#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pbg s THR 2 N 0.00 3.45 0.34 1.12 -4.23 -1.26 -5.10 115.64 109.96 3pbg s THR 2 Ca 0.00 -0.61 -0.14 0.00 -1.18 0.00 0.00 61.69 59.76 3pbg s THR 2 Cb 0.00 -3.27 -0.08 0.00 1.34 0.00 0.00 72.50 70.49 3pbg s THR 2 CO 0.00 -0.18 0.73 -0.54 -0.54 0.00 0.00 174.62 174.09 3pbg s LYS 3 N -4.60 3.94 0.23 3.99 3.01 -1.26 -4.97 119.74 120.07 3pbg s LYS 3 Ca 0.52 0.60 0.03 0.00 -1.01 0.00 0.00 55.97 56.11 3pbg s LYS 3 Cb -0.10 -2.43 -0.05 0.00 -1.01 0.00 0.00 37.83 34.24 3pbg s LYS 3 CO 0.37 0.12 -0.01 0.95 0.51 0.00 0.00 175.35 177.30 3pbg s THR 4 N -2.07 1.02 0.21 2.17 -4.23 -1.26 -1.00 115.64 110.47 3pbg s THR 4 Ca 0.53 -2.03 0.09 0.00 -1.18 0.00 0.00 61.69 59.10 3pbg s THR 4 Cb -0.10 -2.32 -0.05 0.00 1.34 0.00 0.00 72.50 71.37 3pbg s THR 4 CO 0.21 -0.34 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.01 3pbg s LEU 5 N -3.29 2.51 0.38 4.79 1.43 -0.73 -4.77 118.68 119.00 3pbg s LEU 5 Ca 0.28 -0.95 -0.26 0.00 -1.03 0.00 0.00 54.13 52.18 3pbg s LEU 5 Cb 0.06 -0.88 -0.11 0.00 0.03 0.00 0.00 46.19 45.28 3pbg s LEU 5 CO 0.08 -0.04 1.06 -0.81 0.23 0.00 0.00 176.35 176.87 3pbg n PRO 6 N -0.11 1.49 0.20 1.29 -0.04 -1.26 -4.85 135.00 131.71 3pbg n PRO 6 Ca -0.10 0.53 0.17 0.00 -0.04 0.00 0.00 63.50 64.07 3pbg n PRO 6 Cb 0.59 -2.06 0.83 0.00 -0.04 0.00 0.00 33.50 32.81 3pbg n PRO 6 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3pbg h LYS 7 N 1.79 0.00 -0.58 0.54 3.64 -1.98 -2.13 116.57 117.84 3pbg h LYS 7 Ca -0.44 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.76 3pbg h LYS 7 Cb 1.33 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 33.04 3pbg h LYS 7 CO 0.58 0.00 0.17 -0.40 -2.27 0.00 0.00 179.45 177.54 3pbg n ASP 8 N -3.76 4.15 -4.78 4.20 5.75 -1.26 -5.02 116.55 115.82 3pbg n ASP 8 Ca 0.02 -3.31 -0.35 0.00 -0.01 0.00 0.00 54.79 51.14 3pbg n ASP 8 Cb 0.35 -0.69 -0.00 0.00 -1.03 0.00 0.00 41.12 39.74 3pbg n ASP 8 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3pbg s PHE 9 N -3.03 2.74 -0.33 2.11 5.36 -0.80 -4.97 117.98 119.05 3pbg s PHE 9 Ca 0.51 1.55 -0.17 0.00 -0.96 0.00 0.00 56.93 57.86 3pbg s PHE 9 Cb 0.42 -3.24 -0.01 0.00 -0.34 0.00 0.00 43.02 39.85 3pbg s PHE 9 CO 0.10 -1.42 0.47 0.42 -1.46 0.00 0.00 175.22 173.33 3pbg s ILE 10 N -1.84 5.07 -0.71 3.12 1.01 -1.00 -4.99 121.20 121.86 3pbg s ILE 10 Ca 0.71 0.34 -0.11 0.00 0.00 0.00 0.00 60.65 61.60 3pbg s ILE 10 Cb -0.22 -3.90 0.19 0.00 0.01 0.00 0.00 42.46 38.54 3pbg s ILE 10 CO 0.26 -0.13 0.61 -0.36 0.00 0.00 0.00 174.94 175.32 3pbg s PHE 11 N 2.27 3.59 0.09 3.97 0.08 -1.26 -0.67 117.98 126.05 3pbg s PHE 11 Ca 0.17 -2.13 0.01 0.00 0.12 0.00 0.00 56.93 55.10 3pbg s PHE 11 Cb -0.16 -3.61 0.01 0.00 -0.57 0.00 0.00 43.02 38.69 3pbg s PHE 11 CO 0.12 -0.95 0.08 0.41 -0.10 0.00 0.00 175.22 174.78 3pbg n GLY 12 N 4.04 2.80 3.01 4.36 0.00 -0.34 -1.86 105.19 117.19 3pbg n GLY 12 Ca 0.08 -2.18 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 3pbg n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3pbg s GLY 13 N -2.02 0.30 0.15 -0.02 0.00 -0.91 -2.84 107.32 101.98 3pbg s GLY 13 Ca 0.06 -0.75 0.10 0.00 0.00 0.00 0.00 44.72 44.13 3pbg s GLY 13 CO 0.04 -0.83 -0.21 0.00 0.00 0.00 0.00 173.10 172.10 3pbg s ALA 14 N -2.11 2.58 0.22 3.20 0.00 -0.09 -1.70 121.76 123.87 3pbg s ALA 14 Ca -0.10 -1.48 -0.07 0.00 0.00 0.00 0.00 51.96 50.32 3pbg s ALA 14 Cb -0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 3pbg s ALA 14 CO -0.03 0.52 0.30 0.95 0.00 0.00 0.00 175.76 177.49 3pbg s THR 15 N -1.32 0.00 -0.05 0.00 -4.23 -1.00 -1.33 115.64 107.72 3pbg s THR 15 Ca 0.18 -1.72 -0.05 0.00 -1.18 0.00 0.00 61.69 58.92 3pbg s THR 15 Cb -0.09 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.40 3pbg s THR 15 CO 0.09 0.00 0.15 0.00 -0.54 0.00 0.00 174.62 174.32 3pbg s ALA 16 N -4.08 -0.36 0.00 3.99 0.00 -1.26 -4.37 121.76 115.68 3pbg s ALA 16 Ca 0.31 0.38 -0.01 0.00 0.00 0.00 0.00 51.96 52.65 3pbg s ALA 16 Cb 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 3pbg s ALA 16 CO 0.11 -0.08 1.01 0.00 0.00 0.00 0.00 175.76 176.80 3pbg h ALA 17 N 5.82 -0.60 -0.87 0.00 0.00 -1.91 -1.05 119.26 120.66 3pbg h ALA 17 Ca -0.25 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 54.83 3pbg h ALA 17 Cb 1.20 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 19.35 3pbg h ALA 17 CO 0.42 -0.60 0.57 -0.92 0.00 0.00 0.00 179.25 178.72 3pbg h TYR 18 N -0.02 0.61 -0.18 0.00 3.20 -1.94 0.31 116.97 118.95 3pbg h TYR 18 Ca -0.00 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.70 3pbg h TYR 18 Cb 0.02 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 3pbg h TYR 18 CO -0.26 0.19 -0.63 1.96 -1.64 0.00 0.00 178.16 177.78 3pbg h GLN 19 N 0.49 0.65 0.01 1.82 4.20 -1.85 -3.41 115.11 117.02 3pbg h GLN 19 Ca 0.45 -0.46 -0.42 0.00 0.06 0.00 0.00 58.65 58.28 3pbg h GLN 19 Cb 0.98 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.77 3pbg h GLN 19 CO -0.18 1.08 -2.45 0.00 -0.67 0.00 0.00 178.83 176.61 3pbg n ALA 20 N -2.55 1.29 0.31 3.87 0.00 -0.42 -3.98 120.51 119.04 3pbg n ALA 20 Ca -0.05 -1.07 -0.17 0.00 0.00 0.00 0.00 53.44 52.16 3pbg n ALA 20 Cb 0.66 -0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.98 3pbg n ALA 20 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3pbg h GLU 21 N -0.46 -0.93 0.00 0.00 5.08 -0.59 0.36 114.58 118.03 3pbg h GLU 21 Ca -0.62 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 3pbg h GLU 21 Cb 1.77 0.21 0.00 0.00 0.50 0.00 0.00 28.75 31.23 3pbg h GLU 21 CO -0.23 -0.62 0.00 0.41 -1.00 0.00 0.00 179.01 177.57 3pbg n GLY 22 N -1.52 -0.30 4.22 -3.84 0.00 -1.26 -2.85 105.19 99.64 3pbg n GLY 22 Ca -0.12 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 3pbg n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pbg n ALA 23 N 3.57 -1.96 0.29 4.61 0.00 -1.26 -4.80 120.51 120.96 3pbg n ALA 23 Ca 0.00 -0.36 0.17 0.00 0.00 0.00 0.00 53.44 53.25 3pbg n ALA 23 Cb 0.00 -1.10 0.85 0.00 0.00 0.00 0.00 19.45 19.20 3pbg n ALA 23 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3pbg h THR 24 N -1.76 0.21 -0.14 0.00 1.35 -1.92 -2.86 112.91 107.79 3pbg h THR 24 Ca -0.65 -0.39 -0.17 0.00 -0.55 0.00 0.00 66.41 64.66 3pbg h THR 24 Cb 1.39 1.31 -0.26 0.00 -1.73 0.00 0.00 68.15 68.86 3pbg h THR 24 CO 0.69 0.05 -0.85 1.41 -0.25 0.00 0.00 175.52 176.58 3pbg n HIS 25 N -3.29 0.46 -4.32 4.73 8.25 -1.26 -4.69 115.22 115.10 3pbg n HIS 25 Ca -0.01 -1.24 -0.25 0.00 -0.26 0.00 0.00 57.72 55.96 3pbg n HIS 25 Cb 0.22 -0.21 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 3pbg n HIS 25 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3pbg s THR 26 N -2.09 3.21 -1.72 1.59 2.01 -1.08 -4.71 115.64 112.84 3pbg s THR 26 Ca 0.36 -1.88 -0.17 0.00 0.31 0.00 0.00 61.69 60.31 3pbg s THR 26 Cb 0.38 -2.66 0.16 0.00 0.01 0.00 0.00 72.50 70.38 3pbg s THR 26 CO -0.10 -0.27 0.66 0.47 -0.69 0.00 0.00 174.62 174.69 3pbg n ASP 27 N -0.48 -2.40 -0.25 3.53 8.00 -1.26 -0.89 116.55 122.80 3pbg n ASP 27 Ca -0.08 -1.09 -0.03 0.00 0.71 0.00 0.00 54.79 54.29 3pbg n ASP 27 Cb 0.58 -2.38 -0.01 0.00 -0.02 0.00 0.00 41.12 39.28 3pbg n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pbg n GLY 28 N -1.43 0.64 3.72 0.44 0.00 -1.26 -4.38 105.19 102.92 3pbg n GLY 28 Ca 0.03 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 3pbg n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pbg s LYS 29 N -1.87 4.28 0.53 1.61 2.20 -0.07 -4.73 119.74 121.70 3pbg s LYS 29 Ca 0.00 2.20 -0.09 0.00 -0.36 0.00 0.00 55.97 57.72 3pbg s LYS 29 Cb 0.00 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 33.08 3pbg s LYS 29 CO 0.00 -0.49 0.91 0.20 -0.36 0.00 0.00 175.35 175.60 3pbg s GLY 30 N 1.03 1.67 0.66 5.54 0.00 0.28 -4.69 107.32 111.81 3pbg s GLY 30 Ca 0.66 -0.23 -0.14 0.00 0.00 0.00 0.00 44.72 45.01 3pbg s GLY 30 CO 0.32 -0.01 1.09 2.56 0.00 0.00 0.00 173.10 177.06 3pbg s PRO 31 N -4.76 2.85 0.15 2.90 0.04 -1.26 -4.82 135.00 130.10 3pbg s PRO 31 Ca 0.52 1.29 0.06 0.00 0.04 0.00 0.00 61.00 62.91 3pbg s PRO 31 Cb -0.11 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 3pbg s PRO 31 CO 0.46 -1.20 -0.13 0.54 0.04 0.00 0.00 177.00 176.71 3pbg s VAL 32 N -2.50 1.41 0.54 -0.36 0.11 -1.26 -0.89 120.40 117.45 3pbg s VAL 32 Ca 0.65 -1.94 0.28 0.00 -2.93 0.00 0.00 61.98 58.04 3pbg s VAL 32 Cb -0.19 -1.76 0.43 0.00 -1.53 0.00 0.00 36.38 33.34 3pbg s VAL 32 CO 0.43 -0.55 1.95 0.00 -3.33 0.00 0.00 175.10 173.61 3pbg h ALA 33 N 3.07 2.64 0.00 1.54 0.00 -1.89 -0.82 119.26 123.80 3pbg h ALA 33 Ca -0.39 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3pbg h ALA 33 Cb 1.20 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3pbg h ALA 33 CO 0.57 -0.85 -0.18 -1.49 0.00 0.00 0.00 179.25 177.30 3pbg h TRP 34 N 0.00 0.00 -0.19 0.00 4.06 -1.93 -2.93 115.95 114.96 3pbg h TRP 34 Ca 0.33 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.33 3pbg h TRP 34 Cb 1.32 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.41 3pbg h TRP 34 CO 0.00 0.18 -0.26 -0.44 -3.56 0.00 0.00 178.44 174.36 3pbg h ASP 35 N 0.00 -0.81 0.07 -3.49 3.32 -1.56 -0.32 116.42 113.62 3pbg h ASP 35 Ca -0.00 0.14 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 3pbg h ASP 35 Cb 0.44 0.37 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3pbg h ASP 35 CO 0.02 -0.30 -0.70 0.50 -1.72 0.00 0.00 179.24 177.04 3pbg h LYS 36 N -0.30 0.14 -0.75 3.56 1.63 -1.76 -3.34 116.57 115.76 3pbg h LYS 36 Ca 0.12 -0.25 0.15 0.00 -0.85 0.00 0.00 60.65 59.82 3pbg h LYS 36 Cb 0.48 0.09 -0.10 0.00 -0.60 0.00 0.00 32.23 32.10 3pbg h LYS 36 CO -0.36 1.12 0.26 -0.92 -3.45 0.00 0.00 179.45 176.10 3pbg h TYR 37 N -0.66 0.43 0.13 1.91 5.03 -1.45 -0.17 116.97 122.19 3pbg h TYR 37 Ca -0.15 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.19 3pbg h TYR 37 Cb 1.40 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.60 3pbg h TYR 37 CO 0.20 0.00 -0.06 -0.07 -1.32 0.00 0.00 178.16 176.91 3pbg h LEU 38 N 0.38 -0.15 -2.02 2.82 3.38 -1.23 -0.32 115.31 118.17 3pbg h LEU 38 Ca 0.42 -0.16 0.14 0.00 0.09 0.00 0.00 57.88 58.38 3pbg h LEU 38 Cb 0.68 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3pbg h LEU 38 CO -0.45 0.07 0.38 -0.08 0.09 0.00 0.00 178.44 178.45 3pbg h GLU 39 N -0.37 0.00 0.00 1.13 4.81 -1.32 0.16 114.58 118.99 3pbg h GLU 39 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3pbg h GLU 39 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3pbg h GLU 39 CO 0.03 0.00 -1.71 -0.25 -0.73 0.00 0.00 179.01 176.35 3pbg n ASP 40 N -4.20 0.26 0.00 1.04 8.00 -0.21 -4.61 116.55 116.83 3pbg n ASP 40 Ca 0.09 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.42 3pbg n ASP 40 Cb 0.59 1.66 0.00 0.00 -0.02 0.00 0.00 41.12 43.35 3pbg n ASP 40 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3pbg n ASN 41 N -2.13 0.77 -3.60 -2.24 5.03 -0.16 -5.07 115.26 107.86 3pbg n ASN 41 Ca -0.02 -1.15 -0.22 0.00 0.87 0.00 0.00 54.58 54.05 3pbg n ASN 41 Cb 0.52 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.20 3pbg n ASN 41 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3pbg s TYR 42 N -0.15 1.78 -2.25 3.10 2.02 0.00 -5.03 117.35 116.82 3pbg s TYR 42 Ca 0.00 -1.55 0.22 0.00 -0.37 0.00 0.00 57.07 55.37 3pbg s TYR 42 Cb 0.00 -0.88 0.47 0.00 -0.40 0.00 0.00 41.96 41.14 3pbg s TYR 42 CO 0.00 -0.68 1.42 -2.67 -1.57 0.00 0.00 175.55 172.05 3pbg n TRP 43 N -0.76 0.61 -4.01 2.71 2.14 -1.26 -4.76 117.44 112.11 3pbg n TRP 43 Ca 0.02 -0.32 -0.10 0.00 2.07 0.00 0.00 57.50 59.18 3pbg n TRP 43 Cb 0.63 -0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 31.05 3pbg n TRP 43 CO 0.00 0.00 0.00 1.52 2.07 0.00 0.00 177.69 181.28 3pbg s TYR 44 N -1.33 0.52 0.31 -2.67 1.13 -1.26 -5.11 117.35 108.94 3pbg s TYR 44 Ca 0.40 -0.87 0.06 0.00 -1.41 0.00 0.00 57.07 55.25 3pbg s TYR 44 Cb 0.23 -0.14 -0.06 0.00 -1.10 0.00 0.00 41.96 40.89 3pbg s TYR 44 CO 0.31 -0.70 -0.02 0.95 -2.51 0.00 0.00 175.55 173.57 3pbg s THR 45 N -4.00 1.62 -1.87 -3.49 -4.23 -1.26 -4.44 115.64 97.98 3pbg s THR 45 Ca 0.20 -2.08 0.24 0.00 -1.18 0.00 0.00 61.69 58.86 3pbg s THR 45 Cb 0.04 -2.61 0.62 0.00 1.34 0.00 0.00 72.50 71.88 3pbg s THR 45 CO 0.02 -0.18 1.78 0.00 -0.54 0.00 0.00 174.62 175.70 3pbg n ALA 46 N -0.67 2.34 -2.81 3.99 0.00 -1.26 -4.64 120.51 117.45 3pbg n ALA 46 Ca -0.05 -0.14 -0.34 0.00 0.00 0.00 0.00 53.44 52.91 3pbg n ALA 46 Cb 0.65 -1.38 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 3pbg n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3pbg s GLU 47 N -2.13 3.36 0.00 0.00 0.41 -1.26 -2.60 118.70 116.48 3pbg s GLU 47 Ca 0.33 -0.49 0.27 0.00 -0.41 0.00 0.00 54.97 54.66 3pbg s GLU 47 Cb 0.16 -2.84 0.89 0.00 -1.78 0.00 0.00 34.13 30.56 3pbg s GLU 47 CO 0.29 0.43 1.65 -0.35 -0.49 0.00 0.00 175.26 176.79 3pbg n PRO 48 N 2.96 1.78 0.00 0.39 -0.04 -1.26 -5.11 135.00 133.72 3pbg n PRO 48 Ca -0.18 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 3pbg n PRO 48 Cb 0.53 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3pbg n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3pbg n ALA 49 N 0.37 0.00 -0.64 0.55 0.00 -1.07 -2.36 120.51 117.36 3pbg n ALA 49 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.71 3pbg n ALA 49 Cb 0.39 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.19 3pbg n ALA 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3pbg n SER 50 N -1.70 4.75 -3.28 0.00 7.64 -1.12 -4.96 113.62 114.94 3pbg n SER 50 Ca 0.00 -2.48 -0.24 0.00 1.01 0.00 0.00 58.87 57.16 3pbg n SER 50 Cb 0.00 -0.57 0.02 0.00 -1.01 0.00 0.00 64.21 62.65 3pbg n SER 50 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3pbg n ASP 51 N 1.02 -4.95 0.09 6.43 2.03 -0.91 -4.84 116.55 115.41 3pbg n ASP 51 Ca 0.25 -0.39 0.17 0.00 0.52 0.00 0.00 54.79 55.35 3pbg n ASP 51 Cb 0.90 -4.02 0.71 0.00 -0.72 0.00 0.00 41.12 37.98 3pbg n ASP 51 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3pbg h PHE 52 N -1.33 0.00 -0.26 -0.67 3.57 -0.79 0.73 116.94 118.20 3pbg h PHE 52 Ca -0.49 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.08 3pbg h PHE 52 Cb 1.33 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 3pbg h PHE 52 CO 0.59 0.00 0.21 -0.92 -2.23 0.00 0.00 178.31 175.97 3pbg h TYR 53 N 0.00 0.00 0.00 0.41 3.20 -1.76 -0.25 116.97 118.58 3pbg h TYR 53 Ca 0.18 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3pbg h TYR 53 Cb 0.74 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 3pbg h TYR 53 CO 0.00 0.00 -1.19 0.72 -1.64 0.00 0.00 178.16 176.05 3pbg n HIS 54 N -4.20 0.00 0.83 -3.82 8.25 -0.27 -4.72 115.22 111.29 3pbg n HIS 54 Ca 0.03 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.61 3pbg n HIS 54 