 184 Cb 0.19 -1.31 -0.17 0.00 -0.57 0.00 0.00 43.02 41.17 1jue s PHE 184 CO 0.52 0.52 3.33 -0.35 -0.10 0.00 0.00 175.22 179.14 1jue n PRO 185 N -0.06 2.42 -2.24 0.24 -0.04 -1.26 -4.93 135.00 129.12 1jue n PRO 185 Ca -0.10 -1.52 -0.38 0.00 -0.04 0.00 0.00 63.50 61.46 1jue n PRO 185 Cb 0.55 -2.16 -0.01 0.00 -0.04 0.00 0.00 33.50 31.84 1jue n PRO 185 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jue s LEU 186 N -0.47 4.09 -0.01 1.53 1.43 -1.26 -4.83 118.68 119.15 1jue s LEU 186 Ca 0.65 2.36 -0.10 0.00 -1.03 0.00 0.00 54.13 56.01 1jue s LEU 186 Cb 0.31 -4.14 -0.31 0.00 0.03 0.00 0.00 46.19 42.08 1jue s LEU 186 CO -0.05 -0.84 0.80 0.74 0.23 0.00 0.00 176.35 177.23 1jue h THR 187 N 2.07 1.08 -2.48 5.49 2.02 -0.78 -3.39 112.91 116.93 1jue h THR 187 Ca -0.49 -2.64 0.16 0.00 0.77 0.00 0.00 66.41 64.20 1jue h THR 187 Cb 1.24 2.83 -0.07 0.00 -1.74 0.00 0.00 68.15 70.41 1jue h THR 187 CO 0.61 0.84 0.43 -0.72 0.37 0.00 0.00 175.52 177.06 1jue s TYR 188 N -2.60 -0.13 -0.05 3.16 -0.85 -1.19 -2.06 117.35 113.64 1jue s TYR 188 Ca -0.12 -0.21 0.04 0.00 -0.52 0.00 0.00 57.07 56.26 1jue s TYR 188 Cb 0.05 0.66 -0.00 0.00 0.38 0.00 0.00 41.96 43.05 1jue s TYR 188 CO 0.88 -0.92 -0.18 0.08 -1.52 0.00 0.00 175.55 173.89 1jue s VAL 189 N -3.38 1.52 -0.31 -3.49 1.01 -0.60 -1.87 120.40 113.27 1jue s VAL 189 Ca 0.12 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 1jue s VAL 189 Cb -0.02 -1.30 0.05 0.00 0.00 0.00 0.00 36.38 35.11 1jue s VAL 189 CO 0.03 0.43 0.03 0.21 0.00 0.00 0.00 175.10 175.81 1jue s ASN 190 N 0.04 4.98 -0.12 3.32 3.84 0.50 -1.11 114.94 126.40 1jue s ASN 190 Ca -0.05 -1.31 0.02 0.00 0.21 0.00 0.00 52.86 51.74 1jue s ASN 190 Cb -0.12 -1.74 -0.00 0.00 -0.55 0.00 0.00 41.25 38.83 1jue s ASN 190 CO 0.03 -0.29 -0.20 -0.44 -2.79 0.00 0.00 177.10 173.41 1jue s SER 191 N 1.31 3.42 0.17 -4.21 0.01 -0.84 -1.01 113.70 112.55 1jue s SER 191 Ca -0.04 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 56.76 1jue s SER 191 Cb -0.20 -1.49 -0.05 0.00 0.21 0.00 0.00 66.02 64.50 1jue s SER 191 CO -0.01 0.15 -0.01 0.68 0.41 0.00 0.00 173.24 174.46 1jue s VAL 192 N 0.42 0.70 0.87 3.43 -7.23 0.26 -0.33 120.40 118.52 1jue s VAL 192 Ca -0.15 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 57.90 1jue s VAL 192 Cb -0.17 -2.07 0.20 0.00 0.56 0.00 0.00 36.38 34.90 1jue s VAL 192 CO 0.06 -0.52 1.19 -3.20 -0.31 0.00 0.00 175.10 172.32 1jue n ASN 193 N -0.22 0.10 -4.67 4.85 2.85 -0.23 -4.51 115.26 113.43 1jue n ASN 193 Ca -0.07 -1.44 -0.35 0.00 -0.11 0.00 0.00 54.58 52.61 1jue n ASN 193 Cb 0.63 -0.91 0.10 0.00 1.24 0.00 0.00 39.78 40.84 1jue n ASN 193 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1jue n SER 194 N -3.76 1.08 -4.65 1.20 7.64 -1.26 -4.45 113.62 109.42 1jue n SER 194 Ca 0.15 0.68 -0.43 0.00 1.01 0.00 0.00 58.87 60.28 1jue n SER 194 Cb 0.52 -1.48 -0.02 0.00 -1.01 0.00 0.00 64.21 62.21 1jue n SER 194 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1jue s ILE 195 N -1.82 3.97 0.47 0.44 1.01 -0.67 -4.59 121.20 120.02 1jue s ILE 195 Ca 0.76 1.15 -0.22 0.00 0.00 0.00 0.00 60.65 62.34 1jue s ILE 195 Cb -0.33 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.23 1jue s ILE 195 CO 0.48 -0.20 1.17 -0.83 0.00 0.00 0.00 174.94 175.56 1jue s GLY 196 N 2.88 2.76 -1.28 6.18 0.00 -1.26 -0.80 107.32 115.79 1jue s GLY 196 Ca 0.63 0.93 -0.16 0.00 0.00 0.00 0.00 44.72 46.12 1jue s GLY 196 CO 0.22 1.38 0.56 0.70 0.00 0.00 0.00 173.10 175.96 1jue n ASN 197 N -0.61 -2.84 -4.84 1.64 3.02 -1.20 -4.90 115.26 105.54 1jue n ASN 197 Ca 0.08 -1.12 -0.23 0.00 -0.03 0.00 0.00 54.58 53.28 1jue n ASN 197 Cb 0.48 -2.62 0.07 0.00 -0.61 0.00 0.00 39.78 37.10 1jue n ASN 197 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1jue s GLY 198 N -3.85 1.78 -0.01 7.41 0.00 0.96 -4.70 107.32 108.92 1jue s GLY 198 Ca 0.29 -1.45 0.01 0.00 0.00 0.00 0.00 44.72 43.57 1jue s GLY 198 CO 0.92 -1.03 -0.04 -2.27 0.00 0.00 0.00 173.10 170.68 1jue s LEU 199 N -4.99 1.88 -0.03 0.66 2.96 -1.26 -1.14 118.68 116.76 1jue s LEU 199 Ca 0.62 -0.07 0.05 0.00 -0.22 0.00 0.00 54.13 54.50 1jue s LEU 199 Cb -0.08 -0.22 -0.01 0.00 0.50 0.00 0.00 46.19 46.38 1jue s LEU 199 CO 0.42 0.03 -0.17 0.12 -1.32 0.00 0.00 176.35 175.43 1jue s PHE 200 N 0.07 1.61 0.00 5.38 5.36 -1.26 -5.07 117.98 124.06 1jue s PHE 200 Ca -0.00 -0.39 0.06 0.00 -0.96 0.00 0.00 56.93 55.64 1jue s PHE 200 Cb -0.04 -1.06 -0.02 0.00 -0.34 0.00 0.00 43.02 41.56 1jue s PHE 200 CO -0.00 -0.10 -0.20 0.42 -1.46 0.00 0.00 175.22 173.87 1jue s ILE 201 N -0.14 1.60 -0.51 3.12 1.01 -1.26 -3.38 121.20 121.64 1jue s ILE 201 Ca 0.01 -0.95 -0.19 0.00 0.00 0.00 0.00 60.65 59.51 1jue s ILE 201 Cb -0.09 -1.35 0.06 0.00 0.01 0.00 0.00 42.46 41.09 1jue s ILE 201 CO 0.01 0.38 0.63 -0.62 0.00 0.00 0.00 174.94 175.34 1jue s ASP 202 N -0.67 6.22 0.47 3.58 -1.08 -0.04 -4.94 116.67 120.20 1jue s ASP 202 Ca 0.08 -0.94 0.12 0.00 -0.52 0.00 0.00 52.55 51.29 1jue s ASP 202 Cb -0.08 -2.29 1.08 0.00 -1.46 0.00 0.00 42.92 40.17 1jue s ASP 202 CO -0.00 -0.91 2.10 1.55 0.52 0.00 0.00 175.17 178.43 1jue h PRO 203 N 9.01 0.26 -0.08 4.34 0.13 -1.96 0.22 132.00 143.92 1jue h PRO 203 Ca -0.28 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1jue h PRO 203 Cb 1.09 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1jue h PRO 203 CO 0.97 0.17 -0.07 1.49 -0.23 0.00 0.00 178.00 180.33 1jue h GLU 204 N 0.27 0.18 0.00 0.86 4.57 -1.96 -3.07 114.58 115.44 1jue h GLU 204 Ca 0.09 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1jue h GLU 204 Cb 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1jue h GLU 204 CO -0.02 0.61 -0.04 0.00 -1.18 0.00 0.00 179.01 178.39 1jue n ALA 205 N -2.38 2.39 -3.79 2.92 0.00 -1.12 -4.92 120.51 113.62 1jue n ALA 205 Ca -0.07 -0.10 -0.28 0.00 0.00 0.00 0.00 53.44 52.99 1jue n ALA 205 Cb 0.30 -1.45 0.05 0.00 0.00 0.00 0.00 19.45 18.36 1jue n ALA 205 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jue n GLU 206 N -1.70 -6.52 -4.10 0.00 1.02 0.77 -4.97 120.64 105.14 1jue n GLU 206 Ca 0.06 0.69 -0.10 0.00 -0.02 0.00 0.00 57.16 57.79 1jue n GLU 206 Cb 0.36 -5.65 -0.08 0.00 -0.02 0.00 0.00 31.44 26.05 1jue n GLU 206 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1jue s SER 207 N -3.30 0.12 0.95 1.62 0.01 -1.09 -4.98 113.70 107.02 1jue s SER 207 Ca 0.64 -1.14 -0.14 0.00 1.31 0.00 0.00 55.95 56.62 1jue s SER 207 Cb -0.31 0.41 0.16 0.00 0.21 0.00 0.00 66.02 66.50 1jue s SER 207 CO 0.79 -0.88 1.17 0.68 0.41 0.00 0.00 173.24 175.40 1jue s VAL 208 N -4.06 1.95 -0.99 3.43 -7.23 -1.26 -0.86 120.40 111.36 1jue s VAL 208 Ca 0.28 0.00 0.10 0.00 -1.81 0.00 0.00 61.98 60.55 1jue s VAL 208 Cb 0.05 -2.78 0.01 0.00 0.56 0.00 0.00 36.38 34.22 1jue s VAL 208 CO 0.06 0.00 0.67 1.33 -0.31 0.00 0.00 175.10 176.85 1jue n VAL 209 N -3.85 0.00 -4.37 1.32 0.24 -1.22 -4.72 118.33 105.73 1jue n VAL 209 Ca 0.09 -0.41 -0.22 0.00 -2.04 0.00 0.00 64.34 61.76 1jue n VAL 209 Cb 0.59 1.14 -0.13 0.00 -1.47 0.00 0.00 33.84 33.97 1jue n VAL 209 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1jue s ILE 210 N -1.31 1.45 -0.00 1.34 -4.36 -1.26 -4.82 121.20 112.24 1jue s ILE 210 Ca 0.09 -1.28 -0.20 0.00 -0.26 0.00 0.00 60.65 59.00 1jue s ILE 210 Cb 0.08 -1.31 -0.26 0.00 1.25 0.00 0.00 42.46 42.22 1jue s ILE 210 CO 0.24 -0.01 1.05 0.50 0.24 0.00 0.00 174.94 176.96 1jue h LYS 211 N 4.52 0.42 -7.25 0.37 3.64 -0.98 -3.17 116.57 114.11 1jue h LYS 211 Ca -0.42 -0.52 -0.51 0.00 -1.27 0.00 0.00 60.65 57.92 1jue h LYS 211 Cb 1.18 0.16 0.12 0.00 -0.41 0.00 0.00 32.23 33.29 1jue h LYS 211 CO 0.42 1.18 0.34 -1.25 -2.27 0.00 0.00 179.45 177.87 1jue s PRO 212 N -2.97 2.41 -1.60 1.90 0.04 -1.26 -3.82 135.00 129.70 1jue s PRO 212 Ca -0.13 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.14 1jue s PRO 212 Cb 0.03 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.76 1jue s PRO 212 CO 0.84 -1.55 0.57 1.63 0.04 0.00 0.00 177.00 178.54 1jue n LYS 213 N -3.02 -2.81 -2.76 4.56 5.02 -1.26 -1.36 118.16 116.53 1jue n LYS 213 Ca 0.10 0.34 -0.15 0.00 -2.02 0.00 0.00 58.31 56.58 1jue n LYS 213 Cb 0.52 -4.72 -0.00 0.00 -0.02 0.00 0.00 35.03 30.81 1jue n LYS 213 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1jue n ASP 214 N -2.78 -3.58 0.00 4.39 8.00 -1.25 -1.40 116.55 119.93 1jue n ASP 214 Ca -0.09 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1jue n ASP 214 Cb 0.57 -3.03 0.00 0.00 -0.02 0.00 0.00 41.12 38.65 1jue n ASP 214 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jue n GLY 215 N -0.90 0.87 3.71 0.44 0.00 -0.46 -4.91 105.19 103.94 1jue n GLY 215 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1jue n GLY 215 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jue s PHE 216 N -2.46 3.63 0.26 1.61 0.40 -0.49 -4.43 117.98 116.49 