Cb 0.36 -0.10 0.10 0.00 1.12 0.00 0.00 29.99 31.47 3pbg n HIS 54 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3pbg n LYS 55 N -1.72 0.12 -0.33 -0.41 4.76 0.09 -4.49 118.16 116.17 3pbg n LYS 55 Ca -0.02 0.00 0.31 0.00 -2.87 0.00 0.00 58.31 55.73 3pbg n LYS 55 Cb 0.19 -1.54 0.57 0.00 -1.84 0.00 0.00 35.03 32.41 3pbg n LYS 55 CO 0.00 0.00 0.00 0.10 -1.37 0.00 0.00 177.40 176.13 3pbg h TYR 56 N 0.00 0.83 -0.10 2.13 -0.00 -1.28 0.37 116.97 118.93 3pbg h TYR 56 Ca 0.00 0.04 -0.06 0.00 -0.00 0.00 0.00 58.73 58.71 3pbg h TYR 56 Cb 0.59 -0.20 -0.01 0.00 -0.00 0.00 0.00 36.73 37.11 3pbg h TYR 56 CO 0.00 -0.39 -0.20 -1.00 -0.00 0.00 0.00 178.16 176.57 3pbg h PRO 57 N 0.08 0.16 -0.02 0.10 0.13 -1.87 -1.90 132.00 128.68 3pbg h PRO 57 Ca 0.82 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 65.76 3pbg h PRO 57 Cb 2.15 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 33.27 3pbg h PRO 57 CO -0.71 0.36 -0.58 0.28 -0.23 0.00 0.00 178.00 177.12 3pbg h VAL 58 N 0.15 1.42 -0.68 1.56 2.07 -0.60 -2.90 116.25 117.27 3pbg h VAL 58 Ca 0.03 -2.04 -0.02 0.00 0.82 0.00 0.00 66.70 65.49 3pbg h VAL 58 Cb 0.44 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 3pbg h VAL 58 CO 0.03 0.59 0.35 0.44 0.02 0.00 0.00 177.57 179.00 3pbg h ASP 59 N -0.08 0.85 0.15 0.57 3.32 -1.31 -2.75 116.42 117.18 3pbg h ASP 59 Ca -0.07 -0.08 -0.18 0.00 0.02 0.00 0.00 57.03 56.73 3pbg h ASP 59 Cb 1.28 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 3pbg h ASP 59 CO 0.12 0.71 -0.67 -0.07 -1.72 0.00 0.00 179.24 177.60 3pbg h LEU 60 N 0.96 0.56 -0.29 1.55 3.38 -1.41 0.10 115.31 120.16 3pbg h LEU 60 Ca 0.24 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3pbg h LEU 60 Cb 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3pbg h LEU 60 CO -0.04 1.07 0.03 -0.08 0.09 0.00 0.00 178.44 179.51 3pbg h GLU 61 N 0.34 0.49 0.23 1.13 4.81 -1.42 -1.08 114.58 119.08 3pbg h GLU 61 Ca -0.02 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3pbg h GLU 61 Cb 1.24 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3pbg h GLU 61 CO 0.12 0.61 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.83 3pbg h LEU 62 N 0.29 -0.26 -1.03 1.64 3.38 -1.45 0.19 115.31 118.07 3pbg h LEU 62 Ca 0.08 -0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.18 3pbg h LEU 62 Cb 0.38 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.10 3pbg h LEU 62 CO 0.01 -0.14 0.62 0.00 0.09 0.00 0.00 178.44 179.02 3pbg h ALA 63 N 0.40 1.64 -0.32 1.53 0.00 -0.70 0.79 119.26 122.60 3pbg h ALA 63 Ca -0.03 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3pbg h ALA 63 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3pbg h ALA 63 CO 0.05 0.04 -0.24 1.49 0.00 0.00 0.00 179.25 180.60 3pbg h GLU 64 N 0.84 0.73 -0.78 0.00 4.81 -0.60 0.11 114.58 119.69 3pbg h GLU 64 Ca 0.54 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3pbg h GLU 64 Cb 0.75 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 3pbg h GLU 64 CO -0.33 0.97 0.46 0.93 -0.73 0.00 0.00 179.01 180.31 3pbg h GLU 65 N 0.50 1.06 -0.69 1.92 5.08 0.16 -2.83 114.58 119.78 3pbg h GLU 65 Ca 0.06 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3pbg h GLU 65 Cb 0.80 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3pbg h GLU 65 CO 0.06 0.75 0.00 0.66 -1.00 0.00 0.00 179.01 179.49 3pbg n TYR 66 N -4.37 1.23 -0.28 4.33 4.02 -0.09 -4.93 117.16 117.06 3pbg n TYR 66 Ca 0.08 -0.44 0.00 0.00 -0.01 0.00 0.00 57.90 57.53 3pbg n TYR 66 Cb 0.07 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 3pbg n TYR 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3pbg n GLY 67 N 0.55 1.43 3.65 2.72 0.00 -1.07 -3.39 105.19 109.09 3pbg n GLY 67 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3pbg n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pbg s VAL 68 N -2.92 3.19 -0.28 1.61 1.01 0.35 -4.84 120.40 118.52 3pbg s VAL 68 Ca 0.00 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.27 3pbg s VAL 68 Cb 0.00 -3.15 0.16 0.00 0.00 0.00 0.00 36.38 33.38 3pbg s VAL 68 CO 0.00 -0.03 1.12 -0.46 0.00 0.00 0.00 175.10 175.73 3pbg n ASN 69 N 7.75 2.42 -3.72 3.32 6.94 -0.78 -4.35 115.26 126.84 3pbg n ASN 69 Ca 0.20 -2.21 -0.14 0.00 -0.02 0.00 0.00 54.58 52.41 3pbg n ASN 69 Cb 0.42 -0.16 -0.08 0.00 -2.36 0.00 0.00 39.78 37.61 3pbg n ASN 69 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3pbg s GLY 70 N -1.31 -0.21 -0.17 4.83 0.00 -1.25 -2.43 107.32 106.78 3pbg s GLY 70 Ca 0.13 0.39 -0.13 0.00 0.00 0.00 0.00 44.72 45.12 3pbg s GLY 70 CO 0.05 0.16 0.43 -1.50 0.00 0.00 0.00 173.10 172.24 3pbg s ILE 71 N -1.62 -0.01 -0.13 0.90 2.07 0.37 -2.13 121.20 120.64 3pbg s ILE 71 Ca -0.11 0.04 -0.09 0.00 -1.41 0.00 0.00 60.65 59.08 3pbg s ILE 71 Cb -0.03 -0.62 -0.04 0.00 0.13 0.00 0.00 42.46 41.90 3pbg s ILE 71 CO 0.03 0.02 0.18 -0.13 -1.91 0.00 0.00 174.94 173.12 3pbg s ARG 72 N 0.74 3.75 0.08 3.50 0.52 -0.69 -0.36 118.95 126.50 3pbg s ARG 72 Ca -0.04 -0.08 -0.02 0.00 -0.52 0.00 0.00 55.73 55.06 3pbg s ARG 72 Cb -0.05 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 32.11 3pbg s ARG 72 CO -0.05 0.60 0.04 0.42 0.02 0.00 0.00 175.30 176.32 3pbg s ILE 73 N -0.54 0.17 0.04 1.52 1.01 -0.14 -2.37 121.20 120.89 3pbg s ILE 73 Ca 0.14 -1.74 0.03 0.00 0.00 0.00 0.00 60.65 59.08 3pbg s ILE 73 Cb -0.12 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 3pbg s ILE 73 CO 0.03 -0.76 -0.09 -0.94 0.00 0.00 0.00 174.94 173.18 3pbg s SER 74 N -2.95 1.04 -0.12 3.58 1.04 -1.26 -1.62 113.70 113.40 3pbg s SER 74 Ca 0.12 -0.49 -0.14 0.00 0.48 0.00 0.00 55.95 55.92 3pbg s SER 74 Cb 0.07 -0.01 -0.05 0.00 0.10 0.00 0.00 66.02 66.14 3pbg s SER 74 CO -0.06 -0.12 0.34 -0.63 0.98 0.00 0.00 173.24 173.74 3pbg s ILE 75 N -1.15 5.25 -0.75 -1.02 1.01 -0.46 -4.36 121.20 119.72 3pbg s ILE 75 Ca -0.06 0.65 -0.27 0.00 0.00 0.00 0.00 60.65 60.97 3pbg s ILE 75 Cb -0.09 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.75 3pbg s ILE 75 CO 0.01 0.42 1.29 0.00 0.00 0.00 0.00 174.94 176.66 3pbg s ALA 76 N 0.15 2.74 0.33 9.38 0.00 -1.26 -4.59 121.76 128.51 3pbg s ALA 76 Ca 0.19 -1.41 0.09 0.00 0.00 0.00 0.00 51.96 50.83 3pbg s ALA 76 Cb -0.14 -4.27 0.95 0.00 0.00 0.00 0.00 23.12 19.66 3pbg s ALA 76 CO 0.07 -3.31 1.60 2.35 0.00 0.00 0.00 175.76 176.46 3pbg h TRP 77 N 10.05 0.38 0.00 0.00 2.91 -1.82 0.66 115.95 128.12 3pbg h TRP 77 Ca -0.25 0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.82 3pbg h TRP 77 Cb 1.05 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.69 3pbg h TRP 77 CO 1.14 -0.38 0.00 -1.13 -1.03 0.00 0.00 178.44 177.04 3pbg n SER 78 N -5.33 0.00 -0.09 2.65 3.41 -1.26 -1.80 113.62 111.20 3pbg n SER 78 Ca 0.28 -0.93 -0.09 0.00 -0.26 0.00 0.00 58.87 57.87 3pbg n SER 78 Cb 0.92 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.73 3pbg n SER 78 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3pbg n ARG 79 N -0.83 0.99 -0.03 4.33 0.63 0.23 -0.55 116.66 121.43 3pbg n ARG 79 Ca 0.11 -0.01 -0.00 0.00 -0.92 0.00 0.00 57.85 57.02 3pbg n ARG 79 Cb 0.05 -1.47 -0.00 0.00 0.45 0.00 0.00 32.46 31.49 3pbg n ARG 79 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3pbg h ILE 80 N 0.00 0.00 -3.63 5.15 1.08 -1.39 -3.36 117.51 115.35 3pbg h ILE 80 Ca -0.49 -0.47 -0.73 0.00 -0.39 0.00 0.00 64.86 62.78 3pbg h ILE 80 Cb 2.12 0.00 -0.32 0.00 -3.07 0.00 0.00 36.82 35.55 3pbg h ILE 80 CO 0.03 0.00 -0.22 -0.36 -0.69 0.00 0.00 178.15 176.91 3pbg s PHE 81 N -1.32 3.52 0.33 1.37 0.08 -0.75 0.14 117.98 121.35 3pbg s PHE 81 Ca -0.01 -2.50 0.15 0.00 0.12 0.00 0.00 56.93 54.68 3pbg s PHE 81 Cb 0.00 -3.39 0.81 0.00 -0.57 0.00 0.00 43.02 39.87 3pbg s PHE 81 CO 0.02 -0.88 1.38 -1.35 -0.10 0.00 0.00 175.22 174.29 3pbg h PRO 82 N 7.23 0.00 0.00 0.24 0.11 -1.77 0.12 132.00 137.93 3pbg h PRO 82 Ca 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 3pbg h PRO 82 Cb 0.98 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 3pbg h PRO 82 CO 0.73 0.00 -0.29 0.25 -0.21 0.00 0.00 178.00 178.48 3pbg n THR 83 N -2.32 1.46 0.00 -1.15 -2.24 -1.26 -4.39 114.28 104.38 3pbg n THR 83 Ca -0.01 -1.96 0.00 0.00 -2.27 0.00 0.00 64.05 59.81 3pbg n THR 83 Cb 0.47 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 3pbg n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3pbg n GLY 84 N -0.95 1.97 1.96 3.38 0.00 0.40 -4.78 105.19 107.18 3pbg n GLY 84 Ca 0.13 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 3pbg n GLY 84 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3pbg n TYR 85 N 0.00 -1.41 0.00 1.61 4.11 -1.26 -4.86 117.16 115.35 3pbg n TYR 85 Ca 0.00 -1.14 0.00 0.00 -0.00 0.00 0.00 57.90 56.76 3pbg n TYR 85 Cb 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 39.34 39.75 3pbg n TYR 85 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3pbg n GLY 86 N -0.30 0.86 3.75 -7.48 0.00 -1.26 -4.80 105.19 95.95 3pbg n GLY 86 Ca -0.02 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 3pbg n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pbg s GLU 87 N 0.00 4.84 0.59 1.61 2.02 -1.26 -5.05 118.70 121.45 3pbg s GLU 87 Ca 0.00 1.50 -0.15 0.00 0.02 0.00 0.00 54.97 56.34 3pbg s GLU 87 Cb 0.00 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 3pbg s GLU 87 CO 0.00 0.48 1.04 0.08 0.02 0.00 0.00 175.26 176.88 3pbg s VAL 88 N -1.07 4.07 -0.33 2.63 1.01 -1.26 -4.42 120.40 121.03 3pbg s VAL 88 Ca 0.42 0.93 -0.07 0.00 0.00 0.00 0.00 61.98 63.26 3pbg s VAL 88 Cb -0.26 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.65 3pbg s VAL 88 CO 0.32 -0.63 0.11 0.21 0.00 0.00 0.00 175.10 175.11 3pbg s ASN 89 N -3.05 5.31 0.19 3.32 2.47 0.37 -4.95 114.94 118.60 3pbg s ASN 89 Ca 0.61 -0.97 -0.12 0.00 0.42 0.00 0.00 52.86 52.80 3pbg s ASN 89 Cb -0.14 -1.89 0.22 0.00 -1.45 0.00 0.00 41.25 37.98 3pbg s ASN 89 CO 0.38 -0.29 1.72 -0.33 -3.72 0.00 0.00 177.10 174.87 3pbg h GLU 90 N 8.25 0.27 -0.24 0.43 4.39 -1.89 -2.42 114.58 123.37 3pbg h GLU 90 Ca -0.26 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.32 3pbg h GLU 90 Cb 1.10 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 3pbg h GLU 90 CO 0.61 0.18 -0.29 0.87 -1.16 0.00 0.00 179.01 179.22 3pbg h LYS 91 N 0.28 0.49 0.83 2.33 1.57 -1.91 -2.54 116.57 117.61 3pbg h LYS 91 Ca 0.27 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3pbg h LYS 91 Cb 0.35 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.65 3pbg h LYS 91 CO -0.32 0.73 -0.40 0.78 -0.57 0.00 0.00 179.45 179.66 3pbg h GLY 92 N 1.04 -1.16 -0.15 3.86 0.00 -1.61 -2.12 103.07 102.93 3pbg h GLY 92 Ca 0.06 0.43 0.25 0.00 0.00 0.00 0.00 47.33 48.06 3pbg h GLY 92 CO 0.05 -0.42 0.60 -2.08 0.00 0.00 0.00 176.54 174.69 3pbg h VAL 93 N -1.22 0.53 -0.66 4.60 2.07 -1.44 0.24 116.25 120.37 3pbg h VAL 93 Ca -0.11 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 3pbg h VAL 93 Cb 0.86 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3pbg h VAL 93 CO 0.19 0.10 0.10 -0.08 0.02 0.00 0.00 177.57 177.90 3pbg h GLU 94 N 0.57 1.10 -0.29 1.57 4.81 -1.29 -3.07 114.58 117.99 3pbg h GLU 94 Ca 0.65 -0.30 0.02 0.00 -0.13 0.00 0.00 59.36 59.60 3pbg h GLU 94 Cb 1.24 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 3pbg h GLU 94 CO -0.47 1.01 0.14 0.35 -0.73 0.00 0.00 179.01 179.31 3pbg h PHE 95 N 1.03 0.26 -0.06 0.92 3.57 -0.25 -2.33 116.94 120.09 3pbg h PHE 95 Ca 0.20 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3pbg h PHE 95 Cb 0.45 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3pbg h PHE 95 CO 0.03 0.15 -0.17 1.88 -2.23 0.00 0.00 178.31 177.97 3pbg h TYR 96 N 0.30 0.09 -0.42 0.41 0.05 -1.49 -0.85 116.97 115.07 3pbg h TYR 96 Ca 0.12 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.81 3pbg h TYR 96 Cb 0.03 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3pbg h TYR 96 CO -0.10 0.26 -0.05 0.45 -1.05 0.00 0.00 178.16 177.68 3pbg h HIS 97 N 0.08 0.86 -0.67 4.88 3.86 -1.38 -0.58 115.15 122.20 3pbg h HIS 97 Ca 0.02 -0.17 -0.05 0.00 -1.16 0.00 0.00 60.37 59.01 3pbg h HIS 97 Cb 0.36 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 3pbg h HIS 97 CO 0.00 0.87 0.22 0.87 0.86 0.00 0.00 177.93 180.74 3pbg h LYS 98 N 0.60 1.04 0.53 2.45 1.57 -0.85 -1.53 116.57 120.38 3pbg h LYS 98 Ca 0.11 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3pbg h LYS 98 Cb 0.56 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.72 3pbg h LYS 98 CO 0.03 0.90 -0.26 1.25 -0.57 0.00 0.00 179.45 180.81 3pbg h LEU 99 N 0.98 -0.61 -0.88 2.94 5.85 -0.97 -1.98 115.31 120.65 3pbg h LEU 99 Ca 0.22 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.98 3pbg h LEU 99 Cb 0.29 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 3pbg h LEU 99 CO -0.01 -0.34 0.54 -0.26 -0.34 0.00 0.00 178.44 178.04 3pbg h PHE 100 N -0.85 1.00 -0.78 1.25 0.04 -1.04 -0.36 116.94 116.19 3pbg h PHE 100 Ca -0.07 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 3pbg h PHE 100 Cb 0.60 -0.32 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 3pbg h PHE 100 CO -0.01 0.48 0.44 0.00 -0.60 0.00 0.00 178.31 178.62 3pbg h ALA 101 N 1.43 1.32 -0.25 2.45 0.00 -1.20 -0.35 119.26 122.66 3pbg h ALA 101 Ca 0.40 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 3pbg h ALA 101 Cb 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3pbg h ALA 101 CO -0.20 0.57 -0.39 0.93 0.00 0.00 0.00 179.25 180.16 3pbg h GLU 102 N 1.08 0.57 -0.36 0.00 4.39 -0.38 -1.85 114.58 118.02 3pbg h GLU 102 Ca 0.28 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3pbg h GLU 102 Cb -0.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3pbg h GLU 102 CO -0.05 0.87 0.13 0.00 -1.16 0.00 0.00 179.01 178.80 3pbg h HIS 104 N 0.44 1.03 0.00 0.00 3.86 -0.81 -0.83 115.15 118.84 3pbg h HIS 104 Ca 0.12 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3pbg h HIS 104 Cb 0.21 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.36 3pbg h HIS 104 CO 0.00 0.74 0.00 1.57 0.86 0.00 0.00 177.93 181.10 3pbg h LYS 105 N 1.03 0.00 -0.01 2.45 2.10 -1.30 -2.70 116.57 118.13 3pbg h LYS 105 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 3pbg h LYS 105 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 3pbg h LYS 105 CO -0.04 0.00 -0.20 0.54 -2.00 0.00 0.00 179.45 177.75 3pbg n ARG 106 N -2.83 1.32 -1.23 0.07 5.12 -0.88 -4.95 116.66 113.28 3pbg n ARG 106 Ca 0.03 -0.90 -0.08 0.00 -1.93 0.00 0.00 57.85 54.98 3pbg n ARG 106 Cb 0.41 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 30.20 3pbg n ARG 106 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3pbg n HIS 107 N -0.06 0.00 -3.52 -1.55 8.25 -0.60 -4.78 115.22 112.96 3pbg n HIS 107 Ca 0.14 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.18 3pbg n HIS 107 Cb 0.40 -1.66 -0.10 0.00 1.12 0.00 0.00 29.99 29.75 3pbg n HIS 107 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3pbg s VAL 108 N -2.25 5.05 0.04 1.59 1.01 -0.42 -4.72 120.40 120.69 3pbg s VAL 108 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 3pbg s VAL 108 Cb 0.00 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 3pbg s VAL 108 CO 0.00 -0.22 1.42 -0.70 0.00 0.00 0.00 175.10 175.60 3pbg s GLU 109 N 1.65 4.29 -0.09 2.72 2.56 -1.02 -4.18 118.70 124.63 3pbg s GLU 109 Ca 0.04 2.02 -0.25 0.00 0.00 0.00 0.00 54.97 56.79 3pbg s GLU 109 Cb -0.19 -3.50 -0.03 0.00 2.00 0.00 0.00 34.13 32.42 3pbg s GLU 109 CO 0.09 -0.55 0.77 -1.25 -0.56 0.00 0.00 175.26 173.76 3pbg s PRO 110 N 2.10 4.41 -0.35 4.30 0.04 -1.26 -0.48 135.00 143.75 3pbg s PRO 110 Ca 0.65 0.