1jue s PHE 216 Ca 0.00 1.63 -0.15 0.00 -0.60 0.00 0.00 56.93 57.80 1jue s PHE 216 Cb 0.00 -3.18 0.00 0.00 0.51 0.00 0.00 43.02 40.35 1jue s PHE 216 CO 0.00 -0.26 0.56 0.20 0.70 0.00 0.00 175.22 176.41 1jue s GLY 217 N 0.82 0.34 0.21 4.36 0.00 -0.30 -4.72 107.32 108.04 1jue s GLY 217 Ca 0.53 -0.70 -0.30 0.00 0.00 0.00 0.00 44.72 44.25 1jue s GLY 217 CO 0.29 -0.45 1.24 -0.32 0.00 0.00 0.00 173.10 173.86 1jue s GLY 218 N -2.99 2.65 -0.17 0.20 0.00 0.91 -0.03 107.32 107.90 1jue s GLY 218 Ca 0.19 1.03 -0.08 0.00 0.00 0.00 0.00 44.72 45.86 1jue s GLY 218 CO 0.09 1.92 0.10 -0.42 0.00 0.00 0.00 173.10 174.78 1jue s ILE 219 N -0.16 5.16 0.33 0.90 -1.09 0.02 -1.87 121.20 124.49 1jue s ILE 219 Ca 0.53 0.09 0.04 0.00 -2.23 0.00 0.00 60.65 59.08 1jue s ILE 219 Cb -0.35 -3.31 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 1jue s ILE 219 CO 0.39 0.50 0.16 -0.83 -1.23 0.00 0.00 174.94 173.92 1jue s GLY 220 N -0.04 2.19 0.00 6.18 0.00 -0.67 -1.67 107.32 113.31 1jue s GLY 220 Ca 0.08 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.11 1jue s GLY 220 CO 0.00 -1.64 0.00 0.61 0.00 0.00 0.00 173.10 172.07 1jue n GLY 221 N -0.66 -1.41 0.38 0.20 0.00 -1.26 -1.75 105.19 100.69 1jue n GLY 221 Ca -0.00 -1.81 0.16 0.00 0.00 0.00 0.00 46.02 44.37 1jue n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jue h ALA 222 N 0.00 2.19 -1.00 4.61 0.00 -1.51 -1.69 119.26 121.85 1jue h ALA 222 Ca 0.00 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.09 1jue h ALA 222 Cb 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.64 1jue h ALA 222 CO 0.00 -0.37 0.61 1.88 0.00 0.00 0.00 179.25 181.37 1jue h TYR 223 N 0.33 1.06 -0.23 0.00 0.05 -1.60 -3.03 116.97 113.56 1jue h TYR 223 Ca 0.34 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.15 1jue h TYR 223 Cb 0.86 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 38.28 1jue h TYR 223 CO -0.00 0.25 0.00 0.44 -1.05 0.00 0.00 178.16 177.80 1jue n ILE 224 N -4.75 0.29 -0.24 -2.88 -5.35 -0.64 -4.61 119.36 101.19 1jue n ILE 224 Ca 0.23 -0.65 -0.03 0.00 -0.27 0.00 0.00 62.75 62.04 1jue n ILE 224 Cb 0.56 1.19 0.08 0.00 -1.74 0.00 0.00 39.64 39.74 1jue n ILE 224 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1jue h LYS 225 N 4.34 0.76 -0.88 6.28 3.64 -1.56 0.84 116.57 130.00 1jue h LYS 225 Ca 0.00 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1jue h LYS 225 Cb 0.95 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.53 1jue h LYS 225 CO 0.00 0.50 0.54 -1.35 -2.27 0.00 0.00 179.45 176.87 1jue h PRO 226 N 0.78 0.92 -0.28 1.90 0.11 -1.82 0.11 132.00 133.71 1jue h PRO 226 Ca 0.29 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.23 1jue h PRO 226 Cb 0.09 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 1jue h PRO 226 CO -0.14 0.61 -0.24 1.15 -0.21 0.00 0.00 178.00 179.17 1jue h THR 227 N 0.95 1.30 -0.16 -1.15 2.02 -1.70 -2.26 112.91 111.91 1jue h THR 227 Ca 0.40 -1.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 1jue h THR 227 Cb 0.26 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1jue h THR 227 CO -0.20 0.44 0.08 0.00 0.37 0.00 0.00 175.52 176.21 1jue h ALA 228 N 0.71 0.21 -0.77 6.16 0.00 -0.25 -1.40 119.26 123.92 1jue h ALA 228 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jue h ALA 228 Cb 0.80 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1jue h ALA 228 CO 0.06 -0.25 0.49 -0.07 0.00 0.00 0.00 179.25 179.48 1jue h LEU 229 N 0.14 0.90 -0.71 0.00 3.38 -0.83 -1.26 115.31 116.94 1jue h LEU 229 Ca 0.06 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jue h LEU 229 Cb 0.09 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1jue h LEU 229 CO -0.01 0.68 0.43 0.00 0.09 0.00 0.00 178.44 179.63 1jue h ALA 230 N 1.26 0.91 -0.46 1.53 0.00 -1.15 -0.24 119.26 121.11 1jue h ALA 230 Ca 0.28 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1jue h ALA 230 Cb -0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1jue h ALA 230 CO -0.06 0.38 -0.04 -0.91 0.00 0.00 0.00 179.25 178.62 1jue h ASN 231 N 0.97 0.83 -0.23 0.00 2.35 -0.88 0.22 115.58 118.84 1jue h ASN 231 Ca 0.26 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1jue h ASN 231 Cb -0.03 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1jue h ASN 231 CO -0.05 0.96 0.12 0.58 -1.65 0.00 0.00 177.43 177.38 1jue h VAL 232 N 0.68 1.13 -0.32 2.81 2.07 -0.96 -2.28 116.25 119.38 1jue h VAL 232 