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.63 3pbg s PRO 110 Cb -0.33 -3.49 0.07 0.00 0.04 0.00 0.00 34.50 30.78 3pbg s PRO 110 CO 0.28 -0.07 0.12 -0.06 0.04 0.00 0.00 177.00 177.31 3pbg s PHE 111 N 1.23 3.36 -0.19 0.56 0.40 0.51 -4.13 117.98 119.73 3pbg s PHE 111 Ca 0.39 -1.86 -0.09 0.00 -0.60 0.00 0.00 56.93 54.78 3pbg s PHE 111 Cb -0.18 -2.57 -0.05 0.00 0.51 0.00 0.00 43.02 40.74 3pbg s PHE 111 CO 0.18 -0.84 0.10 0.08 0.70 0.00 0.00 175.22 175.44 3pbg s VAL 112 N 1.28 5.13 -0.10 -0.44 1.01 -0.98 -0.96 120.40 125.34 3pbg s VAL 112 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 3pbg s VAL 112 Cb -0.21 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3pbg s VAL 112 CO -0.01 0.45 -0.01 -0.89 0.00 0.00 0.00 175.10 174.65 3pbg s THR 113 N 0.33 4.22 0.03 3.92 2.01 -0.64 -0.17 115.64 125.34 3pbg s THR 113 Ca 0.06 -0.27 -0.15 0.00 0.31 0.00 0.00 61.69 61.64 3pbg s THR 113 Cb -0.12 -2.79 -0.35 0.00 0.01 0.00 0.00 72.50 69.25 3pbg s THR 113 CO -0.01 0.58 1.01 -0.07 -0.69 0.00 0.00 174.62 175.44 3pbg h LEU 114 N 5.54 0.83 -7.63 4.42 3.38 -0.86 -1.22 115.31 119.77 3pbg h LEU 114 Ca -0.46 -0.88 -0.47 0.00 0.09 0.00 0.00 57.88 56.16 3pbg h LEU 114 Cb 1.19 -0.27 -0.37 0.00 0.09 0.00 0.00 40.66 41.30 3pbg h LEU 114 CO 0.57 1.69 -0.78 -2.28 0.09 0.00 0.00 178.44 177.72 3pbg s HIS 115 N -2.61 1.02 -0.41 1.13 5.04 -0.61 -4.38 115.29 114.46 3pbg s HIS 115 Ca -0.09 -0.40 0.03 0.00 -1.54 0.00 0.00 55.06 53.06 3pbg s HIS 115 Cb 0.04 -0.95 0.16 0.00 0.04 0.00 0.00 32.58 31.87 3pbg s HIS 115 CO 0.94 -0.37 0.30 -1.58 -2.34 0.00 0.00 174.74 171.70 3pbg s HIS 116 N 1.64 1.21 -1.27 3.88 2.46 -1.26 -1.59 115.29 120.35 3pbg s HIS 116 Ca 0.01 -2.20 0.00 0.00 0.47 0.00 0.00 55.06 53.35 3pbg s HIS 116 Cb -0.13 -1.10 0.00 0.00 -0.13 0.00 0.00 32.58 31.22 3pbg s HIS 116 CO -0.05 -0.81 0.00 1.19 -2.47 0.00 0.00 174.74 172.60 3pbg n PHE 117 N 3.19 -1.08 -3.00 3.88 3.72 -1.26 -4.85 117.46 118.05 3pbg n PHE 117 Ca 0.22 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.46 3pbg n PHE 117 Cb 0.43 -2.92 -0.01 0.00 -0.94 0.00 0.00 39.48 36.04 3pbg n PHE 117 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3pbg n ASP 118 N -1.53 1.44 -4.74 4.37 5.75 -1.26 -4.94 116.55 115.63 3pbg n ASP 118 Ca -0.16 -3.01 -0.42 0.00 -0.01 0.00 0.00 54.79 51.19 3pbg n ASP 118 Cb 0.58 -0.58 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 3pbg n ASP 118 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3pbg s THR 119 N -2.90 2.09 0.31 2.12 2.01 -1.26 -4.56 115.64 113.44 3pbg s THR 119 Ca 0.37 0.08 -0.29 0.00 0.31 0.00 0.00 61.69 62.16 3pbg s THR 119 Cb 0.38 -3.05 -0.13 0.00 0.01 0.00 0.00 72.50 69.71 3pbg s THR 119 CO -0.06 0.01 1.23 -2.65 -0.69 0.00 0.00 174.62 172.46 3pbg n PRO 120 N 2.50 1.89 -0.19 4.92 -0.02 -1.26 -4.19 135.00 138.65 3pbg n PRO 120 Ca 0.09 0.66 -0.05 0.00 -2.02 0.00 0.00 63.50 62.19 3pbg n PRO 120 Cb 0.37 -2.20 0.01 0.00 -0.02 0.00 0.00 33.50 31.67 3pbg n PRO 120 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3pbg h GLU 121 N 2.66 -0.14 -0.98 -0.52 4.81 -1.30 -1.96 114.58 117.15 3pbg h GLU 121 Ca -0.44 0.01 0.25 0.00 -0.13 0.00 0.00 59.36 59.05 3pbg h GLU 121 Cb 1.30 0.03 -0.18 0.00 0.63 0.00 0.00 28.75 30.53 3pbg h GLU 121 CO 0.64 -0.10 -0.06 0.00 -0.73 0.00 0.00 179.01 178.77 3pbg n ALA 122 N -3.11 0.42 0.09 2.92 0.00 -1.26 -0.20 120.51 119.38 3pbg n ALA 122 Ca 0.04 1.05 0.04 0.00 0.00 0.00 0.00 53.44 54.58 3pbg n ALA 122 Cb 0.35 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 3pbg n ALA 122 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3pbg h LEU 123 N 0.00 0.00 0.22 0.00 3.38 -1.74 -3.34 115.31 113.82 3pbg h LEU 123 Ca 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.51 3pbg h LEU 123 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3pbg h LEU 123 CO -0.94 0.36 -0.11 -0.74 0.09 0.00 0.00 178.44 177.11 3pbg h HIS 124 N 0.00 -0.27 0.00 1.13 2.76 0.16 -2.25 115.15 116.68 3pbg h HIS 124 Ca -0.07 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 3pbg h HIS 124 Cb 1.34 0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.39 3pbg h HIS 124 CO 0.00 0.06 0.00 0.43 -1.30 0.00 0.00 177.93 177.12 3pbg n SER 125 N -5.07 0.28 -0.78 3.26 7.64 0.36 -1.00 113.62 118.32 3pbg n SER 125 Ca -0.09 -0.76 0.05 0.00 1.01 0.00 0.00 58.87 59.08 3pbg n SER 125 Cb 0.24 -0.14 0.11 0.00 -1.01 0.00 0.00 64.21 63.41 3pbg n SER 125 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3pbg n ASN 126 N 0.11 1.36 0.00 6.43 2.85 -0.98 -4.92 115.26 120.10 3pbg n ASN 126 Ca 0.00 -2.91 0.00 0.00 -0.11 0.00 0.00 54.58 51.56 3pbg n ASN 126 Cb 0.07 -0.40 0.00 0.00 1.24 0.00 0.00 39.78 40.70 3pbg n ASN 126 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3pbg n GLY 127 N -0.51 0.89 7.00 8.20 0.00 -0.53 -4.63 105.19 115.61 3pbg n GLY 127 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3pbg n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3pbg n ASP 128 N 0.07 0.00 -0.39 1.61 2.03 -0.17 0.01 116.55 119.72 3pbg n ASP 128 Ca 0.00 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.39 3pbg n ASP 128 Cb 0.00 0.00 0.31 0.00 -0.72 0.00 0.00 41.12 40.71 3pbg n ASP 128 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3pbg n PHE 129 N 14.00 0.20 0.55 -0.67 3.01 -1.26 -3.00 117.46 130.29 3pbg n PHE 129 Ca 0.00 -0.10 0.13 0.00 1.01 0.00 0.00 57.45 58.48 3pbg n PHE 129 Cb 0.00 0.00 0.29 0.00 -0.01 0.00 0.00 39.48 39.76 3pbg n PHE 129 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3pbg h LEU 130 N 1.41 0.00 -8.41 4.37 3.38 -0.77 -3.42 115.31 111.88 3pbg h LEU 130 Ca 0.00 -0.08 -0.70 0.00 0.09 0.00 0.00 57.88 57.19 3pbg h LEU 130 Cb 0.31 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.87 3pbg h LEU 130 CO 0.00 0.04 -0.12 0.21 0.09 0.00 0.00 178.44 178.66 3pbg s ASN 131 N -4.59 6.20 0.64 -0.43 3.84 -1.05 -4.96 114.94 114.58 3pbg s ASN 131 Ca 0.08 -0.96 0.33 0.00 0.21 0.00 0.00 52.86 52.53 3pbg s ASN 131 Cb 0.12 -2.24 1.80 0.00 -0.55 0.00 0.00 41.25 40.37 3pbg s ASN 131 CO 0.65 -0.74 2.01 0.03 -2.79 0.00 0.00 177.10 176.26 3pbg h ARG 132 N 8.86 0.00 -0.14 0.43 3.08 -1.87 -1.26 114.38 123.48 3pbg h ARG 132 Ca -0.27 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 3pbg h ARG 132 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 3pbg h ARG 132 CO 0.89 0.00 0.03 1.49 -1.07 0.00 0.00 179.97 181.32 3pbg h GLU 133 N 0.00 0.22 0.00 0.04 4.81 -1.93 -2.13 114.58 115.60 3pbg h GLU 133 Ca 0.00 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3pbg h GLU 133 Cb 0.47 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3pbg h GLU 133 CO 0.00 0.38 -0.00 -0.91 -0.73 0.00 0.00 179.01 177.75 3pbg h ASN 134 N 0.02 0.00 -0.32 1.04 2.35 -1.50 -0.09 115.58 117.09 3pbg h ASN 134 Ca 0.04 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3pbg h ASN 134 Cb 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3pbg h ASN 134 CO 0.00 0.00 0.09 0.40 -1.65 0.00 0.00 177.43 176.27 3pbg h ILE 135 N 0.00 1.21 -0.42 2.81 2.04 -1.42 -2.64 117.51 119.10 3pbg h ILE 135 Ca -0.00 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.21 3pbg h ILE 135 Cb 0.05 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3pbg h ILE 135 CO 0.00 0.23 0.19 -0.33 0.00 0.00 0.00 178.15 178.24 3pbg h GLU 136 N 0.35 0.37 0.00 2.37 4.39 -1.02 -1.33 114.58 119.71 3pbg h GLU 136 Ca 0.10 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3pbg h GLU 136 Cb 0.27 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3pbg h GLU 136 CO -0.00 0.24 -0.05 0.45 -1.16 0.00 0.00 179.01 178.49 3pbg h HIS 137 N 0.38 0.00 0.40 4.33 3.86 -1.40 -2.06 115.15 120.66 3pbg h HIS 137 Ca 0.18 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 3pbg h HIS 137 Cb 0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3pbg h HIS 137 CO -0.12 0.05 -0.19 0.35 0.86 0.00 0.00 177.93 178.88 3pbg h PHE 138 N 0.00 -0.50 -1.00 2.45 3.57 -0.88 -0.54 116.94 120.04 3pbg h PHE 138 Ca -0.00 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.69 3pbg h PHE 138 Cb 0.10 0.17 -0.10 0.00 2.79 0.00 0.00 35.95 38.91 3pbg h PHE 138 CO 0.00 -0.17 0.61 0.82 -2.23 0.00 0.00 178.31 177.34 3pbg h ILE 139 N -0.93 0.67 -0.34 1.41 5.03 -1.17 0.35 117.51 122.53 3pbg h ILE 139 Ca -0.06 -0.23 -0.04 0.00 -0.12 0.00 0.00 64.86 64.41 3pbg h ILE 139 Cb 0.55 -0.07 -0.01 0.00 -3.03 0.00 0.00 36.82 34.26 3pbg h ILE 139 CO 0.09 0.12 0.04 0.44 -0.68 0.00 0.00 178.15 178.16 3pbg h ASP 140 N 0.68 0.55 -0.44 1.72 5.19 -1.24 0.02 116.42 122.90 3pbg h ASP 140 Ca 0.58 -0.28 -0.00 0.00 -0.62 0.00 0.00 57.03 56.71 3pbg h ASP 140 Cb 1.02 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.36 3pbg h ASP 140 CO -0.36 0.69 0.27 0.22 -3.12 0.00 0.00 179.24 176.94 3pbg h TYR 141 N 0.40 0.57 0.77 4.55 3.20 0.86 -1.98 116.97 125.33 3pbg h TYR 141 Ca 0.10 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 3pbg h TYR 141 Cb 0.38 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 3pbg h TYR 141 CO 0.03 0.39 -0.45 0.00 -1.64 0.00 0.00 178.16 176.49 3pbg h ALA 142 N 1.13 -1.17 -0.97 1.82 0.00 -0.22 -2.24 119.26 117.62 3pbg h ALA 142 Ca 0.16 -0.24 0.27 0.00 0.00 0.00 0.00 54.91 55.10 3pbg h ALA 142 Cb -0.02 0.54 -0.13 0.00 0.00 0.00 0.00 17.79 18.17 3pbg h ALA 142 CO -0.03 -1.17 0.52 0.00 0.00 0.00 0.00 179.25 178.57 3pbg h ALA 143 N -0.99 1.74 -0.35 0.00 0.00 -0.90 0.15 119.26 118.92 3pbg h ALA 143 Ca -0.10 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3pbg h ALA 143 Cb 0.90 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3pbg h ALA 143 CO 0.12 -0.40 0.02 0.35 0.00 0.00 0.00 179.25 179.33 3pbg h PHE 144 N 0.43 0.66 -0.21 0.00 3.57 -1.17 -2.52 116.94 117.70 3pbg h PHE 144 Ca 0.65 -0.11 -0.09 0.00 3.53 0.00 0.00 57.97 61.95 3pbg h PHE 144 Cb 1.34 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 3pbg h PHE 144 CO -0.05 0.70 -0.27 0.00 -2.23 0.00 0.00 178.31 176.46 3pbg h PHE 146 N 0.35 0.83 0.02 0.00 0.04 -0.92 -1.40 116.94 115.86 3pbg h PHE 146 Ca 0.05 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 3pbg h PHE 146 Cb 0.66 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.57 3pbg h PHE 146 CO 0.02 0.70 -0.01 1.49 -0.60 0.00 0.00 178.31 179.91 3pbg h GLU 147 N 0.78 -0.03 -0.20 1.51 4.57 -1.13 -3.38 114.58 116.70 3pbg h GLU 147 Ca 0.17 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.27 3pbg h GLU 147 Cb 0.29 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3pbg h GLU 147 CO -0.00 0.71 -0.25 1.49 -1.18 0.00 0.00 179.01 179.78 3pbg h GLU 148 N -0.92 0.37 -3.38 1.92 4.57 -0.82 -3.38 114.58 112.93 3pbg h GLU 148 Ca -0.00 -0.13 -0.71 0.00 -1.18 0.00 0.00 59.36 57.33 3pbg h GLU 148 Cb 0.75 -0.03 -0.34 0.00 -0.16 0.00 0.00 28.75 28.97 3pbg h GLU 148 CO 0.00 0.59 -0.08 -0.06 -1.18 0.00 0.00 179.01 178.29 3pbg s PHE 149 N -4.49 3.86 -0.98 0.92 0.08 -0.53 -4.88 117.98 111.96 3pbg s PHE 149 Ca -0.06 -2.94 0.27 0.00 0.12 0.00 0.00 56.93 54.33 3pbg s PHE 149 Cb 0.14 -3.30 1.15 0.00 -0.57 0.00 0.00 43.02 40.44 3pbg s PHE 149 CO 0.77 -0.77 1.87 -0.35 -0.10 0.00 0.00 175.22 176.64 3pbg n PRO 150 N 2.55 0.02 0.12 0.24 -0.04 -1.26 -3.54 135.00 133.08 3pbg n PRO 150 Ca 0.20 0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 3pbg n PRO 150 Cb 0.38 -1.52 0.46 0.00 -0.04 0.00 0.00 33.50 32.78 3pbg n PRO 150 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3pbg n GLU 151 N -1.55 0.22 -3.05 0.54 4.71 -1.26 -4.76 120.64 115.49 3pbg n GLU 151 Ca 0.07 0.35 -0.40 0.00 -0.01 0.00 0.00 57.16 57.17 3pbg n GLU 151 Cb 0.33 -1.86 -0.05 0.00 -1.01 0.00 0.00 31.44 28.85 3pbg n GLU 151 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3pbg s VAL 152 N -3.25 5.02 -0.11 2.62 1.01 -1.23 -4.97 120.40 119.49 3pbg s VAL 152 Ca 0.06 1.39 0.20 0.00 0.00 0.00 0.00 61.98 63.63 3pbg s VAL 152 Cb 0.10 -4.02 -0.27 0.00 0.00 0.00 0.00 36.38 32.20 3pbg s VAL 152 CO 0.47 0.19 0.39 0.59 0.00 0.00 0.00 175.10 176.73 3pbg n ASN 153 N 4.31 0.14 -4.13 3.32 3.02 -1.26 -4.82 115.26 115.84 3pbg n ASN 153 Ca -0.01 0.06 -0.28 0.00 -0.03 0.00 0.00 54.58 54.33 3pbg n ASN 153 Cb 0.51 1.33 -0.17 0.00 -0.61 0.00 0.00 39.78 40.84 3pbg n ASN 153 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3pbg s TYR 154 N -3.05 1.91 0.00 3.10 2.02 -1.26 0.11 117.35 120.18 3pbg s TYR 154 Ca -0.08 -0.68 0.04 0.00 -0.37 0.00 0.00 57.07 55.99 3pbg s TYR 154 Cb 0.10 -1.31 -0.01 0.00 -0.40 0.00 0.00 41.96 40.34 3pbg s TYR 154 CO 0.86 -0.28 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.85 3pbg s TRP 155 N 0.32 1.17 -0.03 2.71 0.52 0.24 -2.33 118.94 121.55 3pbg s TRP 155 Ca -0.12 -0.25 0.03 0.00 0.02 0.00 0.00 56.10 55.79 3pbg s TRP 155 Cb -0.15 -0.74 0.00 0.00 -1.15 0.00 0.00 33.47 31.43 3pbg s TRP 155 CO 0.05 -0.01 -0.12 0.95 0.02 0.00 0.00 176.95 177.83 3pbg s THR 156 N -0.42 1.05 0.00 2.01 -4.23 0.75 -1.00 115.64 113.80 3pbg s THR 156 Ca 0.04 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 3pbg s THR 156 Cb -0.06 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 72.87 3pbg s THR 156 CO -0.00 0.31 0.38 0.35 -0.54 0.00 0.00 174.62 175.12 3pbg n THR 157 N 3.21 0.00 -4.39 3.99 -2.24 -1.12 -1.37 114.28 112.37 3pbg n THR 157 Ca -0.18 0.78 -0.30 0.00 -2.27 0.00 0.00 64.05 62.08 3pbg n THR 157 Cb 0.54 -1.60 -0.11 0.00 -2.10 0.00 0.00 70.33 67.05 3pbg n THR 157 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3pbg s PHE 158 N -1.42 2.63 -0.27 4.78 0.08 -1.26 -1.58 117.98 120.94 3pbg s PHE 158 Ca 0.00 -0.21 -0.07 0.00 0.12 0.00 0.00 56.93 56.77 3pbg s PHE 158 Cb 0.00 -1.42 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 3pbg s PHE 158 CO 0.00 0.36 0.07 1.21 -0.10 0.00 0.00 175.22 176.76 3pbg s ASN 159 N -1.92 5.05 -0.43 1.36 2.47 -0.62 -2.89 114.94 117.95 3pbg s ASN 159 Ca 0.18 -0.45 -0.18 0.00 0.42 0.00 0.00 52.86 52.82 3pbg s ASN 159 Cb -0.11 -1.89 0.02 0.00 -1.45 0.00 0.00 41.25 37.83 3pbg s ASN 159 CO 0.10 -0.11 0.60 -0.62 -3.72 0.00 0.00 177.10 173.35 3pbg n GLU 160 N 4.89 -2.35 -0.03 0.43 1.02 0.32 -4.63 120.64 120.30 3pbg n GLU 160 Ca -0.16 2.06 -0.16 0.00 -0.02 0.00 0.00 57.16 58.89 3pbg n GLU 160 Cb 0.50 -5.32 -0.09 0.00 -0.02 0.00 0.00 31.44 26.51 3pbg n GLU 160 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3pbg h ILE 161 N 2.01 1.38 0.01 -3.67 2.04 -1.87 -3.13 117.51 114.29 3pbg h ILE 161 Ca -0.06 -1.79 0.03 0.00 1.00 0.00 0.00 64.86 64.05 3pbg h ILE 161 Cb 1.04 2.23 -0.05 0.00 -0.74 0.00 0.00 36.82 39.29 3pbg h ILE 161 CO 0.20 0.53 -0.38 1.23 0.00 0.00 0.00 178.15 179.73 3pbg h GLY 162 N 0.04 -0.69 1.77 5.37 0.00 -1.89 -1.99 103.07 105.68 3pbg h GLY 162 Ca -0.03 0.46 0.01 0.00 0.00 0.00 0.00 47.33 47.78 3pbg h GLY 162 CO 0.09 -0.25 0.10 -2.55 0.00 0.00 0.00 176.54 173.94 3pbg h PRO 163 N -0.55 0.00 0.02 4.80 0.11 -1.92 -1.57 132.00 132.89 3pbg h PRO 163 Ca 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 3pbg h PRO 163 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 3pbg h PRO 163 CO -0.29 0.00 -0.01 0.82 -0.21 0.00 0.00 178.00 178.31 3pbg h ILE 164 N 0.00 1.48 -0.83 4.15 2.04 -1.31 -0.47 117.51 122.57 3pbg h ILE 164 Ca 0.02 -1.76 0.07 0.00 1.00 0.00 0.00 64.86 64.18 3pbg h ILE 164 Cb 0.22 2.63 -0.06 0.00 -0.74 0.00 0.00 36.82 38.87 3pbg h ILE 164 CO -0.00 0.44 0.50 1.23 0.00 0.00 0.00 178.15 180.32 3pbg h GLY 165 N -0.82 1.26 0.90 5.37 0.00 -1.20 0.22 103.07 108.80 3pbg h GLY 165 Ca -0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3pbg h GLY 165 CO 0.00 0.21 -0.24 -1.80 0.00 0.00 0.00 176.54 174.72 3pbg h ASP 166 N 0.88 -0.56 -0.20 0.19 3.58 -1.37 0.06 116.42 119.00 3pbg h ASP 166 Ca 0.37 -0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.72 3pbg h ASP 166 Cb 0.23 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 3pbg h ASP 166 CO -0.20 -0.32 -0.08 1.23 -2.88 0.00 0.00 179.24 177.00 3pbg h GLY 167 N -0.77 0.60 0.70 -0.78 0.00 -0.60 0.03 103.07 102.24 3pbg h GLY 167 Ca -0.07 -0.40 -0.34 0.00 0.00 0.00 0.00 47.33 46.52 3pbg h GLY 167 CO 0.11 0.37 -1.93 -1.06 0.00 0.00 0.00 176.54 174.03 3pbg n GLN 168 N -4.22 0.72 -0.00 4.80 6.02 0.74 -0.36 117.38 125.07 3pbg n GLN 168 Ca 0.01 0.27 0.05 0.00 -0.01 0.00 0.00 57.00 57.32 3pbg n GLN 168 Cb 0.30 -1.73 -0.07 0.00 1.02 0.00 0.00 30.24 29.76 3pbg n GLN 168 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3pbg n TYR 169 N -3.34 0.00 -0.06 1.08 4.01 -0.01 -1.84 117.16 117.00 3pbg n TYR 169 Ca -0.28 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.37 3pbg n TYR 169 Cb 1.05 -0.16 -0.03 0.00 -0.31 0.00 0.00 39.34 39.89 3pbg n TYR 169 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3pbg n LEU 170 N -1.68 1.65 0.01 7.72 7.94 -0.71 -0.82 117.00 131.11 3pbg n LEU 170 Ca -0.01 0.27 -0.05 0.00 -1.11 0.00 0.00 56.01 55.11 3pbg n LEU 170 Cb 0.23 -0.62 -0.12 0.00 0.53 0.00 0.00 43.42 43.44 3pbg n LEU 170 CO 0.20 -0.27 -0.37 0.58 -1.11 0.00 0.00 177.39 176.43 3pbg h VAL 171 N -0.71 0.80 -3.15 1.96 2.07 -1.20 0.85 116.25 116.88 3pbg h VAL 171 Ca -0.09 -2.52 -0.25 0.00 0.82 0.00 0.00 66.70 64.66 3pbg h VAL 171 Cb 0.84 2.33 0.05 0.00 -1.52 0.00 0.00 31.29 32.99 3pbg h VAL 171 CO -0.05 0.46 -0.38 0.61 0.02 0.00 0.00 177.57 178.22 3pbg n GLY 172 N 1.48 -0.04 0.03 2.17 0.00 -0.83 -4.80 105.19 103.20 3pbg n GLY 172 Ca -0.13 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.81 3pbg n GLY 172 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3pbg n LYS 173 N -2.87 0.38 -4.34 1.61 2.85 0.51 -4.57 118.16 111.73 3pbg n LYS 173 Ca -0.06 -0.04 -0.32 0.00 -1.05 0.00 0.00 58.31 56.85 3pbg n LYS 173 Cb 0.57 -1.59 -0.10 0.00 -0.65 0.00 0.00 35.03 33.26 3pbg n LYS 173 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3pbg s PHE 174 N -3.27 2.95 0.57 5.58 0.08 -0.04 -4.91 117.98 118.93 3pbg s PHE 174 Ca 0.01 -0.01 -0.20 0.00 0.12 0.00 0.00 56.93 56.85 3pbg s PHE 174 Cb 0.14 -1.61 -0.05 0.00 -0.57 0.00 0.00 43.02 40.93 3pbg s PHE 174 CO 0.84 0.42 1.13 -2.30 -0.10 0.00 0.00 175.22 175.21 3pbg n PRO 175 N 1.32 1.22 0.19 0.24 -0.02 -1.26 -2.01 135.00 134.68 3pbg n PRO 175 Ca -0.14 0.46 0.03 0.00 -2.02 0.00 0.00 63.50 61.83 3pbg n PRO 175 Cb 0.52 -2.32 0.38 0.00 -0.02 0.00 0.00 33.50 32.06 3pbg n PRO 175 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3pbg h PRO 176 N 0.90 0.00 0.00 0.52 0.13 -1.93 -3.43 132.00 128.20 3pbg h PRO 176 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3pbg h PRO 176 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3pbg h PRO 176 CO 0.54 0.36 0.00 0.41 -0.23 0.00 0.00 178.00 179.07 3pbg n GLY 177 N -0.42 1.84 3.78 1.56 0.00 -0.85 -5.08 105.19 106.02 3pbg n GLY 177 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3pbg n GLY 177 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pbg s ILE 178 N -2.00 4.37 0.22 -0.61 1.01 -0.77 -4.73 121.20 118.70 3pbg s ILE 178 Ca 0.00 1.65 0.11 0.00 0.00 0.00 0.00 60.65 62.41 3pbg s ILE 178 Cb 0.00 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 3pbg s ILE 178 CO 0.00 0.41 -0.16 -0.54 0.00 0.00 0.00 174.94 174.65 3pbg s LYS 179 N -1.44 1.80 -0.28 2.79 1.02 -1.25 -2.49 119.74 119.89 3pbg s LYS 179 Ca 0.39 -1.51 0.00 0.00 0.02 0.00 0.00 55.97 54.87 3pbg s LYS 179 Cb -0.21 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 3pbg s LYS 179 CO 0.25 0.39 0.00 0.66 -0.92 0.00 0.00 175.35 175.73 3pbg n TYR 180 N -0.19 -1.57 -3.23 3.18 4.01 0.29 -4.79 117.16 114.86 3pbg n TYR 180 Ca -0.09 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.19 3pbg n TYR 180 Cb 0.57 -1.42 -0.01 0.00 -0.31 0.00 0.00 39.34 38.17 3pbg n TYR 180 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3pbg s ASP 181 N -1.80 7.06 0.45 7.72 -1.08 0.00 -4.87 116.67 124.15 3pbg s ASP 181 Ca 0.00 -3.09 0.31 0.00 -0.52 0.00 0.00 52.55 49.25 3pbg s ASP 181 Cb 0.00 -2.26 1.37 0.00 -1.46 0.00 0.00 42.92 40.57 3pbg s ASP 181 CO 0.00 -0.52 1.92 -0.07 0.52 0.00 0.00 175.17 177.02 3pbg h LEU 182 N 7.86 0.00 0.07 -1.34 3.38 -1.88 -2.62 115.31 120.78 3pbg h LEU 182 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3pbg h LEU 182 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3pbg h LEU 182 CO 0.99 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 179.49 3pbg h ALA 183 N 2.09 -0.09 -0.23 1.53 0.00 -1.90 -2.99 119.26 117.67 3pbg h ALA 183 Ca 0.00 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.68 3pbg h ALA 183 Cb 0.35 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 3pbg h ALA 183 CO 0.00 -0.20 -0.23 0.87 0.00 0.00 0.00 179.25 179.69 3pbg h LYS 184 N -0.79 -0.23 -0.79 0.00 1.57 -1.88 -0.37 116.57 114.08 3pbg h LYS 184 Ca -0.01 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.91 3pbg h LYS 184 Cb 0.62 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 32.85 3pbg h LYS 184 CO 0.02 -0.16 -0.39 0.28 -0.57 0.00 0.00 179.45 178.63 3pbg h VAL 185 N -0.24 0.07 -0.24 0.50 2.07 -1.52 0.26 116.25 117.15 3pbg h VAL 185 Ca 0.13 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.48 3pbg h VAL 185 Cb 0.45 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3pbg h VAL 185 CO -0.37 0.00 -0.52 -0.26 0.02 0.00 0.00 177.57 176.43 3pbg h PHE 186 N -0.10 1.00 -0.28 1.57 0.04 -1.27 -2.11 116.94 115.78 3pbg h PHE 186 Ca 0.27 -0.37 0.00 0.00 2.80 0.00 0.00 57.97 60.67 3pbg h PHE 186 Cb 0.56 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 3pbg h PHE 186 CO -0.78 1.18 0.18 0.37 -0.60 0.00 0.00 178.31 178.66 3pbg h GLN 187 N 0.53 0.38 -0.07 1.51 5.75 -0.07 0.36 115.11 123.50 3pbg h GLN 187 Ca 0.00 -0.02 -0.24 0.00 -0.15 0.00 0.00 58.65 58.24 3pbg h GLN 187 Cb 1.13 -0.08 0.01 0.00 1.07 0.00 0.00 27.48 29.61 3pbg h GLN 187 CO 0.12 0.26 -0.90 1.03 -2.65 0.00 0.00 178.83 176.69 3pbg h SER 188 N 0.39 0.85 -0.59 -0.69 0.87 -0.38 0.10 113.55 114.10 3pbg h SER 188 Ca 0.10 -0.62 -0.02 0.00 -1.23 0.00 0.00 61.79 60.03 3pbg h SER 188 Cb -0.03 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 3pbg h SER 188 CO -0.02 1.41 0.29 0.45 -0.53 0.00 0.00 176.83 178.43 3pbg h HIS 189 N 0.43 0.84 0.28 2.24 3.86 -0.68 -1.25 115.15 120.86 3pbg h HIS 189 Ca -0.08 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 3pbg h HIS 189 Cb 1.53 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.74 3pbg h HIS 189 CO 0.09 0.64 -0.13 1.25 0.86 0.00 0.00 177.93 180.63 3pbg h HIS 190 N 0.80 -0.35 -0.49 2.45 6.17 -0.87 -2.36 115.15 120.51 3pbg h HIS 190 Ca 0.20 -0.01 0.04 0.00 0.71 0.00 0.00 60.37 61.32 3pbg h HIS 190 Cb 0.11 0.12 -0.04 0.00 2.52 0.00 0.00 27.41 30.11 3pbg h HIS 190 CO -0.00 -0.04 0.25 -0.91 0.71 0.00 0.00 177.93 177.94 3pbg h ASN 191 N -0.68 0.36 0.20 3.26 2.35 -0.73 -2.08 115.58 118.26 3pbg h ASN 191 Ca -0.04 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 3pbg h ASN 191 Cb 0.47 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 3pbg h ASN 191 CO 0.06 0.25 -0.26 0.24 -1.65 0.00 0.00 177.43 176.08 3pbg h MET 192 N 0.49 0.11 0.00 0.81 2.86 -1.30 -1.96 114.93 115.93 3pbg h MET 192 Ca 0.21 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.72 3pbg h MET 192 Cb 0.11 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3pbg h MET 192 CO -0.15 0.36 -0.49 0.52 1.06 0.00 0.00 176.91 178.21 3pbg h MET 193 N 0.10 0.00 0.00 1.72 2.86 -0.88 -1.65 114.93 117.08 3pbg h MET 193 Ca 0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3pbg h MET 193 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3pbg h MET 193 CO 0.04 0.49 -0.00 0.28 1.06 0.00 0.00 176.91 178.78 3pbg h VAL 194 N 0.00 1.43 -0.95 -2.22 2.07 -1.02 -0.71 116.25 114.85 3pbg h VAL 194 Ca -0.00 -1.32 0.21 0.00 0.82 0.00 0.00 66.70 66.41 3pbg h VAL 194 Cb 1.07 2.33 -0.11 0.00 -1.52 0.00 0.00 31.29 33.05 3pbg h VAL 194 CO 0.06 0.34 0.53 0.28 0.02 0.00 0.00 177.57 178.80 3pbg h SER 195 N -0.57 0.60 0.34 0.57 0.02 -1.20 -0.93 113.55 112.38 3pbg h SER 195 Ca -0.00 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 3pbg h SER 195 Cb 0.56 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3pbg h SER 195 CO 0.00 0.15 -0.16 -0.74 -1.14 0.00 0.00 176.83 174.94 3pbg h HIS 196 N 0.60 -0.42 -0.35 3.45 -0.00 -1.15 -1.67 115.15 115.60 3pbg h HIS 196 Ca 0.58 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 61.04 3pbg h HIS 196 Cb 1.00 0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 28.54 3pbg h HIS 196 CO -0.05 -0.08 0.37 0.00 -0.00 0.00 0.00 177.93 178.17 3pbg h ALA 197 N -0.36 2.05 0.17 5.26 0.00 -0.08 0.69 119.26 126.99 3pbg h ALA 197 Ca -0.05 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.54 3pbg h ALA 197 Cb 0.52 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3pbg h ALA 197 CO 0.08 -0.55 -1.53 0.00 0.00 0.00 0.00 179.25 177.25 3pbg h ARG 198 N 0.00 0.36 0.16 0.00 3.08 -1.19 -3.05 114.38 113.73 3pbg h ARG 198 Ca 0.17 -0.61 -0.01 0.00 0.07 0.00 0.00 59.98 59.60 3pbg h ARG 198 Cb 0.91 0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3pbg h ARG 198 CO -0.00 1.29 -0.07 0.00 -1.07 0.00 0.00 179.97 180.11 3pbg h ALA 199 N 0.06 -0.21 -0.85 0.04 0.00 -0.16 -2.22 119.26 115.92 3pbg h ALA 199 Ca -0.30 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3pbg h ALA 199 Cb 1.96 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.78 3pbg h ALA 199 CO 0.15 -0.56 0.56 -0.24 0.00 0.00 0.00 179.25 179.16 3pbg h VAL 200 N -0.32 1.21 0.05 0.00 3.04 -1.09 -2.20 116.25 116.95 3pbg h VAL 200 Ca -0.02 -0.39 -0.00 0.00 -1.01 0.00 0.00 66.70 65.27 3pbg h VAL 200 Cb 0.25 -0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.49 3pbg h VAL 200 CO 0.03 0.21 -0.03 0.50 -1.01 0.00 0.00 177.57 177.28 3pbg h LYS 201 N 1.15 -0.07 -0.99 4.17 3.64 -1.41 -1.24 116.57 121.82 3pbg h LYS 201 Ca 0.32 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.80 3pbg h LYS 201 Cb -0.12 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.64 3pbg h LYS 201 CO -0.07 -0.04 0.63 1.25 -2.27 0.00 0.00 179.45 178.94 3pbg h LEU 202 N -0.07 0.95 -1.17 5.20 6.46 -1.18 0.47 115.31 125.97 3pbg h LEU 202 Ca -0.01 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.72 3pbg h LEU 202 Cb 0.06 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 3pbg h LEU 202 CO 0.01 0.55 -0.11 0.22 -0.62 0.00 0.00 178.44 178.48 3pbg h TYR 203 N 1.05 0.47 0.05 1.25 5.03 -1.03 -0.60 116.97 123.19 3pbg h TYR 203 Ca 0.47 -0.07 -0.23 0.00 2.58 0.00 0.00 58.73 61.48 3pbg h TYR 203 Cb 0.36 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 3pbg h TYR 203 CO -0.01 0.55 -1.05 0.87 -1.32 0.00 0.00 178.16 177.20 3pbg h LYS 204 N 0.41 0.17 0.09 1.82 1.79 0.28 -3.09 116.57 118.04 3pbg h LYS 204 Ca 0.08 -0.25 -0.00 0.00 -2.18 0.00 0.00 60.65 58.29 3pbg h LYS 204 Cb 0.46 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 3pbg h LYS 204 CO 0.03 1.07 -0.05 -0.44 -1.08 0.00 0.00 179.45 178.98 3pbg h ASP 205 N 0.06 -0.11 0.19 0.86 3.32 0.31 -2.65 116.42 118.41 3pbg h ASP 205 Ca -0.07 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3pbg h ASP 205 Cb 1.76 0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.34 3pbg h ASP 205 CO 0.16 0.31 0.00 0.29 -1.72 0.00 0.00 179.24 178.28 3pbg n LYS 206 N -4.95 0.21 -3.76 3.56 4.76 -0.28 -4.91 118.16 112.80 3pbg n LYS 206 Ca -0.09 0.14 -0.24 0.00 -2.87 0.00 0.00 58.31 55.26 3pbg n LYS 206 Cb 0.24 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.95 3pbg n LYS 206 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3pbg n GLY 207 N -0.24 -0.40 3.70 0.72 0.00 -1.00 -4.99 105.19 102.98 3pbg n GLY 207 Ca 0.06 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 3pbg n GLY 207 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3pbg s TYR 208 N -3.72 1.77 -0.97 1.61 1.51 -1.18 -4.98 117.35 111.40 3pbg s TYR 208 Ca 0.08 0.77 -0.12 0.00 -1.01 0.00 0.00 57.07 56.80 3pbg s TYR 208 Cb -0.03 -3.40 0.25 0.00 -0.11 0.00 0.00 41.96 38.67 3pbg s TYR 208 CO 0.84 -3.00 0.93 0.15 -1.11 0.00 0.00 175.55 173.36 3pbg s LYS 209 N -5.22 3.89 0.00 -0.62 -0.14 -1.26 -4.97 119.74 111.42 3pbg s LYS 209 Ca 0.67 -2.84 0.00 0.00 -1.36 0.00 0.00 55.97 52.44 3pbg s LYS 209 Cb -0.14 -4.49 0.00 0.00 -1.68 0.00 0.00 37.83 31.52 3pbg s LYS 209 CO 0.56 -1.27 0.00 0.41 -0.76 0.00 0.00 175.35 174.29 3pbg n GLY 210 N 3.34 -0.55 3.13 -3.33 0.00 -1.26 -4.72 105.19 101.80 3pbg n GLY 210 Ca 0.19 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 3pbg n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pbg s GLU 211 N -0.62 0.81 -0.01 1.61 2.02 0.12 -5.00 118.70 117.63 3pbg s GLU 211 Ca 0.00 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.25 3pbg s GLU 211 Cb 0.00 -0.78 -0.01 0.00 0.10 0.00 0.00 34.13 33.44 