Ca 0.13 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1jue h VAL 232 Cb 0.55 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1jue h VAL 232 CO 0.03 0.13 -0.00 -0.09 0.02 0.00 0.00 177.57 177.66 1jue h ARG 233 N 0.25 0.56 -0.83 1.57 9.65 -0.90 -1.58 114.38 123.10 1jue h ARG 233 Ca 0.08 -0.18 0.01 0.00 -1.10 0.00 0.00 59.98 58.79 1jue h ARG 233 Cb 0.10 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.59 1jue h ARG 233 CO -0.01 0.70 0.54 0.00 2.80 0.00 0.00 179.97 184.00 1jue h ALA 234 N 0.84 1.39 0.03 2.80 0.00 -0.52 -2.23 119.26 121.57 1jue h ALA 234 Ca 0.09 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 1jue h ALA 234 Cb 0.44 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1jue h ALA 234 CO 0.02 0.56 -0.97 0.74 0.00 0.00 0.00 179.25 179.59 1jue h PHE 235 N 1.13 0.25 -0.89 0.00 0.04 -1.37 -3.13 116.94 112.98 1jue h PHE 235 Ca 0.30 -0.16 0.02 0.00 2.80 0.00 0.00 57.97 60.94 1jue h PHE 235 Cb -0.12 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 37.96 1jue h PHE 235 CO 0.00 1.03 0.59 -0.92 -0.60 0.00 0.00 178.31 178.41 1jue h TYR 236 N 0.07 1.10 -0.01 -0.55 3.20 -0.71 0.34 116.97 120.41 1jue h TYR 236 Ca -0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1jue h TYR 236 Cb 1.65 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.55 1jue h TYR 236 CO 0.03 0.66 -0.02 0.25 -1.64 0.00 0.00 178.16 177.45 1jue n THR 237 N -4.42 0.00 -0.01 1.81 -2.24 -0.92 -4.22 114.28 104.28 1jue n THR 237 Ca 0.11 -0.16 -0.01 0.00 -2.27 0.00 0.00 64.05 61.73 1jue n THR 237 Cb 0.06 0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.44 1jue n THR 237 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jue n ARG 238 N -0.28 3.59 -2.62 -0.78 1.74 -0.55 -5.05 116.66 112.70 1jue n ARG 238 Ca 0.20 -0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.92 1jue n ARG 238 Cb 0.27 -1.03 -0.05 0.00 -1.02 0.00 0.00 32.46 30.63 1jue n ARG 238 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jue s LEU 239 N -4.15 4.09 0.52 0.55 1.43 0.11 -4.92 118.68 116.31 1jue s LEU 239 Ca -0.01 1.94 -0.21 0.00 -1.03 0.00 0.00 54.13 54.82 1jue s LEU 239 Cb 0.00 -4.27 -0.06 0.00 0.03 0.00 0.00 46.19 41.90 1jue s LEU 239 CO 0.05 -0.45 1.23 -1.59 0.23 0.00 0.00 176.35 175.82 1jue s LYS 240 N -2.65 3.35 0.64 1.70 -2.85 -1.26 -4.88 119.74 113.79 1jue s LYS 240 Ca 0.59 1.90 0.30 0.00 -1.00 0.00 0.00 55.97 57.76 1jue s LYS 240 Cb -0.19 -2.21 1.63 0.00 -2.06 0.00 0.00 37.83 35.01 1jue s LYS 240 CO 0.24 -0.92 1.96 -1.00 0.10 0.00 0.00 175.35 175.72 1jue h PRO 241 N 1.52 0.00 0.00 1.78 0.13 -1.95 -1.16 132.00 132.32 1jue h PRO 241 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 1jue h PRO 241 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1jue h PRO 241 CO 0.58 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 179.16 1jue h GLU 242 N 0.00 0.00 -4.45 0.86 3.07 -1.94 -3.38 114.58 108.74 1jue h GLU 242 Ca 0.06 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 58.20 1jue h GLU 242 Cb 0.74 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.44 1jue h GLU 242 CO -0.00 0.12 -0.40 0.42 -1.40 0.00 0.00 179.01 177.74 1jue s ILE 243 N -4.23 5.23 0.86 3.13 1.01 -0.44 -4.75 121.20 122.01 1jue s ILE 243 Ca -0.03 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.74 1jue s ILE 243 Cb 0.13 -3.97 0.15 0.00 0.01 0.00 0.00 42.46 38.78 1jue s ILE 243 CO 0.59 -0.38 1.19 -1.10 0.00 0.00 0.00 174.94 175.23 1jue s GLN 244 N 1.67 1.21 0.00 2.79 -0.21 -0.87 -4.77 119.66 119.47 1jue s GLN 244 Ca 0.05 -0.53 0.05 0.00 0.02 0.00 0.00 55.36 54.94 1jue s GLN 244 Cb -0.20 -2.02 -0.01 0.00 1.00 0.00 0.00 33.01 31.77 1jue s GLN 244 CO 0.09 -1.96 -0.15 0.42 -2.12 0.00 0.00 175.29 171.58 1jue s ILE 245 N -3.59 1.16 -0.19 1.08 1.01 -1.26 -1.56 121.20 117.85 1jue s ILE 245 Ca 0.69 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 1jue s ILE 245 Cb -0.06 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 1jue s ILE 245 CO 0.49 0.24 -0.05 -0.63 0.00 0.00 0.00 174.94 175.00 1jue s ILE 246 N -0.48 3.58 -0.16 2.92 1.01 -0.26 -0.15 121.20 127.66 1jue s ILE 246 Ca 0.05 -0.45 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 1jue s ILE 246 Cb -0.06 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 1jue s ILE 246 CO -0.00 0.46 0.38 -0.83 0.00 0.00 0.00 174.94 174.95 1jue s GLY 247 N 0.92 2.23 -0.02 6.18 0.00 0.09 -1.98 107.32 114.75 