3pbg s GLU 211 CO 0.00 0.18 -0.10 -1.50 0.02 0.00 0.00 175.26 173.87 3pbg s ILE 212 N -0.99 0.78 0.00 -1.63 2.07 -1.25 0.83 121.20 121.01 3pbg s ILE 212 Ca -0.01 -0.42 0.00 0.00 -1.41 0.00 0.00 60.65 58.81 3pbg s ILE 212 Cb -0.08 -0.66 0.00 0.00 0.13 0.00 0.00 42.46 41.85 3pbg s ILE 212 CO 0.01 0.22 0.00 0.61 -1.91 0.00 0.00 174.94 173.88 3pbg n GLY 213 N 2.87 3.17 3.25 1.50 0.00 -0.17 -1.02 105.19 114.79 3pbg n GLY 213 Ca -0.14 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 3pbg n GLY 213 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pbg s VAL 214 N -2.59 1.51 -0.38 1.61 1.01 -1.24 -2.81 120.40 117.51 3pbg s VAL 214 Ca 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 61.98 60.45 3pbg s VAL 214 Cb 0.00 -1.41 0.09 0.00 0.00 0.00 0.00 36.38 35.05 3pbg s VAL 214 CO 0.00 -0.14 0.16 -0.69 0.00 0.00 0.00 175.10 174.43 3pbg s VAL 215 N -1.29 3.39 -0.06 2.92 1.01 -1.14 -0.90 120.40 124.33 3pbg s VAL 215 Ca 0.04 -1.76 -0.01 0.00 0.00 0.00 0.00 61.98 60.26 3pbg s VAL 215 Cb -0.10 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3pbg s VAL 215 CO 0.04 -0.51 -0.00 -1.00 0.00 0.00 0.00 175.10 173.63 3pbg s HIS 216 N 1.22 3.12 -0.17 5.22 3.76 0.20 -0.52 115.29 128.12 3pbg s HIS 216 Ca 0.04 0.15 -0.19 0.00 -0.15 0.00 0.00 55.06 54.91 3pbg s HIS 216 Cb -0.22 -1.75 -0.03 0.00 1.11 0.00 0.00 32.58 31.69 3pbg s HIS 216 CO -0.02 0.46 0.55 0.00 -0.85 0.00 0.00 174.74 174.88 3pbg s ALA 217 N -0.93 3.51 -0.42 -1.40 0.00 -1.26 -0.87 121.76 120.39 3pbg s ALA 217 Ca 0.15 -0.28 0.07 0.00 0.00 0.00 0.00 51.96 51.90 3pbg s ALA 217 Cb -0.11 -2.83 0.23 0.00 0.00 0.00 0.00 23.12 20.41 3pbg s ALA 217 CO 0.04 -0.35 0.51 1.28 0.00 0.00 0.00 175.76 177.24 3pbg n LEU 218 N 4.53 0.38 -4.73 0.00 4.77 -0.93 -4.83 117.00 116.19 3pbg n LEU 218 Ca -0.04 -4.70 -0.42 0.00 -0.03 0.00 0.00 56.01 50.82 3pbg n LEU 218 Cb 0.51 0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 42.06 3pbg n LEU 218 CO 0.43 2.03 0.96 -2.16 -1.33 0.00 0.00 177.39 177.31 3pbg s PRO 219 N -1.07 4.41 0.17 3.23 0.04 -1.26 -4.92 135.00 135.60 3pbg s PRO 219 Ca 0.35 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 3pbg s PRO 219 Cb 0.14 -3.24 -0.08 0.00 0.04 0.00 0.00 34.50 31.36 3pbg s PRO 219 CO -0.12 -0.24 1.22 0.99 0.04 0.00 0.00 177.00 178.89 3pbg s THR 220 N 0.41 3.55 -0.22 1.26 2.01 -1.24 -4.86 115.64 116.55 3pbg s THR 220 Ca 0.57 1.27 -0.05 0.00 0.31 0.00 0.00 61.69 63.80 3pbg s THR 220 Cb -0.34 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 3pbg s THR 220 CO 0.35 0.19 -0.00 -0.54 -0.69 0.00 0.00 174.62 173.92 3pbg s LYS 221 N -0.06 3.54 0.03 4.92 -0.14 -1.26 -0.59 119.74 126.18 3pbg s LYS 221 Ca 0.54 -0.55 0.08 0.00 -1.36 0.00 0.00 55.97 54.69 3pbg s LYS 221 Cb -0.33 -3.10 -0.03 0.00 -1.68 0.00 0.00 37.83 32.69 3pbg s LYS 221 CO 0.36 -0.10 -0.25 0.71 -0.76 0.00 0.00 175.35 175.31 3pbg s TYR 222 N 1.29 2.17 0.33 3.18 2.02 0.12 -4.91 117.35 121.55 3pbg s TYR 222 Ca 0.04 -0.40 -0.27 0.00 -0.37 0.00 0.00 57.07 56.07 3pbg s TYR 222 Cb -0.15 -1.32 -0.09 0.00 -0.40 0.00 0.00 41.96 40.00 3pbg s TYR 222 CO 0.01 0.09 1.07 -1.25 -1.57 0.00 0.00 175.55 173.89 3pbg s PRO 223 N -1.09 4.42 0.14 -1.71 0.04 -1.26 -0.12 135.00 135.42 3pbg s PRO 223 Ca 0.10 1.66 -0.17 0.00 0.04 0.00 0.00 61.00 62.63 3pbg s PRO 223 Cb -0.10 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.55 3pbg s PRO 223 CO 0.01 0.06 1.79 -0.92 0.04 0.00 0.00 177.00 177.98 3pbg h TYR 224 N 3.22 0.37 -3.41 0.56 3.20 -0.57 -3.34 116.97 116.99 3pbg h TYR 224 Ca -0.47 0.01 -0.63 0.00 3.14 0.00 0.00 58.73 60.77 3pbg h TYR 224 Cb 1.21 -0.12 -0.40 0.00 1.54 0.00 0.00 36.73 38.96 3pbg h TYR 224 CO 0.58 0.22 -0.71 0.34 -1.64 0.00 0.00 178.16 176.96 3pbg s ASP 225 N -5.46 4.36 0.64 -2.11 2.15 -1.26 -4.98 116.67 110.00 3pbg s ASP 225 Ca -0.13 -2.35 0.22 0.00 0.43 0.00 0.00 52.55 50.72 3pbg s ASP 225 Cb 0.10 -1.41 1.13 0.00 -0.30 0.00 0.00 42.92 42.45 3pbg s ASP 225 CO 0.71 -0.33 1.63 1.55 -0.17 0.00 0.00 175.17 178.56 3pbg h PRO 226 N 7.29 0.00 -0.15 4.34 0.13 -1.98 0.51 132.00 142.14 3pbg h PRO 226 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3pbg h PRO 226 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3pbg h PRO 226 CO 0.55 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.71 3pbg n GLU 227 N -3.04 1.68 -3.90 0.86 1.02 -1.26 -4.68 120.64 111.32 3pbg n GLU 227 Ca 0.04 -1.02 -0.35 0.00 -0.02 0.00 0.00 57.16 55.81 3pbg n GLU 227 Cb 0.74 -1.39 -0.13 0.00 -0.02 0.00 0.00 31.44 30.63 3pbg n GLU 227 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3pbg s ASN 228 N -1.58 4.93 0.42 1.62 3.84 0.18 -4.98 114.94 119.37 3pbg s ASN 228 Ca 0.32 -1.34 0.18 0.00 0.21 0.00 0.00 52.86 52.23 3pbg s ASN 228 Cb 0.17 -1.72 1.09 0.00 -0.55 0.00 0.00 41.25 40.24 3pbg s ASN 228 CO 0.26 -0.29 1.86 -0.65 -2.79 0.00 0.00 177.10 175.49 3pbg h PRO 229 N 8.00 0.38 -0.05 0.43 0.11 -1.83 0.13 132.00 139.17 3pbg h PRO 229 Ca -0.20 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.82 3pbg h PRO 229 Cb 1.06 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3pbg h PRO 229 CO 0.55 0.25 -0.26 0.00 -0.21 0.00 0.00 178.00 178.34 3pbg h ALA 230 N 1.61 1.49 0.20 -0.75 0.00 -1.93 0.21 119.26 120.09 3pbg h ALA 230 Ca 0.46 -0.26 -0.30 0.00 0.00 0.00 0.00 54.91 54.82 3pbg h ALA 230 Cb 1.17 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.94 3pbg h ALA 230 CO -0.17 0.37 -1.30 -0.44 0.00 0.00 0.00 179.25 177.71 3pbg h ASP 231 N 0.07 0.80 0.27 0.00 5.19 -1.08 -2.48 116.42 119.18 3pbg h ASP 231 Ca 0.01 -0.90 -0.00 0.00 -0.62 0.00 0.00 57.03 55.52 3pbg h ASP 231 Cb 0.50 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 3pbg h ASP 231 CO 0.04 1.63 -0.21 0.58 -3.12 0.00 0.00 179.24 178.15 3pbg h VAL 232 N 0.09 0.54 -0.64 -1.35 2.07 -0.88 -0.68 116.25 115.40 3pbg h VAL 232 Ca -0.22 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.41 3pbg h VAL 232 Cb 2.01 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 32.24 3pbg h VAL 232 CO 0.25 0.00 0.23 -0.09 0.02 0.00 0.00 177.57 177.98 3pbg h ARG 233 N -0.49 0.39 -0.79 1.57 1.12 -0.69 -0.70 114.38 114.79 3pbg h ARG 233 Ca -0.02 -0.02 0.10 0.00 -1.11 0.00 0.00 59.98 58.93 3pbg h ARG 233 Cb 0.44 -0.09 -0.08 0.00 -0.01 0.00 0.00 29.97 30.23 3pbg h ARG 233 CO -0.02 0.26 0.42 0.00 -3.11 0.00 0.00 179.97 177.52 3pbg h ALA 234 N 1.46 1.12 -0.34 2.80 0.00 -0.86 -0.13 119.26 123.30 3pbg h ALA 234 Ca 0.33 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 3pbg h ALA 234 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3pbg h ALA 234 CO -0.34 0.01 -0.23 0.00 0.00 0.00 0.00 179.25 178.69 3pbg h ALA 235 N 1.46 0.49 -0.53 0.00 0.00 0.18 -2.63 119.26 118.24 3pbg h ALA 235 Ca 0.39 -0.38 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3pbg h ALA 235 Cb 0.42 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 3pbg h ALA 235 CO -0.28 0.47 0.09 0.93 0.00 0.00 0.00 179.25 180.47 3pbg h GLU 236 N 0.55 0.22 -0.14 0.00 5.08 0.29 0.74 114.58 121.31 3pbg h GLU 236 Ca 0.07 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 3pbg h GLU 236 Cb 0.79 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 3pbg h GLU 236 CO 0.06 0.14 -0.68 -0.07 -1.00 0.00 0.00 179.01 177.47 3pbg h LEU 237 N 0.22 0.67 -0.72 1.33 3.38 -1.14 -1.99 115.31 117.05 3pbg h LEU 237 Ca 0.27 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3pbg h LEU 237 Cb 0.38 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3pbg h LEU 237 CO -0.36 1.16 0.33 -0.08 0.09 0.00 0.00 178.44 179.58 3pbg h GLU 238 N 0.41 1.05 -0.40 1.13 4.57 -1.00 -1.08 114.58 119.26 3pbg h GLU 238 Ca -0.02 -0.16 -0.07 0.00 -1.18 0.00 0.00 59.36 57.92 3pbg h GLU 238 Cb 1.26 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 3pbg h GLU 238 CO 0.13 0.84 -0.03 0.22 -1.18 0.00 0.00 179.01 178.99 3pbg h ASP 239 N 1.02 0.72 -1.00 1.04 3.58 -0.87 -1.93 116.42 118.98 3pbg h ASP 239 Ca 0.25 -0.32 0.05 0.00 0.42 0.00 0.00 57.03 57.42 3pbg h ASP 239 Cb 0.14 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 40.93 3pbg h ASP 239 CO -0.03 0.87 0.65 0.40 -2.88 0.00 0.00 179.24 178.25 3pbg h ILE 240 N 0.55 1.13 -0.67 2.25 2.04 -0.80 1.00 117.51 123.01 3pbg h ILE 240 Ca 0.11 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 3pbg h ILE 240 Cb 0.52 -0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 3pbg h ILE 240 CO 0.03 0.22 0.09 0.40 0.00 0.00 0.00 178.15 178.89 3pbg h ILE 241 N 1.21 1.26 0.00 -0.67 2.04 -0.73 -3.04 117.51 117.59 3pbg h ILE 241 Ca 0.41 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3pbg h ILE 241 Cb 0.08 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3pbg h ILE 241 CO -0.15 0.40 -1.56 1.41 0.00 0.00 0.00 178.15 178.25 3pbg n HIS 242 N -4.20 0.00 0.10 1.37 8.25 -0.77 -4.89 115.22 115.07 3pbg n HIS 242 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3pbg n HIS 242 Cb 0.30 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3pbg n HIS 242 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3pbg n ASN 243 N -1.94 0.19 -0.11 0.41 3.02 0.34 -4.77 115.26 112.41 3pbg n ASN 243 Ca -0.01 0.33 -0.08 0.00 -0.03 0.00 0.00 54.58 54.79 3pbg n ASN 243 Cb 0.42 0.16 -0.02 0.00 -0.61 0.00 0.00 39.78 39.73 3pbg n ASN 243 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3pbg h LYS 244 N 0.00 -0.26 -0.44 3.52 1.79 -1.54 0.89 116.57 120.52 3pbg h LYS 244 Ca 0.00 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.56 3pbg h LYS 244 Cb 0.00 0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 30.62 3pbg h LYS 244 CO 0.00 -0.18 -0.41 0.35 -1.08 0.00 0.00 179.45 178.14 3pbg h PHE 245 N -0.27 -1.18 0.03 -1.35 3.57 -1.80 0.22 116.94 116.16 3pbg h PHE 245 Ca 0.16 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 3pbg h PHE 245 Cb 0.54 0.58 0.00 0.00 2.79 0.00 0.00 35.95 39.86 3pbg h PHE 245 CO -0.53 -0.43 -0.01 0.82 -2.23 0.00 0.00 178.31 175.93 3pbg h ILE 246 N -0.29 1.18 -0.98 1.41 2.04 -1.79 -2.69 117.51 116.38 3pbg h ILE 246 Ca 0.16 -0.66 0.14 0.00 1.00 0.00 0.00 64.86 65.50 3pbg h ILE 246 Cb 0.57 1.62 -0.09 0.00 -0.74 0.00 0.00 36.82 38.19 3pbg h ILE 246 CO -0.59 0.17 0.62 -0.07 0.00 0.00 0.00 178.15 178.27 3pbg h LEU 247 N -0.33 0.85 0.60 1.44 3.38 -0.37 0.02 115.31 120.91 3pbg h LEU 247 Ca -0.00 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3pbg h LEU 247 Cb 0.31 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.95 3pbg h LEU 247 CO 0.01 0.42 -0.29 0.44 0.09 0.00 0.00 178.44 179.11 3pbg h ASP 248 N 0.89 -0.68 -0.47 -0.43 5.19 -0.50 -0.05 116.42 120.37 3pbg h ASP 248 Ca 0.51 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 57.03 3pbg h ASP 248 Cb 0.62 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.28 3pbg h ASP 248 CO -0.28 -0.45 0.33 0.00 -3.12 0.00 0.00 179.24 175.72 3pbg h ALA 249 N -0.49 2.29 -0.20 3.45 0.00 -1.08 0.62 119.26 123.86 3pbg h ALA 249 Ca -0.08 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3pbg h ALA 249 Cb 0.64 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3pbg h ALA 249 CO 0.14 -0.42 -0.25 1.15 0.00 0.00 0.00 179.25 179.87 3pbg h THR 250 N 0.11 1.33 -0.00 0.00 2.02 -0.41 -3.26 112.91 112.69 3pbg h THR 250 Ca 0.22 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 65.97 3pbg h THR 250 Cb 0.73 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 3pbg h THR 250 CO -0.02 0.44 0.00 -1.22 0.37 0.00 0.00 175.52 175.08 3pbg n TYR 251 N -4.39 0.01 -0.01 3.16 4.01 -0.08 -4.47 117.16 115.38 3pbg n TYR 251 Ca -0.05 -0.07 -0.00 0.00 -0.16 0.00 0.00 57.90 57.62 3pbg n TYR 251 Cb 0.44 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.43 3pbg n TYR 251 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3pbg n LEU 252 N -0.01 0.00 0.00 7.72 4.77 0.21 -4.94 117.00 124.75 3pbg n LEU 252 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3pbg n LEU 252 Cb 0.06 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3pbg n LEU 252 CO 0.01 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 3pbg n GLY 253 N 2.54 1.42 3.77 -0.72 0.00 -1.10 -4.87 105.19 106.23 3pbg n GLY 253 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 3pbg n GLY 253 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3pbg s HIS 254 N -2.63 0.07 -0.13 1.61 0.00 -1.26 -3.65 115.29 109.31 3pbg s HIS 254 Ca 0.00 -0.55 -0.20 0.00 -3.00 0.00 0.00 55.06 51.31 3pbg s HIS 254 Cb 0.00 0.60 -0.04 0.00 -4.00 0.00 0.00 32.58 29.14 3pbg s HIS 254 CO 0.00 -1.27 0.58 0.71 -1.00 0.00 0.00 174.74 173.76 3pbg s TYR 255 N -3.49 3.49 0.97 0.38 2.02 -1.26 -3.79 117.35 115.66 3pbg s TYR 255 Ca 0.15 0.99 -0.11 0.00 -0.37 0.00 0.00 57.07 57.74 3pbg s TYR 255 Cb -0.04 -2.69 0.17 0.00 -0.40 0.00 0.00 41.96 39.00 3pbg s TYR 255 CO 0.09 0.05 1.09 -1.54 -1.57 0.00 0.00 175.55 173.68 3pbg s SER 256 N 0.83 2.68 0.17 2.29 1.04 -1.26 -4.73 113.70 114.72 3pbg s SER 256 Ca 0.30 1.73 -0.15 0.00 0.48 0.00 0.00 55.95 58.31 3pbg s SER 256 Cb -0.16 -2.35 0.08 0.00 0.10 0.00 0.00 66.02 63.69 3pbg s SER 256 CO 0.13 -3.17 1.80 0.44 0.98 0.00 0.00 173.24 173.41 3pbg h ASP 257 N -1.92 0.40 -0.68 7.02 3.32 -1.99 0.33 116.42 122.90 3pbg h ASP 257 Ca -0.50 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.50 3pbg h ASP 257 Cb 1.29 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 3pbg h ASP 257 CO 0.49 0.28 0.19 0.11 -1.72 0.00 0.00 179.24 178.60 3pbg h LYS 258 N 0.51 1.08 -0.18 3.56 1.57 -1.99 0.41 116.57 121.53 3pbg h LYS 258 Ca 0.19 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3pbg h LYS 258 Cb 0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3pbg h LYS 258 CO -0.10 0.94 0.07 1.15 -0.57 0.00 0.00 179.45 180.95 3pbg h THR 259 N 1.01 0.98 -0.81 -0.16 2.02 -1.74 0.51 112.91 114.72 3pbg h THR 259 Ca 0.22 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 3pbg h THR 259 Cb 0.33 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 3pbg h THR 259 CO -0.00 0.03 0.43 0.24 0.37 0.00 0.00 175.52 176.59 3pbg h MET 260 N 0.17 1.14 0.89 6.66 2.86 -0.62 0.21 114.93 126.24 3pbg h MET 260 Ca 0.08 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 3pbg h MET 260 Cb 0.03 -0.22 0.01 0.00 0.06 0.00 0.00 31.60 31.48 3pbg h MET 260 CO -0.07 0.85 -0.43 1.49 1.06 0.00 0.00 176.91 179.82 3pbg h GLU 261 N 1.13 -1.15 -0.96 1.72 4.22 -0.39 -0.49 114.58 118.66 3pbg h GLU 261 Ca 0.28 0.08 0.15 0.00 0.08 0.00 0.00 59.36 59.96 3pbg h GLU 261 Cb 0.06 0.26 -0.09 0.00 0.50 0.00 0.00 28.75 29.48 3pbg h GLU 261 CO -0.04 -0.76 0.61 0.78 -2.18 0.00 0.00 179.01 177.41 3pbg h GLY 262 N -1.26 1.50 0.84 1.92 0.00 -0.78 -1.59 103.07 103.70 3pbg h GLY 262 Ca -0.12 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3pbg h GLY 