1jue s GLY 247 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.33 1jue s GLY 247 CO 0.01 0.65 0.01 -1.59 0.00 0.00 0.00 173.10 172.18 1jue s THR 248 N 0.76 0.03 0.00 0.90 2.01 0.55 -1.03 115.64 118.87 1jue s THR 248 Ca 0.20 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1jue s THR 248 Cb -0.14 -0.12 0.00 0.00 0.01 0.00 0.00 72.50 72.25 1jue s THR 248 CO 0.07 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 1jue n GLY 249 N 3.83 3.16 2.35 4.40 0.00 -1.26 -0.57 105.19 117.10 1jue n GLY 249 Ca -0.23 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1jue n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jue n GLY 250 N 0.00 1.13 3.59 -0.02 0.00 -1.24 -4.50 105.19 104.16 1jue n GLY 250 Ca 0.00 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1jue n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jue s ILE 251 N -2.50 4.76 0.00 -0.61 1.01 -1.26 -4.75 121.20 117.85 1jue s ILE 251 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.57 1jue s ILE 251 Cb 0.00 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1jue s ILE 251 CO 0.00 -0.39 0.00 1.21 0.00 0.00 0.00 174.94 175.76 1jue n GLU 252 N 6.34 0.74 -4.53 2.79 2.13 -1.26 -4.55 120.64 122.31 1jue n GLU 252 Ca 0.03 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.58 1jue n GLU 252 Cb 0.48 -0.69 -0.10 0.00 0.27 0.00 0.00 31.44 31.40 1jue n GLU 252 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1jue s THR 253 N -1.37 2.08 0.45 6.31 -4.23 -1.26 -4.87 115.64 112.75 1jue s THR 253 Ca 0.00 -1.96 0.11 0.00 -1.18 0.00 0.00 61.69 58.66 1jue s THR 253 Cb 0.00 -2.98 0.24 0.00 1.34 0.00 0.00 72.50 71.11 1jue s THR 253 CO 0.00 -0.02 2.06 1.23 -0.54 0.00 0.00 174.62 177.35 1jue h GLY 254 N 1.73 0.28 1.06 3.99 0.00 -1.85 -1.47 103.07 106.81 1jue h GLY 254 Ca -0.44 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 46.70 1jue h GLY 254 CO 0.78 0.12 0.09 -1.61 0.00 0.00 0.00 176.54 175.92 1jue h GLN 255 N 0.27 1.06 -0.71 4.80 4.15 -1.94 0.62 115.11 123.36 1jue h GLN 255 Ca 0.07 -0.29 -0.06 0.00 0.77 0.00 0.00 58.65 59.14 1jue h GLN 255 Cb 0.06 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 1jue h GLN 255 CO -0.01 0.99 0.21 -0.44 -1.93 0.00 0.00 178.83 177.65 1jue h ASP 256 N 0.97 1.04 -0.37 -0.69 3.32 -1.64 -1.46 116.42 117.59 1jue h ASP 256 Ca 0.19 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1jue h ASP 256 Cb 0.45 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1jue h ASP 256 CO 0.02 0.98 0.10 0.00 -1.72 0.00 0.00 179.24 178.62 1jue h ALA 257 N 1.10 0.49 -0.66 3.45 0.00 -1.09 -2.43 119.26 120.12 1jue h ALA 257 Ca 0.23 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1jue h ALA 257 Cb 0.32 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 1jue h ALA 257 CO -0.01 0.15 0.33 0.35 0.00 0.00 0.00 179.25 180.07 1jue h PHE 258 N 0.45 0.59 -0.40 0.00 3.57 -0.58 -1.48 116.94 119.08 1jue h PHE 258 Ca 0.12 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1jue h PHE 258 Cb 0.29 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1jue h PHE 258 CO 0.01 0.23 0.19 0.93 -2.23 0.00 0.00 178.31 177.44 1jue h GLU 259 N 0.57 0.57 -0.61 1.11 5.08 -1.03 0.06 114.58 120.34 1jue h GLU 259 Ca 0.32 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1jue h GLU 259 Cb 0.31 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1jue h GLU 259 CO -0.25 0.50 0.36 0.45 -1.00 0.00 0.00 179.01 179.07 1jue h HIS 260 N 0.50 0.81 -0.69 4.33 3.86 -0.98 -1.61 115.15 121.37 1jue h HIS 260 Ca 0.14 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.27 1jue h HIS 260 Cb 0.11 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 1jue h HIS 260 CO -0.01 0.56 0.15 -0.07 0.86 0.00 0.00 177.93 179.42 1jue h LEU 261 N 0.82 1.06 -1.67 2.43 3.38 -1.08 -1.90 115.31 118.36 1jue h LEU 261 Ca 0.22 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jue h LEU 261 Cb -0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1jue h LEU 261 CO -0.04 1.03 0.23 0.25 0.09 0.00 0.00 178.44 180.00 1jue h LEU 262 N 1.04 0.39 -0.63 1.67 5.85 -0.61 -0.03 115.31 122.99 1jue h LEU 262 Ca 0.21 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.80 1jue h LEU 262 Cb 0.39 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1jue h LEU 262 CO 0.01 0.28 -0.61 0.00 -0.34 0.00 0.00 178.44 177.78 1jue n GLY 264 N 0.49 0.01 3.76 0.00 0.00 -0.74 -4.36 105.19 104.35 1jue n GLY 264 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1jue n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jue s ALA 265 N -0.40 3.01 -0.21 4.61 0.00 -0.87 -4.59 121.76 123.31 1jue s ALA 265 Ca 0.00 1.15 -0.07 0.00 0.00 0.00 0.00 51.96 53.03 1jue s ALA 265 Cb 0.00 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.55 1jue s ALA 265 CO 0.00 -0.93 -0.25 2.41 0.00 0.00 0.00 175.76 176.99 1jue n THR 266 N -0.47 1.16 -4.13 0.00 -1.04 0.79 -4.48 114.28 106.11 1jue n THR 266 Ca 0.07 -0.34 -0.23 0.00 -2.04 0.00 0.00 64.05 61.51 1jue n THR 266 Cb 0.46 -1.63 -0.05 0.00 -1.82 0.00 0.00 70.33 67.28 1jue n THR 266 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1jue s MET 267 N -2.39 2.83 -0.04 -2.82 -1.94 -1.17 -4.72 119.30 109.05 1jue s MET 267 Ca -0.29 -1.06 0.02 0.00 -1.71 0.00 0.00 55.69 52.65 1jue s MET 267 Cb 0.10 -2.53 0.01 0.00 2.01 0.00 0.00 34.83 34.43 1jue s MET 267 CO 0.40 0.42 -0.08 -0.51 -0.01 0.00 0.00 175.02 175.23 1jue s LEU 268 N -3.61 1.64 -0.01 -0.03 1.43 0.44 -0.73 118.68 117.81 1jue s LEU 268 Ca 0.32 -0.19 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 1jue s LEU 268 Cb -0.08 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 1jue s LEU 268 CO 0.24 0.03 -0.18 -1.10 0.23 0.00 0.00 176.35 175.57 1jue s GLN 269 N 0.47 2.26 -0.18 1.70 -0.21 -0.20 -0.42 119.66 123.08 1jue s GLN 269 Ca -0.08 -0.85 -0.01 0.00 0.02 0.00 0.00 55.36 54.44 1jue s GLN 269 Cb -0.11 -2.25 0.00 0.00 1.00 0.00 0.00 33.01 31.65 1jue s GLN 269 CO 0.01 0.58 -0.13 0.42 -2.12 0.00 0.00 175.29 174.05 1jue s ILE 270 N -0.79 2.72 0.00 1.08 1.01 -0.33 -4.15 121.20 120.75 1jue s ILE 270 Ca 0.13 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1jue s ILE 270 Cb -0.10 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.18 1jue s ILE 270 CO 0.02 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1jue n GLY 271 N 4.46 0.01 0.27 6.18 0.00 -1.26 -1.09 105.19 113.77 1jue n GLY 271 Ca -0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.85 1jue n GLY 271 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jue h THR 272 N 0.00 0.29 -0.56 2.61 2.02 -1.95 -0.63 112.91 114.69 1jue h THR 272 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1jue h THR 272 Cb 0.00 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 1jue h THR 272 CO 0.00 0.01 0.28 0.00 0.37 0.00 0.00 175.52 176.18 1jue h ALA 273 N 1.72 1.44 -0.24 6.16 0.00 -1.89 -1.95 119.26 124.50 1jue h ALA 273 Ca 0.37 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 1jue h ALA 273 Cb 0.60 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jue h ALA 273 CO -0.72 0.45 -0.57 1.25 0.00 0.00 0.00 179.25 179.66 1jue h LEU 274 N 0.78 0.83 -0.99 0.00 5.85 -1.41 -0.85 115.31 119.53 1jue h LEU 274 Ca 0.20 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1jue h LEU 274 Cb 0.07 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 1jue h LEU 274 CO -0.03 1.22 0.65 -0.74 -0.34 0.00 0.00 178.44 179.21 1jue h HIS 275 N 0.57 1.23 0.23 1.25 2.76 -0.61 0.22 115.15 120.79 1jue h HIS 275 Ca 0.01 0.03 -0.33 0.00 -2.20 0.00 0.00 60.37 57.88 1jue h HIS 275 Cb 1.15 -0.41 0.03 0.00 1.55 0.00 0.00 27.41 29.73 1jue h HIS 275 CO 0.06 0.73 -1.43 0.87 -1.30 0.00 0.00 177.93 176.86 1jue h LYS 276 N 1.28 0.50 0.00 5.26 1.57 -1.25 -3.39 116.57 120.54 1jue h LYS 276 Ca 0.39 -0.84 -0.28 0.00 -1.87 0.00 0.00 60.65 58.04 1jue h LYS 276 Cb -0.05 0.31 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1jue h LYS 276 CO -0.11 1.40 -2.01 -1.91 -0.57 0.00 0.00 179.45 176.25 1jue n GLU 277 N -3.69 0.66 0.00 3.15 2.13 -0.33 -5.11 120.64 117.44 1jue n GLU 277 Ca -0.15 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.76 1jue n GLU 277 Cb 1.09 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 31.16 1jue n GLU 277 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jue n GLY 278 N 1.59 -0.21 0.31 8.31 0.00 0.75 -4.47 105.19 111.47 1jue n GLY 278 Ca -0.22 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.13 1jue n GLY 278 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jue h PRO 279 N 0.00 0.00 0.00 1.61 0.11 -1.94 -1.76 132.00 130.02 1jue h PRO 279 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1jue h PRO 279 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1jue h PRO 279 CO 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 1jue h ALA 280 N 1.23 1.00 -0.75 -0.75 0.00 -1.96 -2.63 119.26 115.40 1jue h ALA 280 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1jue h ALA 280 Cb 0.74 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1jue h ALA 280 CO 0.00 0.00 0.50 0.97 0.00 0.00 0.00 179.25 180.72 1jue h ILE 281 N 0.00 1.09 -0.76 0.00 2.10 -1.58 -2.51 117.51 115.85 1jue h ILE 281 Ca 0.00 -0.30 0.04 0.00 1.08 0.00 0.00 64.86 65.67 1jue h ILE 281 Cb 0.14 0.13 -0.05 0.00 -1.09 0.00 0.00 36.82 35.95 1jue h ILE 281 CO 0.00 0.16 0.48 -0.26 -1.08 0.00 0.00 178.15 177.45 1jue h PHE 282 N 0.88 0.90 -0.28 2.19 0.04 -1.72 0.69 116.94 119.65 1jue h PHE 282 Ca 0.31 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.09 1jue h PHE 282 Cb 0.11 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 1jue h PHE 282 CO -0.00 0.50 0.13 0.22 -0.60 0.00 0.00 178.31 178.57 1jue h ASP 283 N 0.93 0.36 0.32 2.17 -0.00 -1.65 -1.77 116.42 116.78 1jue h ASP 283 Ca 0.31 -0.13 -0.02 0.00 -0.00 0.00 0.00 57.03 57.20 1jue h ASP 283 Cb 0.04 -0.09 0.00 0.00 -0.00 0.00 0.00 39.33 39.28 1jue h ASP 283 CO -0.12 0.39 -0.15 -0.09 -0.00 0.00 0.00 179.24 179.26 1jue h ARG 284 N 0.31 -0.42 -0.15 0.28 2.43 -1.25 -2.52 114.38 113.07 1jue h ARG 284 Ca 0.09 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1jue h ARG 284 Cb 0.12 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1jue h ARG 284 CO -0.01 -0.26 -0.24 0.97 -1.51 0.00 0.00 179.97 178.91 1jue h ILE 285 N -0.45 1.24 -0.33 1.20 2.10 -0.88 -1.18 117.51 119.20 1jue h ILE 285 Ca -0.04 -1.10 -0.02 0.00 1.08 0.00 0.00 64.86 64.77 1jue h ILE 285 Cb 0.35 1.40 -0.01 0.00 -1.09 0.00 0.00 36.82 37.46 1jue h ILE 285 CO 0.07 0.34 0.11 0.40 -1.08 0.00 0.00 178.15 177.99 1jue h ILE 286 N 0.24 1.20 -0.57 2.19 2.04 -1.26 -0.49 117.51 120.85 1jue h ILE 286 Ca 0.04 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 1jue h ILE 286 Cb 0.56 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1jue h ILE 286 CO 0.04 0.22 0.09 0.11 0.00 0.00 0.00 178.15 178.61 1jue h LYS 287 N 0.38 0.92 -0.60 2.37 1.57 -1.07 -0.88 116.57 119.26 1jue h LYS 287 Ca 0.11 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1jue h LYS 287 Cb 0.23 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1jue h LYS 287 CO -0.01 0.85 0.13 0.93 -0.57 0.00 0.00 179.45 180.78 1jue h GLU 288 N 0.87 0.97 -0.44 3.15 5.08 -0.92 -1.35 114.58 121.95 1jue h GLU 288 Ca 0.18 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1jue h GLU 288 Cb 0.38 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1jue h GLU 288 CO 0.01 0.90 -0.13 1.25 -1.00 0.00 0.00 179.01 180.04 1jue h LEU 289 N 0.88 0.87 -1.36 1.33 5.85 -0.81 -2.52 115.31 119.55 1jue h LEU 289 Ca 0.19 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 1jue h LEU 289 Cb 0.38 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1jue h LEU 289 CO 0.01 1.04 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.74 1jue h GLU 290 N 0.69 0.32 -0.38 1.25 5.08 -0.98 -1.45 114.58 119.12 1jue h GLU 290 Ca 0.11 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1jue h GLU 290 Cb 0.68 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1jue h GLU 290 CO 0.05 0.42 -0.28 1.49 -1.00 0.00 0.00 179.01 179.69 1jue h GLU 291 N 0.31 0.80 -0.47 2.33 4.57 -1.06 0.59 114.58 121.65 1jue h GLU 291 Ca 0.07 -0.36 -0.04 0.00 -1.18 0.00 0.00 59.36 57.85 1jue h GLU 291 Cb 0.35 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 1jue h GLU 291 CO 0.02 0.98 0.13 0.82 -1.18 0.00 0.00 179.01 179.78 1jue h ILE 292 N 0.68 1.23 -0.51 2.32 2.04 -0.98 -1.40 117.51 120.90 1jue h ILE 292 Ca 0.08 -0.81 -0.07 0.00 1.00 0.00 0.00 64.86 65.07 1jue h ILE 292 Cb 0.82 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1jue h ILE 292 CO 0.07 0.29 0.05 0.24 0.00 0.00 0.00 178.15 178.80 1jue h MET 293 N 0.64 0.86 -0.72 2.37 2.86 -1.08 -2.47 114.93 117.40 1jue h MET 293 Ca 0.15 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1jue h MET 293 Cb 0.31 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1jue h MET 293 CO -0.00 0.87 0.42 -0.91 1.06 0.00 0.00 176.91 178.35 1jue h ASN 294 N 0.74 0.87 0.27 1.22 2.35 -0.68 0.32 115.58 120.67 1jue h ASN 294 Ca 0.15 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1jue h ASN 294 Cb 0.45 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1jue h ASN 294 CO 0.02 0.69 -0.25 1.56 -1.65 0.00 0.00 177.43 177.80 1jue h GLN 295 N 0.98 0.00 -0.01 