262 CO 0.20 0.06 0.00 -2.08 0.00 0.00 0.00 176.54 174.73 3pbg h VAL 263 N 0.80 1.13 -0.78 4.60 2.07 -0.59 -1.83 116.25 121.64 3pbg h VAL 263 Ca 0.50 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.70 3pbg h VAL 263 Cb 0.73 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 3pbg h VAL 263 CO -0.27 0.10 0.47 0.78 0.02 0.00 0.00 177.57 178.66 3pbg h ASN 264 N -0.16 0.73 0.64 0.57 -0.26 -0.23 -0.63 115.58 116.23 3pbg h ASN 264 Ca 0.00 0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.74 3pbg h ASN 264 Cb 0.16 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 3pbg h ASN 264 CO -0.00 0.47 -0.50 -0.74 -1.06 0.00 0.00 177.43 175.60 3pbg h HIS 265 N 0.86 -1.35 -0.80 1.19 2.76 -1.10 0.28 115.15 116.99 3pbg h HIS 265 Ca 0.34 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.69 3pbg h HIS 265 Cb 0.16 0.51 -0.12 0.00 1.55 0.00 0.00 27.41 29.51 3pbg h HIS 265 CO -0.05 -0.70 0.24 0.82 -1.30 0.00 0.00 177.93 176.94 3pbg h ILE 266 N -1.10 0.48 0.00 6.26 2.04 -0.92 0.33 117.51 124.60 3pbg h ILE 266 Ca -0.08 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3pbg h ILE 266 Cb 0.91 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3pbg h ILE 266 CO 0.02 0.05 -0.11 -0.07 0.00 0.00 0.00 178.15 178.04 3pbg h LEU 267 N 0.30 0.00 -0.02 1.44 3.38 -0.44 -1.77 115.31 118.19 3pbg h LEU 267 Ca 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.41 3pbg h LEU 267 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3pbg h LEU 267 CO -0.53 0.11 -0.08 0.00 0.09 0.00 0.00 178.44 178.04 3pbg h ALA 268 N 1.89 0.04 -0.55 1.53 0.00 0.33 0.34 119.26 122.83 3pbg h ALA 268 Ca -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 3pbg h ALA 268 Cb 0.70 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3pbg h ALA 268 CO 0.01 -0.09 0.00 0.93 0.00 0.00 0.00 179.25 180.11 3pbg h GLU 269 N -0.51 0.93 -0.00 0.00 4.39 -1.10 -3.24 114.58 115.05 3pbg h GLU 269 Ca -0.00 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3pbg h GLU 269 Cb 0.71 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3pbg h GLU 269 CO 0.02 0.92 -0.61 0.09 -1.16 0.00 0.00 179.01 178.27 3pbg n ASN 270 N -4.19 0.95 0.00 1.42 3.02 -0.68 -5.00 115.26 110.77 3pbg n ASN 270 Ca 0.03 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 3pbg n ASN 270 Cb 0.32 0.86 0.00 0.00 -0.61 0.00 0.00 39.78 40.36 3pbg n ASN 270 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pbg n GLY 271 N 1.30 -2.71 0.00 7.41 0.00 0.12 -4.97 105.19 106.34 3pbg n GLY 271 Ca 0.04 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3pbg n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pbg n GLY 272 N -1.16 3.54 3.15 -0.02 0.00 -1.22 -4.57 105.19 104.90 3pbg n GLY 272 Ca 0.00 -1.19 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 3pbg n GLY 272 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pbg s GLU 273 N -2.37 1.54 -0.20 1.61 0.41 -1.26 -4.94 118.70 113.49 3pbg s GLU 273 Ca 0.00 -0.61 -0.01 0.00 -0.41 0.00 0.00 54.97 53.94 3pbg s GLU 273 Cb 0.00 -1.43 0.01 0.00 -1.78 0.00 0.00 34.13 30.93 3pbg s GLU 273 CO 0.00 0.32 -0.13 -0.51 -0.49 0.00 0.00 175.26 174.45 3pbg s LEU 274 N -0.22 2.46 -0.69 1.80 1.43 -1.26 -4.89 118.68 117.31 3pbg s LEU 274 Ca 0.02 -0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 52.38 3pbg s LEU 274 Cb -0.09 -1.59 0.09 0.00 0.03 0.00 0.00 46.19 44.64 3pbg s LEU 274 CO 0.00 -0.01 0.92 -0.62 0.23 0.00 0.00 176.35 176.88 3pbg s ASP 275 N 1.35 6.26 -0.24 2.29 2.15 -1.26 -5.02 116.67 122.20 3pbg s ASP 275 Ca 0.05 -1.32 0.02 0.00 0.43 0.00 0.00 52.55 51.73 3pbg s ASP 275 Cb -0.14 -2.38 0.05 0.00 -0.30 0.00 0.00 42.92 40.15 3pbg s ASP 275 CO -0.09 -1.28 -0.12 -0.76 -0.17 0.00 0.00 175.17 172.76 3pbg s LEU 276 N 3.40 3.11 0.29 -1.34 1.43 -1.26 -5.04 118.68 119.27 3pbg s LEU 276 Ca 0.21 -1.15 -0.13 0.00 -1.03 0.00 0.00 54.13 52.03 3pbg s LEU 276 Cb -0.17 -1.55 -0.08 0.00 0.03 0.00 0.00 46.19 44.42 3pbg s LEU 276 CO 0.05 -0.14 0.67 -0.13 0.23 0.00 0.00 176.35 177.04 3pbg s ARG 277 N 1.18 3.93 0.13 1.70 3.00 -1.26 -4.99 118.95 122.64 3pbg s ARG 277 Ca -0.04 0.53 -0.19 0.00 0.00 0.00 0.00 55.73 56.03 3pbg s ARG 277 Cb -0.18 -2.50 -0.02 0.00 0.00 0.00 0.00 34.95 32.25 3pbg s ARG 277 CO -0.07 0.21 1.75 -0.44 0.00 0.00 0.00 175.30 176.75 3pbg h ASP 278 N 2.33 0.11 -0.77 0.23 3.32 -2.01 -1.69 116.42 117.95 3pbg h ASP 278 Ca -0.47 0.02 0.18 0.00 0.02 0.00 0.00 57.03 56.78 3pbg h ASP 278 Cb 1.17 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.68 3pbg h ASP 278 CO 0.67 0.10 0.52 1.05 -1.72 0.00 0.00 179.24 179.86 3pbg h GLU 279 N 0.21 0.26 -0.90 3.56 9.09 -2.00 0.17 114.58 124.97 3pbg h GLU 279 Ca 0.11 -0.02 0.02 0.00 0.05 0.00 0.00 59.36 59.52 3pbg h GLU 279 Cb 0.07 -0.06 -0.05 0.00 -1.65 0.00 0.00 28.75 27.06 3pbg h GLU 279 CO -0.10 0.17 0.60 -0.44 0.05 0.00 0.00 179.01 179.28 3pbg h ASP 280 N 0.27 1.02 1.43 3.06 3.32 -1.70 -2.49 116.42 121.32 3pbg h ASP 280 Ca 0.38 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.33 3pbg h ASP 280 Cb 1.09 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3pbg h ASP 280 CO -0.09 0.73 -0.37 -0.26 -1.72 0.00 0.00 179.24 177.52 3pbg h PHE 281 N 1.19 0.00 -0.22 4.55 -1.00 -0.63 -2.61 116.94 118.23 3pbg h PHE 281 Ca 0.34 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.97 3pbg h PHE 281 Cb -0.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.47 3pbg h PHE 281 CO -0.00 0.37 -0.45 1.96 -1.61 0.00 0.00 178.31 178.58 3pbg h GLN 282 N 0.00 0.69 -0.71 1.51 4.20 -1.16 -0.52 115.11 119.12 3pbg h GLN 282 Ca -0.00 -0.45 -0.02 0.00 0.06 0.00 0.00 58.65 58.23 3pbg h GLN 282 Cb 1.19 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 29.00 3pbg h GLN 282 CO 0.05 1.07 0.35 0.00 -0.67 0.00 0.00 178.83 179.63 3pbg h ALA 283 N 0.62 0.92 -0.41 3.87 0.00 -1.48 -1.29 119.26 121.49 3pbg h ALA 283 Ca 0.01 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3pbg h ALA 283 Cb 1.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3pbg h ALA 283 CO 0.10 0.48 -0.09 -0.07 0.00 0.00 0.00 179.25 179.66 3pbg h LEU 284 N 0.99 0.79 -1.08 0.00 3.38 -1.42 -3.17 115.31 114.81 3pbg h LEU 284 Ca 0.25 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3pbg h LEU 284 Cb 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3pbg h LEU 284 CO -0.03 0.97 -0.09 -0.78 0.09 0.00 0.00 178.44 178.59 3pbg h ASP 285 N 0.60 0.52 -0.48 -0.43 1.82 -0.64 -2.90 116.42 114.92 3pbg h ASP 285 Ca 0.10 -0.13 -0.13 0.00 -0.39 0.00 0.00 57.03 56.49 3pbg h ASP 285 Cb 0.62 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.48 3pbg h ASP 285 CO 0.04 0.65 -0.20 0.00 -1.61 0.00 0.00 179.24 178.12 3pbg h ALA 286 N 1.40 0.72 -0.00 -0.78 0.00 -1.26 -3.24 119.26 116.10 3pbg h ALA 286 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3pbg h ALA 286 Cb 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3pbg h ALA 286 CO 0.03 0.67 -0.13 0.00 0.00 0.00 0.00 179.25 179.82 3pbg n ALA 287 N -2.51 2.80 -0.35 0.00 0.00 -1.15 -4.38 120.51 114.91 3pbg n ALA 287 Ca 0.00 -0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.25 3pbg n ALA 287 Cb 0.45 -1.30 0.28 0.00 0.00 0.00 0.00 19.45 18.88 3pbg n ALA 287 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3pbg h LYS 288 N 0.73 0.86 -0.53 0.00 2.10 -1.54 -0.94 116.57 117.25 3pbg h LYS 288 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3pbg h LYS 288 Cb 0.38 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 3pbg h LYS 288 CO 0.00 0.57 0.00 -0.25 -2.00 0.00 0.00 179.45 177.77 3pbg n ASP 289 N -4.67 3.67 0.06 7.07 8.00 -1.26 -4.33 116.55 125.08 3pbg n ASP 289 Ca 0.21 -1.99 0.12 0.00 0.71 0.00 0.00 54.79 53.84 3pbg n ASP 289 Cb 0.45 -0.35 0.24 0.00 -0.02 0.00 0.00 41.12 41.45 3pbg n ASP 289 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3pbg n LEU 290 N 1.55 0.66 -4.68 0.64 4.77 -0.36 -4.84 117.00 114.74 3pbg n LEU 290 Ca 0.21 0.28 -0.42 0.00 -0.03 0.00 0.00 56.01 56.05 3pbg n LEU 290 Cb 0.61 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 3pbg n LEU 290 CO 0.16 -0.05 1.07 0.20 -1.33 0.00 0.00 177.39 177.43 3pbg s ASN 291 N -4.07 6.93 0.01 -1.43 0.01 -1.25 -4.88 114.94 110.26 3pbg s ASN 291 Ca 0.08 1.94 -0.18 0.00 -0.71 0.00 0.00 52.86 53.99 3pbg s ASN 291 Cb 0.14 -2.55 -0.28 0.00 0.41 0.00 0.00 41.25 38.97 3pbg s ASN 291 CO 0.69 -0.69 1.05 0.44 -1.51 0.00 0.00 177.10 177.08 3pbg h ASP 292 N 7.84 0.65 -5.28 -1.22 3.32 -1.40 -3.46 116.42 116.87 3pbg h ASP 292 Ca -0.35 -0.83 -0.24 0.00 0.02 0.00 0.00 57.03 55.63 3pbg h ASP 292 Cb 1.16 -0.21 -0.15 0.00 0.22 0.00 0.00 39.33 40.36 3pbg h ASP 292 CO 0.91 1.42 -0.63 0.72 -1.72 0.00 0.00 179.24 179.93 3pbg s PHE 293 N -2.93 1.11 -0.12 4.55 -0.12 -1.26 -3.80 117.98 115.41 3pbg s PHE 293 Ca -0.12 -1.27 -0.00 0.00 -0.05 0.00 0.00 56.93 55.49 3pbg s PHE 293 Cb 0.04 -0.59 0.02 0.00 -0.63 0.00 0.00 43.02 41.86 3pbg s PHE 293 CO 0.87 -0.52 -0.08 -1.17 -0.05 0.00 0.00 175.22 174.27 3pbg s LEU 294 N -3.14 1.21 -0.32 -1.99 1.98 0.54 -3.62 118.68 113.34 3pbg s LEU 294 Ca 0.32 -0.32 -0.17 0.00 -2.89 0.00 0.00 54.13 51.07 3pbg s LEU 294 Cb 0.07 -0.86 -0.01 0.00 0.66 0.00 0.00 46.19 46.05 3pbg s LEU 294 CO 0.08 -0.12 0.48 -0.83 -1.89 0.00 0.00 176.35 174.07 3pbg s GLY 295 N 1.70 1.84 -0.23 7.98 0.00 -0.08 -1.10 107.32 117.43 3pbg s GLY 295 Ca 0.05 -0.91 -0.12 0.00 0.00 0.00 0.00 44.72 43.74 3pbg s GLY 295 CO -0.08 1.19 0.23 -0.42 0.00 0.00 0.00 173.10 174.02 3pbg s ILE 296 N 2.29 5.31 -0.16 0.90 1.01 -0.35 -0.63 121.20 129.56 3pbg s ILE 296 Ca 0.18 0.33 -0.08 0.00 0.00 0.00 0.00 60.65 61.09 3pbg s ILE 296 Cb -0.16 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 3pbg s ILE 296 CO 0.12 0.31 0.10 0.20 0.00 0.00 0.00 174.94 175.67 3pbg s ASN 297 N 1.10 6.02 -0.19 3.58 -0.87 -0.05 -1.90 114.94 122.63 3pbg s ASN 297 Ca 0.11 0.25 -0.11 0.00 -1.57 0.00 0.00 52.86 51.54 3pbg s ASN 297 Cb -0.14 -1.99 0.06 0.00 -0.02 0.00 0.00 41.25 39.16 3pbg s ASN 297 CO 0.06 0.26 0.46 -0.47 -2.57 0.00 0.00 177.10 174.84 3pbg s TYR 298 N -0.16 -0.68 0.00 2.20 6.14 -0.68 -2.19 117.35 121.99 3pbg s TYR 298 Ca 0.09 1.43 0.00 0.00 0.64 0.00 0.00 57.07 59.24 3pbg s TYR 298 Cb -0.12 0.33 0.00 0.00 0.42 0.00 0.00 41.96 42.59 3pbg s TYR 298 CO 0.01 -0.37 0.00 0.66 0.64 0.00 0.00 175.55 176.49 3pbg n TYR 299 N 4.18 0.00 -4.12 4.97 4.02 -1.26 -4.26 117.16 120.68 3pbg n TYR 299 Ca -0.22 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.52 3pbg n TYR 299 Cb 0.56 0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 39.85 3pbg n TYR 299 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3pbg s MET 300 N -1.47 1.80 0.26 -0.72 0.23 -1.26 -4.71 119.30 113.42 3pbg s MET 300 Ca 0.00 -1.75 0.05 0.00 -1.03 0.00 0.00 55.69 52.96 3pbg s MET 300 Cb 0.00 0.41 -0.06 0.00 -1.53 0.00 0.00 34.83 33.66 3pbg s MET 300 CO 0.00 -0.73 -0.04 -1.12 -2.03 0.00 0.00 175.02 171.10 3pbg s SER 301 N -3.24 2.42 0.01 -1.18 0.01 -1.26 -3.67 113.70 106.80 3pbg s SER 301 Ca 0.32 -1.19 0.01 0.00 1.31 0.00 0.00 55.95 56.40 3pbg s SER 301 Cb 0.01 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 3pbg s SER 301 CO 0.20 -0.40 -0.04 -1.81 0.41 0.00 0.00 173.24 171.60 3pbg s ASP 302 N -3.39 0.45 -0.17 2.44 1.01 0.24 -4.64 116.67 112.61 3pbg s ASP 302 Ca 0.29 -0.25 -0.04 0.00 0.71 0.00 0.00 52.55 53.26 3pbg s ASP 302 Cb 0.04 0.00 -0.02 0.00 1.01 0.00 0.00 42.92 43.95 3pbg s ASP 302 CO 0.10 -0.08 -0.04 0.26 0.21 0.00 0.00 175.17 175.62 3pbg s TRP 303 N -0.64 3.01 -0.02 4.23 0.51 -1.25 0.11 118.94 124.90 3pbg s TRP 303 Ca -0.05 -0.39 0.00 0.00 -2.12 0.00 0.00 56.10 53.55 3pbg s TRP 303 Cb -0.05 -1.98 -0.04 0.00 -0.81 0.00 0.00 33.47 30.59 3pbg s TRP 303 CO -0.00 -0.11 0.03 -1.64 -0.51 0.00 0.00 176.95 174.71 3pbg s MET 304 N 0.54 2.91 0.00 4.98 -1.94 0.82 -1.94 119.30 124.68 3pbg s MET 304 Ca -0.03 -0.53 0.03 0.00 -1.71 0.00 0.00 55.69 53.44 3pbg s MET 304 Cb -0.14 -2.76 -0.01 0.00 2.01 0.00 0.00 34.83 33.93 3pbg s MET 304 CO 0.03 0.65 -0.09 -1.14 -0.01 0.00 0.00 175.02 174.45 3pbg s GLN 305 N -1.51 0.72 0.71 2.03 0.74 0.65 0.12 119.66 123.12 3pbg s GLN 305 Ca 0.20 -0.42 -0.16 0.00 0.05 0.00 0.00 55.36 55.03 3pbg s GLN 305 Cb -0.12 -0.68 0.03 0.00 1.10 0.00 0.00 33.01 33.34 3pbg s GLN 305 CO 0.10 0.18 1.24 0.00 -0.55 0.00 0.00 175.29 176.27 3pbg s ALA 306 N -0.41 2.16 -0.29 1.58 0.00 -1.26 0.26 121.76 123.81 3pbg s ALA 306 Ca 0.02 1.02 -0.17 0.00 0.00 0.00 0.00 51.96 52.83 3pbg s ALA 306 Cb -0.05 -3.51 0.13 0.00 0.00 0.00 0.00 23.12 19.69 3pbg s ALA 306 CO -0.00 -1.86 0.91 0.12 0.00 0.00 0.00 175.76 174.93 3pbg s PHE 307 N -1.77 -0.69 -0.32 0.00 5.36 -1.26 -4.60 117.98 114.70 3pbg s PHE 307 Ca 0.78 1.40 0.03 0.00 -0.96 0.00 0.00 56.93 58.18 3pbg s PHE 307 Cb -0.33 0.42 0.10 0.00 -0.34 0.00 0.00 43.02 42.86 3pbg s PHE 307 CO 0.44 -0.34 0.04 0.34 -1.46 0.00 0.00 175.22 174.24 3pbg s ASP 308 N 1.29 4.57 0.07 6.13 2.15 -1.26 -4.20 116.67 125.41 3pbg s ASP 308 Ca -0.08 -1.97 -0.27 0.00 0.43 0.00 0.00 52.55 50.66 3pbg s ASP 308 Cb -0.04 -1.46 0.09 0.00 -0.30 0.00 0.00 42.92 41.21 3pbg s ASP 308 CO -0.15 -0.37 1.15 -0.83 -0.17 0.00 0.00 175.17 174.80 3pbg s GLY 309 N 1.07 -0.26 0.45 2.66 0.00 -1.26 -5.11 107.32 104.87 3pbg s GLY 309 Ca 0.09 0.31 -0.24 0.00 0.00 0.00 0.00 44.72 44.88 3pbg s GLY 309 CO -0.11 0.88 1.20 -0.54 0.00 0.00 0.00 173.10 174.53 3pbg s GLU 310 N -2.64 3.79 0.28 2.90 0.41 -1.26 -4.16 118.70 118.02 3pbg s GLU 310 Ca 0.16 1.87 -0.29 0.00 -0.41 0.00 0.00 54.97 56.29 3pbg s GLU 310 Cb 0.01 -2.49 -0.10 0.00 -1.78 0.00 0.00 34.13 29.78 3pbg s GLU 310 CO -0.00 -0.55 1.16 -0.08 -0.49 0.00 0.00 175.26 175.29 3pbg s THR 311 N -1.47 3.33 -0.24 3.63 -1.32 -1.26 -4.76 115.64 113.55 3pbg s THR 311 Ca 0.62 1.31 -0.15 0.00 -1.21 0.00 0.00 61.69 62.26 3pbg s THR 311 Cb -0.31 -3.83 0.07 0.00 -1.51 0.00 0.00 72.50 66.92 3pbg s THR 311 CO 0.38 0.30 0.61 -0.70 -2.21 0.00 0.00 174.62 173.00 3pbg s GLU 312 N -1.35 0.63 -0.06 7.08 2.12 -0.69 -4.97 118.70 121.47 3pbg s GLU 312 Ca 0.47 1.06 0.01 0.00 0.36 0.00 0.00 54.97 56.86 3pbg s GLU 312 Cb -0.34 0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.21 3pbg s GLU 312 CO 0.43 -0.14 -0.06 0.42 -0.54 0.00 0.00 175.26 175.37 3pbg s ILE 313 N 1.36 0.67 -0.06 -3.70 1.01 -1.26 -0.96 121.20 118.26 3pbg s ILE 313 Ca -0.08 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.42 3pbg s ILE 313 Cb -0.06 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.74 3pbg s ILE 313 CO -0.15 0.26 -0.15 -0.63 0.00 0.00 0.00 174.94 174.28 3pbg s ILE 314 N 1.02 1.29 -0.22 2.92 1.01 0.18 -4.97 121.20 122.44 3pbg s ILE 314 Ca -0.09 -0.60 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 3pbg s ILE 314 Cb -0.14 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 3pbg s ILE 314 CO -0.00 0.38 0.11 -2.28 0.00 0.00 0.00 174.94 173.15 3pbg s HIS 315 N 0.34 3.28 -0.77 3.97 5.65 -1.26 -2.01 115.29 124.49 3pbg s HIS 315 Ca -0.10 0.12 -0.23 0.00 0.25 0.00 0.00 55.06 55.11 3pbg s HIS 315 Cb -0.14 -2.19 0.07 0.00 -1.18 0.00 0.00 32.58 29.15 3pbg s HIS 315 CO 0.03 0.09 1.14 1.21 -0.65 0.00 0.00 174.74 176.55 3pbg s ASN 316 N 0.78 6.28 -0.17 9.88 2.47 -1.26 -4.78 114.94 128.13 3pbg s ASN 316 Ca 0.06 -1.06 0.14 0.00 0.42 0.00 0.00 52.86 52.42 3pbg s ASN 316 Cb -0.13 -2.47 -0.24 0.00 -1.45 0.00 0.00 41.25 36.96 3pbg s ASN 316 CO 0.02 -1.50 0.18 0.61 -3.72 0.00 0.00 177.10 172.69 3pbg n GLY 317 N 5.57 -0.91 0.04 1.21 0.00 -1.26 -4.30 105.19 105.54 3pbg n GLY 317 Ca 0.07 -0.25 0.15 0.00 0.00 0.00 0.00 46.02 45.99 3pbg n GLY 317 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3pbg n LYS 318 N -2.90 0.70 -2.57 1.61 4.76 -1.26 -4.48 118.16 114.02 3pbg n LYS 318 Ca -0.31 -0.08 -0.06 0.00 -2.87 0.00 0.00 58.31 54.99 3pbg n LYS 318 Cb 1.11 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.82 3pbg n LYS 318 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3pbg n GLY 319 N 1.19 0.42 3.39 0.72 0.00 -1.26 -4.97 105.19 104.68 3pbg n GLY 319 Ca 0.18 -0.50 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 3pbg n GLY 319 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pbg s GLU 320 N -5.00 3.10 0.09 1.61 2.02 -1.17 -4.58 118.70 114.77 3pbg s GLU 320 Ca 0.11 -1.27 -0.36 0.00 0.02 0.00 0.00 54.97 53.47 3pbg s GLU 320 Cb -0.05 -4.29 -0.18 0.00 0.10 0.00 0.00 34.13 29.71 3pbg s GLU 320 CO 0.13 -1.61 1.00 1.17 0.02 0.00 0.00 175.26 175.97 3pbg n LYS 321 N 6.57 0.35 0.00 1.61 4.81 -0.90 -1.71 118.16 128.90 3pbg n LYS 321 Ca -0.06 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 3pbg n LYS 321 Cb 0.43 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 33.95 3pbg n LYS 321 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3pbg n GLY 322 N 1.81 2.07 0.00 3.14 0.00 -1.26 -4.92 105.19 106.03 3pbg n GLY 322 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3pbg n GLY 322 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3pbg n SER 323 N 0.00 0.00 -4.80 1.61 3.41 -0.69 -4.85 113.62 108.30 3pbg n SER 323 Ca 0.00 -0.29 -0.35 0.00 -0.26 0.00 0.00 58.87 57.97 3pbg n SER 323 Cb 0.00 -0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 63.72 3pbg n SER 323 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3pbg s SER 324 N -2.35 6.84 -0.13 4.04 0.01 -1.26 -4.59 113.70 116.26 3pbg s SER 324 Ca 0.26 1.85 -0.09 0.00 1.31 0.00 0.00 55.95 59.28 3pbg s SER 324 Cb 0.15 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.86 3pbg s SER 324 CO 0.31 -0.43 0.32 -0.75 0.41 0.00 0.00 173.24 173.09 3pbg s LYS 325 N -2.83 0.33 -0.26 12.44 2.20 -0.85 -4.96 119.74 125.81 3pbg s LYS 325 Ca 0.60 0.53 -0.03 0.00 -0.36 0.00 0.00 55.97 56.71 3pbg s LYS 325 Cb -0.15 0.06 0.14 0.00 -1.51 0.00 0.00 37.83 36.37 3pbg s LYS 325 CO 0.20 -0.10 0.45 -0.47 -0.36 0.00 0.00 175.35 175.07 3pbg s TYR 326 N 0.70 -1.06 -0.04 4.03 6.14 -1.25 0.48 117.35 126.35 3pbg s TYR 326 Ca -0.04 1.21 -0.04 0.00 0.64 0.00 0.00 57.07 58.83 3pbg s TYR 326 Cb -0.06 0.23 0.01 0.00 0.42 0.00 0.00 41.96 42.56 3pbg s TYR 326 CO -0.05 -0.74 0.12 1.14 0.64 0.00 0.00 175.55 176.67 3pbg s GLN 327 N 2.65 0.17 -0.05 4.97 -2.07 -0.14 -1.72 119.66 123.48 3pbg s GLN 327 Ca 0.13 0.12 0.00 0.00 -1.82 0.00 0.00 55.36 53.79 3pbg s GLN 327 Cb -0.15 0.08 0.02 0.00 -1.09 0.00 0.00 33.01 31.88 3pbg s GLN 327 CO -0.17 -0.02 -0.02 0.42 -1.32 0.00 0.00 175.29 174.17 3pbg s ILE 328 N -0.05 0.44 0.14 3.63 1.01 -0.42 -1.70 121.20 124.24 3pbg s ILE 328 Ca -0.01 -0.01 -0.32 0.00 0.00 0.00 0.00 60.65 60.30 3pbg s ILE 328 Cb -0.01 -0.52 -0.12 0.00 0.01 0.00 0.00 42.46 41.82 3pbg s ILE 328 CO 0.00 0.23 1.75 1.17 0.00 0.00 0.00 174.94 178.09 3pbg n LYS 329 N 4.45 2.58 0.00 2.79 4.81 -1.26 -0.50 118.16 131.03 3pbg n LYS 329 Ca -0.19 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 3pbg n LYS 329 Cb 0.50 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 32.77 3pbg n LYS 329 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3pbg n GLY 330 N 3.98 2.66 0.16 3.14 0.00 -1.26 -4.75 105.19 109.11 3pbg n GLY 330 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 3pbg n GLY 330 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3pbg n VAL 331 N -2.00 0.36 -0.47 1.61 0.31 0.34 -4.91 118.33 113.57 3pbg n VAL 331 Ca 0.00 0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 3pbg n VAL 331 Cb 0.00 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 3pbg n VAL 331 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3pbg n GLY 332 N 1.76 -1.86 3.29 2.92 0.00 -0.68 -4.42 105.19 106.21 3pbg n GLY 332 Ca -0.03 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.36 3pbg n GLY 332 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3pbg s ARG 333 N -1.81 1.18 -0.11 1.61 1.70 0.14 -1.30 118.95 120.36 3pbg s ARG 333 Ca 0.00 -1.47 -0.19 0.00 -0.47 0.00 0.00 55.73 53.61 3pbg s ARG 333 Cb 0.00 -0.94 -0.04 0.00 -0.57 0.00 0.00 34.95 33.40 3pbg s ARG 333 CO 0.00 0.15 0.50 1.03 -1.08 0.00 0.00 175.30 175.90 3pbg s ARG 334 N -3.43 4.34 -0.19 3.89 0.52 -0.70 -0.25 118.95 123.13 3pbg s ARG 334 Ca 0.18 0.50 0.00 0.00 -0.52 0.00 0.00 55.73 55.88 3pbg s ARG 334 Cb -0.01 -3.43 0.05 0.00 0.52 0.00 0.00 34.95 32.08 3pbg s ARG 334 CO 0.04 0.16 -0.07 0.08 0.02 0.00 0.00 175.30 175.53 3pbg s VAL 335 N 0.59 1.39 0.06 3.52 1.01 -0.82 -4.77 120.40 121.37 3pbg s VAL 335 Ca 0.27 -0.89 -0.31 0.00 0.00 0.00 0.00 61.98 61.06 3pbg s VAL 335 Cb -0.15 -1.55 -0.07 0.00 0.00 0.00 0.00 36.38 34.61 3pbg s VAL 335 CO 0.11 0.10 1.50 0.00 0.00 0.00 0.00 175.10 176.80 3pbg s ALA 336 N 1.50 3.63 0.65 5.51 0.00 -1.26 -4.41 121.76 127.37 3pbg s ALA 336 Ca -0.01 1.07 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 3pbg s ALA 336 Cb -0.16 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 3pbg s ALA 336 CO -0.08 -0.91 1.17 -2.30 0.00 0.00 0.00 175.76 173.64 3pbg n PRO 337 N 5.09 0.98 0.00 0.00 -0.02 -1.26 -4.94 135.00 134.85 3pbg n PRO 337 Ca 0.14 0.39 -0.01 0.00 -2.02 0.00 0.00 63.50 62.00 3pbg n PRO 337 Cb 0.42 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 3pbg n PRO 337 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3pbg h ASP 338 N 0.41 -0.10 -0.99 2.55 3.32 -2.03 -3.32 116.42 116.26 3pbg h ASP 338 Ca -0.50 0.01 -0.52 0.00 0.02 0.00 0.00 57.03 56.04 3pbg h ASP 338 Cb 1.35 0.04 -0.31 0.00 0.22 0.00 0.00 39.33 40.63 3pbg h ASP 338 CO 0.52 -0.03 0.66 -1.22 -1.72 0.00 0.00 179.24 177.44 3pbg n TYR 339 N -2.68 3.05 -3.47 4.55 4.01 -1.26 -4.94 117.16 116.42 3pbg n TYR 339 Ca -0.00 -1.87 -0.38 0.00 -0.16 0.00 0.00 57.90 55.49 3pbg n TYR 339 Cb 0.02 -0.96 -0.06 0.00 -0.31 0.00 0.00 39.34 38.04 3pbg n TYR 339 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3pbg s VAL 340 N -3.30 5.12 0.56 -0.72 -7.23 -1.25 -5.05 120.40 108.53 3pbg s VAL 340 Ca 0.57 0.80 -0.20 0.00 -1.81 0.00 0.00 61.98 61.33 3pbg s VAL 340 Cb 0.48 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 33.66 3pbg s VAL 340 CO 0.11 0.49 1.26 -2.84 -0.31 0.00 0.00 175.10 173.81 3pbg s PRO 341 N -0.43 3.11 -0.13 4.82 0.02 -1.26 -4.89 135.00 136.24 3pbg s PRO 341 Ca 0.23 1.99 -0.22 0.00 0.02 0.00 0.00 61.00 63.02 3pbg s PRO 341 Cb -0.16 -2.11 0.05 0.00 0.02 0.00 0.00 34.50 32.30 3pbg s PRO 341 CO 0.11 -1.14 0.55 -0.98 -0.33 0.00 0.00 177.00 175.21 3pbg s ARG 342 N -3.08 0.77 1.15 5.54 1.70 -1.26 -1.04 118.95 122.73 3pbg s ARG 342 Ca 0.74 0.47 -0.17 0.00 -0.47 0.00 0.00 55.73 56.30 3pbg s ARG 342 Cb -0.34 0.37 0.26 0.00 -0.57 0.00 0.00 34.95 34.66 3pbg s ARG 342 CO 0.39 -0.17 1.09 0.95 -1.08 0.00 0.00 175.30 176.49 3pbg s THR 343 N -0.40 1.73 -0.69 4.99 -4.23 -0.88 -4.85 115.64 111.31 3pbg s THR 343 Ca -0.05 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.61 3pbg s THR 343 Cb -0.03 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.51 3pbg s THR 343 CO 0.04 0.00 1.49 0.47 -0.54 0.00 0.00 174.62 176.08 3pbg n ASP 344 N -4.62 0.32 -1.19 3.99 8.00 -1.26 -0.99 116.55 120.79 3pbg n ASP 344 Ca 0.10 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.32 3pbg n ASP 344 Cb 0.59 -0.66 0.23 0.00 -0.02 0.00 0.00 41.12 41.26 3pbg n ASP 344 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3pbg n TRP 345 N -1.87 0.58 -2.07 1.24 8.01 -1.26 -2.11 117.44 119.96 3pbg n TRP 345 Ca 0.01 -0.30 -0.06 0.00 -1.31 0.00 0.00 57.50 55.85 3pbg n TRP 345 Cb 0.13 -0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.43 3pbg n TRP 345 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3pbg n ASP 346 N 1.52 -2.52 -4.49 -0.99 8.00 -0.16 -4.80 116.55 113.12 3pbg n ASP 346 Ca 0.20 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.27 3pbg n ASP 346 Cb 0.61 -1.80 -0.07 0.00 -0.02 0.00 0.00 41.12 39.84 3pbg n ASP 346 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3pbg s TRP 347 N -2.30 3.07 0.18 1.24 0.52 -1.26 -4.83 118.94 115.57 3pbg s TRP 347 Ca 0.00 -0.28 -0.32 0.00 0.02 0.00 0.00 56.10 55.53 3pbg s TRP 347 Cb 0.00 -3.33 -0.11 0.00 -1.15 0.00 0.00 33.47 28.88 3pbg s TRP 347 CO 0.00 -0.90 1.61 0.42 0.02 0.00 0.00 176.95 178.10 3pbg s ILE 348 N 2.65 2.44 -0.50 2.03 1.01 -1.26 -2.08 121.20 125.50 3pbg s ILE 348 Ca 0.18 0.32 -0.20 0.00 0.00 0.00 0.00 60.65 60.95 3pbg s ILE 348 Cb -0.16 -3.21 0.05 0.00 0.01 0.00 0.00 42.46 39.15 3pbg s ILE 348 CO 0.16 0.03 0.68 -0.63 0.00 0.00 0.00 174.94 175.17 3pbg s ILE 349 N 1.07 4.78 -0.38 2.92 1.01 -0.21 -4.02 121.20 126.39 3pbg s ILE 349 Ca 0.71 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 61.17 3pbg s ILE 349 Cb -0.45 -4.31 0.15 0.00 0.01 0.00 0.00 42.46 37.86 3pbg s ILE 349 CO 0.32 -0.80 0.34 -0.47 0.00 0.00 0.00 174.94 174.33 3pbg s TYR 350 N 2.89 0.09 0.25 3.97 5.04 -1.26 -4.53 117.35 123.80 3pbg s TYR 350 Ca 0.19 -1.21 -0.04 0.00 -2.44 0.00 0.00 57.07 53.58 3pbg s TYR 350 Cb -0.17 -0.58 0.43 0.00 0.35 0.00 0.00 41.96 42.00 3pbg s TYR 350 CO 0.15 -0.93 1.79 -1.35 -1.34 0.00 0.00 175.55 173.88 3pbg h PRO 351 N 6.81 0.71 0.00 4.97 0.11 -1.92 -2.05 132.00 140.63 3pbg h PRO 351 Ca 0.08 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3pbg h PRO 351 Cb 1.02 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3pbg h PRO 351 CO 0.22 0.47 0.00 -1.91 -0.21 0.00 0.00 178.00 176.57 3pbg n GLU 352 N -4.79 0.13 -0.23 1.05 4.07 -1.26 -1.81 120.64 117.79 3pbg n GLU 352 Ca 0.14 0.59 -0.07 0.00 -0.06 0.00 0.00 57.16 57.76 3pbg n GLU 352 Cb 0.32 -1.89 0.04 0.00 -0.06 0.00 0.00 31.44 29.85 3pbg n GLU 352 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3pbg h GLY 353 N 0.30 1.08 0.97 8.31 0.00 -1.79 -2.21 103.07 109.73 3pbg h GLY 353 Ca 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 3pbg h GLY 353 CO 0.00 0.59 -0.12 -2.00 0.00 0.00 0.00 176.54 175.01 3pbg h LEU 354 N 0.93 -0.28 -0.59 3.11 5.85 -1.54 -1.75 115.31 121.04 3pbg h LEU 354 Ca 0.21 0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.04 3pbg h LEU 354 Cb 0.28 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 3pbg h LEU 354 CO -0.01 -0.19 0.21 0.22 -0.34 0.00 0.00 178.44 178.33 3pbg h TYR 355 N -0.31 0.36 -0.81 1.25 5.03 -1.63 -0.90 116.97 119.96 3pbg h TYR 355 Ca -0.02 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.32 3pbg h TYR 355 Cb 0.25 -0.07 -0.04 0.00 1.55 0.00 0.00 36.73 38.42 3pbg h TYR 355 CO -0.07 0.08 0.53 -0.44 -1.32 0.00 0.00 178.16 176.94 3pbg h ASP 356 N 0.38 0.94 -0.54 -2.11 5.19 -1.03 -1.44 116.42 117.81 3pbg h ASP 356 Ca 0.30 -0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.64 3pbg h ASP 356 Cb 0.37 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 3pbg h ASP 356 CO -0.31 0.68 0.19 1.56 -3.12 0.00 0.00 179.24 178.25 3pbg h GLN 357 N 1.10 0.83 0.73 3.56 1.08 -0.39 -0.91 115.11 121.11 3pbg h GLN 357 Ca 0.30 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.30 3pbg h GLN 357 Cb -0.12 -0.13 0.01 0.00 -0.05 0.00 0.00 27.48 27.19 3pbg h GLN 357 CO -0.06 0.74 -0.35 0.82 -0.95 0.00 0.00 178.83 179.02 3pbg h ILE 358 N 0.74 0.28 -0.08 2.54 2.04 -0.83 -0.52 117.51 121.67 3pbg h ILE 358 Ca 0.18 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 66.04 3pbg h ILE 358 Cb 0.24 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3pbg h ILE 358 CO -0.01 0.00 0.06 0.24 0.00 0.00 0.00 178.15 178.45 3pbg h MET 359 N -1.00 0.00 0.10 2.37 2.86 -1.22 0.11 114.93 118.15 3pbg h MET 359 Ca -0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3pbg h MET 359 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 3pbg h MET 359 CO 0.16 0.00 -0.05 -0.09 1.06 0.00 0.00 176.91 178.00 3pbg h ARG 360 N 0.00 -0.13 0.26 1.72 1.12 -0.76 -0.27 114.38 116.32 3pbg h ARG 360 Ca 0.04 0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.92 3pbg h ARG 360 Cb 0.17 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.15 3pbg h ARG 360 CO -0.00 0.23 -0.21 0.28 -3.11 0.00 0.00 179.97 177.16 3pbg h VAL 361 N -0.51 0.56 -0.99 0.20 2.07 -0.43 0.19 116.25 117.33 3pbg h VAL 361 Ca -0.01 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.73 3pbg h VAL 361 Cb 0.42 0.56 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 3pbg h VAL 361 CO 0.02 0.00 0.63 0.50 0.02 0.00 0.00 177.57 178.74 3pbg h LYS 362 N -0.47 0.50 0.00 1.57 3.64 -0.79 0.22 116.57 121.23 3pbg h LYS 362 Ca -0.01 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 3pbg h LYS 362 Cb 0.42 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3pbg h LYS 362 CO -0.02 0.33 -1.17 -0.91 -2.27 0.00 0.00 179.45 175.41 3pbg h ASN 363 N 0.51 0.00 0.25 4.20 2.35 -0.43 -3.35 115.58 119.11 3pbg h ASN 363 Ca 0.56 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.98 3pbg h ASN 363 Cb 1.24 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.55 3pbg h ASN 363 CO -0.30 0.43 -2.02 0.47 -1.65 0.00 0.00 177.43 174.36 3pbg n ASP 364 N -2.90 0.82 -3.51 5.81 9.92 0.60 -4.71 116.55 122.58 3pbg n ASP 364 Ca -0.06 0.21 -0.28 0.00 -0.53 0.00 0.00 54.79 54.14 3pbg n ASP 364 Cb 0.76 0.16 -0.11 0.00 -0.64 0.00 0.00 41.12 41.29 3pbg n ASP 364 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3pbg s TYR 365 N -2.55 1.47 0.40 1.24 2.02 0.64 -4.97 117.35 115.59 3pbg s TYR 365 Ca -0.11 -2.35 0.39 0.00 -0.37 0.00 0.00 57.07 54.63 3pbg s TYR 365 Cb 0.07 -1.28 2.02 0.00 -0.40 0.00 0.00 41.96 42.37 3pbg s TYR 365 CO 0.80 -0.78 2.18 -1.35 -1.57 0.00 0.00 175.55 174.83 3pbg h PRO 366 N 5.99 0.00 -0.85 -1.71 0.11 -1.74 -2.26 132.00 131.54 3pbg h PRO 366 