0.81 1.08 -1.12 -1.95 115.11 114.90 1jue h GLN 295 Ca 0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1jue h GLN 295 Cb -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1jue h GLN 295 CO -0.05 0.25 -0.24 1.63 -0.95 0.00 0.00 178.83 179.48 1jue n LYS 296 N -4.18 1.07 -1.53 1.46 5.02 -0.82 -4.95 118.16 114.23 1jue n LYS 296 Ca -0.02 -0.69 -0.05 0.00 -2.02 0.00 0.00 58.31 55.53 1jue n LYS 296 Cb 0.31 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 1jue n LYS 296 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jue n GLY 297 N 1.33 0.52 3.81 0.72 0.00 0.25 -5.03 105.19 106.78 1jue n GLY 297 Ca 0.13 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 1jue n GLY 297 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jue s TYR 298 N -2.21 3.64 -0.72 1.61 2.02 0.87 -4.97 117.35 117.59 1jue s TYR 298 Ca 0.00 0.87 0.07 0.00 -0.37 0.00 0.00 57.07 57.64 1jue s TYR 298 Cb 0.00 -2.29 0.02 0.00 -0.40 0.00 0.00 41.96 39.28 1jue s TYR 298 CO 0.00 0.53 0.59 1.04 -1.57 0.00 0.00 175.55 176.13 1jue n GLN 299 N 2.36 1.54 -3.66 -0.62 6.02 -1.26 -4.20 117.38 117.56 1jue n GLN 299 Ca -0.13 -0.64 -0.15 0.00 -0.01 0.00 0.00 57.00 56.06 1jue n GLN 299 Cb 0.52 -1.03 -0.07 0.00 1.02 0.00 0.00 30.24 30.68 1jue n GLN 299 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1jue s SER 300 N -0.92 -0.38 0.55 1.08 1.04 -1.26 -4.42 113.70 109.39 1jue s SER 300 Ca 0.07 0.34 0.22 0.00 0.48 0.00 0.00 55.95 57.06 1jue s SER 300 Cb 0.06 0.41 1.50 0.00 0.10 0.00 0.00 66.02 68.09 1jue s SER 300 CO 0.15 -0.52 2.17 0.40 0.98 0.00 0.00 173.24 176.42 1jue h ILE 301 N 3.49 0.77 0.00 -1.02 2.04 -1.86 -0.36 117.51 120.57 1jue h ILE 301 Ca -0.29 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1jue h ILE 301 Cb 1.16 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1jue h ILE 301 CO 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 178.15 178.55 1jue h ALA 302 N 1.96 1.20 0.00 1.87 0.00 -1.93 0.15 119.26 122.51 1jue h ALA 302 Ca 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jue h ALA 302 Cb 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jue h ALA 302 CO -0.00 0.00 -0.00 -0.44 0.00 0.00 0.00 179.25 178.81 1jue h ASP 303 N 0.00 0.00 0.00 0.00 3.32 -1.47 -3.32 116.42 114.94 1jue h ASP 303 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jue h ASP 303 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1jue h ASP 303 CO 0.00 0.00 0.00 2.22 -1.72 0.00 0.00 179.24 179.74 1jue n PHE 304 N -3.10 0.00 -1.68 4.55 -1.74 -0.64 -5.01 117.46 109.84 1jue n PHE 304 Ca -0.01 0.00 -0.49 0.00 -0.56 0.00 0.00 57.45 56.39 1jue n PHE 304 Cb 0.20 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.15 1jue n PHE 304 CO 0.00 0.00 0.00 1.58 -0.56 0.00 0.00 176.76 177.78 1jue n HIS 305 N 0.00 2.26 -0.91 2.97 -0.00 0.43 -1.46 115.22 118.50 1jue n HIS 305 Ca 0.00 0.13 0.00 0.00 0.46 0.00 0.00 57.72 58.31 1jue n HIS 305 Cb 0.17 -2.61 0.00 0.00 -0.12 0.00 0.00 29.99 27.44 1jue n HIS 305 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1jue n GLY 306 N 4.11 0.26 1.05 1.57 0.00 -0.10 -4.89 105.19 107.19 1jue n GLY 306 Ca 0.22 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.25 1jue n GLY 306 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jue n LYS 307 N -1.03 2.37 -1.65 1.61 5.02 -0.53 -4.79 118.16 119.16 1jue n LYS 307 Ca 0.00 -1.15 -0.48 0.00 -2.02 0.00 0.00 58.31 54.65 1jue n LYS 307 Cb 0.21 -1.76 -0.05 0.00 -0.02 0.00 0.00 35.03 33.41 1jue n LYS 307 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1jue n LEU 308 N 0.21 2.67 -4.84 -0.35 7.94 -0.70 -4.94 117.00 116.98 1jue n LEU 308 Ca 0.11 1.09 -0.38 0.00 -1.11 0.00 0.00 56.01 55.72 1jue n LEU 308 Cb 0.62 -1.35 -0.06 0.00 0.53 0.00 0.00 43.42 43.17 1jue n LEU 308 CO 0.13 -0.50 0.06 -0.54 -1.11 0.00 0.00 177.39 175.43 1jue s LYS 309 N 1.03 3.84 0.41 1.96 1.02 -1.26 -5.06 119.74 121.69 1jue s LYS 309 Ca 0.82 0.33 0.00 0.00 0.02 0.00 0.00 55.97 57.14 1jue s LYS 309 Cb -0.77 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 33.31 1jue s LYS 309 CO 0.42 0.70 0.63 -1.12 -0.92 0.00 0.00 175.35 175.06 1jue s SER 310 N -1.09 6.03 0.00 2.83 0.01 -1.26 -5.24 113.70 114.98 1jue s SER 310 Ca 0.23 0.38 0.28 0.00 1.31 0.00 0.00 55.95 58.15 1jue s SER 310 Cb -0.16 -1.76 1.14 0.00 0.21 0.00 0.00 66.02 65.45 1jue s SER 310 CO 0.12 -0.54 1.80 0.18 0.41 0.00 0.00 173.24 175.20