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3pbg h PRO 366 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3pbg h PRO 366 CO 0.41 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.47 3pbg n ASN 367 N -2.92 1.85 0.21 -2.05 6.94 -1.26 -4.05 115.26 113.98 3pbg n ASN 367 Ca -0.02 -2.17 0.05 0.00 -0.02 0.00 0.00 54.58 52.42 3pbg n ASN 367 Cb 0.11 -0.50 0.47 0.00 -2.36 0.00 0.00 39.78 37.50 3pbg n ASN 367 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 3pbg h TYR 368 N 0.81 0.00 0.00 -2.53 -0.00 -1.77 -3.47 116.97 110.02 3pbg h TYR 368 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3pbg h TYR 368 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.48 3pbg h TYR 368 CO 0.21 0.27 0.00 1.63 -0.00 0.00 0.00 178.16 180.27 3pbg n LYS 369 N -4.03 0.00 -3.80 0.10 5.02 -1.26 -4.40 118.16 109.78 3pbg n LYS 369 Ca -0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.15 3pbg n LYS 369 Cb 0.34 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.23 3pbg n LYS 369 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3pbg s LYS 370 N 0.00 0.24 -0.04 1.97 2.20 -1.25 -4.82 119.74 118.04 3pbg s LYS 370 Ca 0.00 0.27 0.05 0.00 -0.36 0.00 0.00 55.97 55.93 3pbg s LYS 370 Cb 0.00 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.41 3pbg s LYS 370 CO 0.00 -0.03 -0.19 0.42 -0.36 0.00 0.00 175.35 175.19 3pbg s ILE 371 N 0.09 2.64 -0.05 5.43 1.01 0.67 -0.34 121.20 130.64 3pbg s ILE 371 Ca -0.00 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.79 3pbg s ILE 371 Cb -0.01 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.47 3pbg s ILE 371 CO 0.00 0.59 -0.10 -0.31 0.00 0.00 0.00 174.94 175.11 3pbg s TYR 372 N -0.64 1.22 -0.70 3.97 2.02 -0.26 -1.03 117.35 121.94 3pbg s TYR 372 Ca 0.10 -0.40 -0.25 0.00 -0.37 0.00 0.00 57.07 56.15 3pbg s TYR 372 Cb -0.11 -0.91 0.05 0.00 -0.40 0.00 0.00 41.96 40.60 3pbg s TYR 372 CO 0.00 -0.21 1.11 0.42 -1.57 0.00 0.00 175.55 175.31 3pbg s ILE 373 N 0.55 4.05 -0.84 2.71 -1.09 -0.08 -1.22 121.20 125.29 3pbg s ILE 373 Ca -0.11 -0.02 0.27 0.00 -2.23 0.00 0.00 60.65 58.56 3pbg s ILE 373 Cb -0.14 -4.80 0.25 0.00 -1.58 0.00 0.00 42.46 36.20 3pbg s ILE 373 CO 0.02 -1.65 1.81 0.35 -1.23 0.00 0.00 174.94 174.24 3pbg n THR 374 N 6.14 0.35 -3.65 2.92 -2.24 -0.80 0.13 114.28 117.13 3pbg n THR 374 Ca -0.00 -0.17 -0.07 0.00 -2.27 0.00 0.00 64.05 61.54 3pbg n THR 374 Cb 0.47 -0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 68.11 3pbg n THR 374 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3pbg s GLU 375 N -3.06 0.67 -0.30 -0.78 2.02 -1.21 -4.67 118.70 111.37 3pbg s GLU 375 Ca 0.12 1.18 -0.16 0.00 0.02 0.00 0.00 54.97 56.13 3pbg s GLU 375 Cb 0.15 0.13 0.17 0.00 0.10 0.00 0.00 34.13 34.68 3pbg s GLU 375 CO 0.58 -0.15 1.07 1.21 0.02 0.00 0.00 175.26 177.99 3pbg s ASN 376 N 1.63 -0.39 -0.02 -0.19 3.84 -1.19 -1.69 114.94 116.95 3pbg s ASN 376 Ca -0.10 0.58 -0.29 0.00 0.21 0.00 0.00 52.86 53.27 3pbg s ASN 376 Cb -0.06 1.29 0.10 0.00 -0.55 0.00 0.00 41.25 42.04 3pbg s ASN 376 CO -0.19 -0.09 1.29 -0.83 -2.79 0.00 0.00 177.10 174.49 3pbg s GLY 377 N 1.69 -0.18 -0.14 1.21 0.00 -1.26 -1.29 107.32 107.34 3pbg s GLY 377 Ca -0.06 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.83 3pbg s GLY 377 CO -0.15 4.51 -0.13 -2.27 0.00 0.00 0.00 173.10 175.06 3pbg s LEU 378 N -3.64 1.62 -0.27 0.66 2.96 -1.26 -4.96 118.68 113.80 3pbg s LEU 378 Ca 0.26 -0.46 -0.14 0.00 -0.22 0.00 0.00 54.13 53.58 3pbg s LEU 378 Cb 0.01 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 3pbg s LEU 378 CO -0.01 -0.06 0.33 -0.83 -1.32 0.00 0.00 176.35 174.46 3pbg s GLY 379 N 1.48 1.91 0.25 7.98 0.00 -1.26 -4.41 107.32 113.27 3pbg s GLY 379 Ca 0.04 -0.86 -0.16 0.00 0.00 0.00 0.00 44.72 43.74 3pbg s GLY 379 CO -0.10 0.88 0.56 -2.52 0.00 0.00 0.00 173.10 171.93 3pbg s TYR 380 N 1.92 0.13 -1.04 1.90 -0.85 -0.52 -4.86 117.35 114.02 3pbg s TYR 380 Ca 0.13 -0.53 -0.21 0.00 -0.52 0.00 0.00 57.07 55.95 3pbg s TYR 380 Cb -0.16 0.38 0.08 0.00 0.38 0.00 0.00 41.96 42.65 3pbg s TYR 380 CO 0.10 -1.07 1.40 0.21 -1.52 0.00 0.00 175.55 174.67 3pbg s LYS 381 N -3.97 3.67 0.56 -3.49 2.47 -1.26 -2.35 119.74 115.37 3pbg s LYS 381 Ca 0.17 -1.48 -0.20 0.00 -1.56 0.00 0.00 55.97 52.90 3pbg s LYS 381 Cb -0.02 -5.25 -0.06 0.00 -1.46 0.00 0.00 37.83 31.04 3pbg s LYS 381 CO 0.07 -2.08 1.11 -0.25 0.16 0.00 0.00 175.35 174.36 3pbg n ASP 382 N 8.04 1.50 -4.27 1.43 9.92 -1.26 -4.97 116.55 126.94 3pbg n ASP 382 Ca 0.33 0.90 -0.37 0.00 -0.53 0.00 0.00 54.79 55.12 3pbg n ASP 382 Cb 0.49 -1.45 -0.13 0.00 -0.64 0.00 0.00 41.12 39.40 3pbg n ASP 382 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3pbg s GLU 383 N -2.71 2.75 -0.27 -1.24 2.12 -1.26 -5.06 118.70 113.03 3pbg s GLU 383 Ca 0.73 -1.08 -0.29 0.00 0.36 0.00 0.00 54.97 54.69 3pbg s GLU 383 Cb -0.44 -3.33 -0.00 0.00 0.26 0.00 0.00 34.13 30.63 3pbg s GLU 383 CO 0.49 -0.56 1.28 0.12 -0.54 0.00 0.00 175.26 176.05 3pbg s PHE 384 N 1.39 2.75 -0.09 5.30 5.36 -1.26 -4.47 117.98 126.96 3pbg s PHE 384 Ca -0.01 0.92 -0.07 0.00 -0.96 0.00 0.00 56.93 56.81 3pbg s PHE 384 Cb -0.19 -3.80 0.02 0.00 -0.34 0.00 0.00 43.02 38.71 3pbg s PHE 384 CO 0.01 -1.65 0.22 0.14 -1.46 0.00 0.00 175.22 172.48 3pbg s VAL 385 N 4.15 -0.01 -1.81 3.12 -7.23 -0.66 -4.89 120.40 113.07 3pbg s VAL 385 Ca 0.55 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.74 3pbg s VAL 385 Cb -0.17 -0.32 0.00 0.00 0.56 0.00 0.00 36.38 36.44 3pbg s VAL 385 CO 0.21 0.01 0.00 0.47 -0.31 0.00 0.00 175.10 175.47 3pbg n ASP 386 N 3.12 -5.91 -2.76 4.85 8.00 -1.26 -1.55 116.55 121.04 3pbg n ASP 386 Ca -0.14 0.01 -0.19 0.00 0.71 0.00 0.00 54.79 55.17 3pbg n ASP 386 Cb 0.58 -4.93 0.04 0.00 -0.02 0.00 0.00 41.12 36.79 3pbg n ASP 386 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3pbg n ASN 387 N -1.96 -5.53 -0.70 -2.24 4.13 -1.26 -4.96 115.26 102.74 3pbg n ASN 387 Ca -0.25 -0.32 0.00 0.00 1.68 0.00 0.00 54.58 55.70 3pbg n ASN 387 Cb 0.69 -4.29 0.00 0.00 -1.54 0.00 0.00 39.78 34.64 3pbg n ASN 387 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3pbg n THR 388 N -4.43 0.00 -3.70 3.41 -1.04 -0.59 -4.63 114.28 103.31 3pbg n THR 388 Ca -0.06 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.84 3pbg n THR 388 Cb 0.58 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.98 3pbg n THR 388 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3pbg s VAL 389 N -2.81 -0.06 -1.23 12.58 1.01 -1.26 -1.66 120.40 126.97 3pbg s VAL 389 Ca 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 3pbg s VAL 389 Cb 0.00 -0.57 0.19 0.00 0.00 0.00 0.00 36.38 36.00 3pbg s VAL 389 CO 0.00 0.05 2.02 -1.22 0.00 0.00 0.00 175.10 175.94 3pbg n TYR 390 N 4.33 2.67 -0.66 5.22 4.01 -1.26 -1.59 117.16 129.87 3pbg n TYR 390 Ca -0.23 -2.74 -0.11 0.00 -0.16 0.00 0.00 57.90 54.67 3pbg n TYR 390 Cb 0.54 -1.70 -0.09 0.00 -0.31 0.00 0.00 39.34 37.79 3pbg n TYR 390 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3pbg n ASP 391 N 2.09 3.70 0.07 7.72 5.75 -1.26 -4.57 116.55 130.05 3pbg n ASP 391 Ca 0.48 -2.16 0.17 0.00 -0.01 0.00 0.00 54.79 53.27 3pbg n ASP 391 Cb 0.30 -0.94 0.67 0.00 -1.03 0.00 0.00 41.12 40.12 3pbg n ASP 391 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3pbg h ASP 392 N 4.48 0.01 -0.25 -1.12 3.32 -1.98 0.35 116.42 121.23 3pbg h ASP 392 Ca 0.20 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.09 3pbg h ASP 392 Cb 0.81 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 3pbg h ASP 392 CO 0.54 0.01 -0.43 1.23 -1.72 0.00 0.00 179.24 178.87 3pbg h GLY 393 N 0.01 0.88 0.93 2.75 0.00 -2.00 -0.36 103.07 105.28 3pbg h GLY 393 Ca 0.19 -0.92 -0.09 0.00 0.00 0.00 0.00 47.33 46.51 3pbg h GLY 393 CO -0.00 0.83 -0.14 -0.09 0.00 0.00 0.00 176.54 177.14 3pbg h ARG 394 N 0.65 0.65 -1.00 4.80 2.43 -0.83 -1.49 114.38 119.60 3pbg h ARG 394 Ca 0.05 -0.28 0.04 0.00 -0.81 0.00 0.00 59.98 58.98 3pbg h ARG 394 Cb 1.00 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.47 3pbg h ARG 394 CO 0.10 0.86 0.65 0.82 -1.51 0.00 0.00 179.97 180.89 3pbg h ILE 395 N 0.41 1.16 -0.35 1.20 2.04 -0.67 -1.17 117.51 120.13 3pbg h ILE 395 Ca 0.07 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 3pbg h ILE 395 Cb 0.66 -0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3pbg h ILE 395 CO 0.04 0.23 0.11 -0.78 0.00 0.00 0.00 178.15 177.76 3pbg h ASP 396 N 1.25 0.51 0.02 1.72 3.58 -0.71 0.13 116.42 122.91 3pbg h ASP 396 Ca 0.40 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 3pbg h ASP 396 Cb 0.03 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 3pbg h ASP 396 CO -0.13 0.57 -0.01 0.22 -2.88 0.00 0.00 179.24 177.01 3pbg h TYR 397 N 0.41 -0.03 0.08 0.28 5.03 -0.85 -2.22 116.97 119.67 3pbg h TYR 397 Ca 0.11 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.42 3pbg h TYR 397 Cb 0.24 0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.53 3pbg h TYR 397 CO 0.01 -0.02 -0.04 0.28 -1.32 0.00 0.00 178.16 177.07 3pbg h VAL 398 N -0.03 1.00 -0.95 1.81 2.07 -1.13 -2.68 116.25 116.35 3pbg h VAL 398 Ca -0.00 -0.27 0.18 0.00 0.82 0.00 0.00 66.70 67.43 3pbg h VAL 398 Cb 0.02 1.18 -0.11 0.00 -1.52 0.00 0.00 31.29 30.87 3pbg h VAL 398 CO 0.00 0.07 0.54 0.50 0.02 0.00 0.00 177.57 178.70 3pbg h LYS 399 N -0.22 0.67 -0.53 1.57 3.64 -0.61 -1.01 116.57 120.08 3pbg h LYS 399 Ca -0.01 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 3pbg h LYS 399 Cb 0.19 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3pbg h LYS 399 CO 0.02 0.44 -0.15 1.96 -2.27 0.00 0.00 179.45 179.45 3pbg h GLN 400 N 0.69 1.03 -0.11 1.90 4.20 -1.16 -1.70 115.11 119.95 3pbg h GLN 400 Ca 0.55 -0.40 -0.16 0.00 0.06 0.00 0.00 58.65 58.69 3pbg h GLN 400 Cb 0.86 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 3pbg h GLN 400 CO -0.39 1.09 -0.62 0.45 -0.67 0.00 0.00 178.83 178.69 3pbg h HIS 401 N 0.90 0.51 -0.54 2.96 3.86 -0.90 -2.28 115.15 119.67 3pbg h HIS 401 Ca 0.13 -0.20 -0.12 0.00 -1.16 0.00 0.00 60.37 59.03 3pbg h HIS 401 Cb 0.73 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.09 3pbg h HIS 401 CO 0.05 0.91 -0.12 -0.07 0.86 0.00 0.00 177.93 179.57 3pbg h LEU 402 N 0.29 1.04 -1.30 2.43 3.38 -1.20 -1.81 115.31 118.15 3pbg h LEU 402 Ca -0.01 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 3pbg h LEU 402 Cb 1.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3pbg h LEU 402 CO 0.11 1.16 0.16 -0.33 0.09 0.00 0.00 178.44 179.63 3pbg h GLU 403 N 0.92 0.65 0.00 1.13 5.08 -1.24 -1.05 114.58 120.06 3pbg h GLU 403 Ca 0.14 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 3pbg h GLU 403 Cb 0.69 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3pbg h GLU 403 CO 0.05 0.55 -0.58 -0.24 -1.00 0.00 0.00 179.01 177.79 3pbg h VAL 404 N 0.64 1.37 -0.02 3.13 3.04 -0.86 -3.07 116.25 120.49 3pbg h VAL 404 Ca 0.15 -2.02 -0.01 0.00 -1.01 0.00 0.00 66.70 63.82 3pbg h VAL 404 Cb 0.16 2.10 -0.00 0.00 -2.01 0.00 0.00 31.29 31.54 3pbg h VAL 404 CO -0.01 0.57 -0.03 -0.07 -1.01 0.00 0.00 177.57 177.02 3pbg h LEU 405 N 0.00 0.05 -1.14 3.16 3.38 -0.64 -1.81 115.31 118.32 3pbg h LEU 405 Ca -0.01 -0.53 0.33 0.00 0.09 0.00 0.00 57.88 57.76 3pbg h LEU 405 Cb 1.06 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.66 3pbg h LEU 405 CO 0.08 0.58 0.64 -1.28 0.09 0.00 0.00 178.44 178.54 3pbg h SER 406 N -0.47 0.47 -0.03 -0.43 0.87 -1.19 0.39 113.55 113.16 3pbg h SER 406 Ca 0.00 0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.62 3pbg h SER 406 Cb 0.56 0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.64 3pbg h SER 406 CO 0.01 -0.09 -0.38 0.44 -0.53 0.00 0.00 176.83 176.28 3pbg h ASP 407 N 0.31 0.38 -0.74 6.23 3.32 -1.45 -1.77 116.42 122.70 3pbg h ASP 407 Ca 0.72 -0.72 0.11 0.00 0.02 0.00 0.00 57.03 57.16 3pbg h ASP 407 Cb 1.78 -0.11 -0.08 0.00 0.22 0.00 0.00 39.33 41.14 3pbg h ASP 407 CO -0.51 1.05 0.36 0.00 -1.72 0.00 0.00 179.24 178.41 3pbg h ALA 408 N 0.34 1.03 0.61 3.45 0.00 0.47 0.20 119.26 125.37 3pbg h ALA 408 Ca -0.04 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3pbg h ALA 408 Cb 1.08 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.85 3pbg h ALA 408 CO 0.08 -0.07 -0.29 0.82 0.00 0.00 0.00 179.25 179.78 3pbg h ILE 409 N 0.59 0.38 -0.54 0.00 2.04 -0.45 -0.45 117.51 119.07 3pbg h ILE 409 Ca 0.37 -0.08 0.16 0.00 1.00 0.00 0.00 64.86 66.31 3pbg h ILE 409 Cb 0.44 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3pbg h ILE 409 CO -0.30 0.01 0.45 0.00 0.00 0.00 0.00 178.15 178.31 3pbg h ALA 410 N -0.52 2.39 -0.41 1.87 0.00 -0.40 0.15 119.26 122.34 3pbg h ALA 410 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3pbg h ALA 410 Cb 0.65 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3pbg h ALA 410 CO 0.14 -0.73 0.00 -0.25 0.00 0.00 0.00 179.25 178.41 3pbg n ASP 411 N -4.08 2.70 0.00 0.00 9.92 0.63 -4.90 116.55 120.82 3pbg n ASP 411 Ca 0.10 -2.14 0.00 0.00 -0.53 0.00 0.00 54.79 52.23 3pbg n ASP 411 Cb 0.67 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 3pbg n ASP 411 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3pbg n GLY 412 N 0.99 0.96 3.75 0.44 0.00 0.51 -5.03 105.19 106.81 3pbg n GLY 412 Ca 0.15 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3pbg n GLY 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pbg s ALA 413 N -2.00 3.60 -1.31 4.61 0.00 -0.26 -5.00 121.76 121.40 3pbg s ALA 413 Ca 0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 51.96 51.46 3pbg s ALA 413 Cb 0.00 -2.42 0.12 0.00 0.00 0.00 0.00 23.12 20.82 3pbg s ALA 413 CO 0.00 0.17 1.84 -1.71 0.00 0.00 0.00 175.76 176.06 3pbg n ASN 414 N 3.20 4.79 -4.69 0.00 5.15 -1.26 -4.09 115.26 118.36 3pbg n ASN 414 Ca -0.12 -2.98 -0.37 0.00 -0.60 0.00 0.00 54.58 50.51 3pbg n ASN 414 Cb 0.52 -1.59 -0.08 0.00 -0.53 0.00 0.00 39.78 38.10 3pbg n ASN 414 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3pbg s VAL 415 N 2.03 5.26 -0.11 3.44 1.01 -1.26 -0.24 120.40 130.53 3pbg s VAL 415 Ca 0.45 0.59 0.01 0.00 0.00 0.00 0.00 61.98 63.03 3pbg s VAL 415 Cb 0.07 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.79 3pbg s VAL 415 CO -0.01 0.31 0.69 0.29 0.00 0.00 0.00 175.10 176.39 3pbg n LYS 416 N 4.12 0.38 -3.62 2.72 4.76 -0.19 -4.95 118.16 121.39 3pbg n LYS 416 Ca -0.10 -0.88 -0.03 0.00 -2.87 0.00 0.00 58.31 54.43 3pbg n LYS 416 Cb 0.51 -1.02 -0.01 0.00 -1.84 0.00 0.00 35.03 32.67 3pbg n LYS 416 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3pbg s GLY 417 N -0.38 -0.35 -0.09 0.72 0.00 -1.26 -2.38 107.32 103.58 3pbg s GLY 417 Ca 0.01 0.93 -0.06 0.00 0.00 0.00 0.00 44.72 45.61 3pbg s GLY 417 CO 0.01 0.27 0.23 -0.47 0.00 0.00 0.00 173.10 173.14 3pbg s TYR 418 N -2.71 -0.28 -0.22 1.90 5.04 0.15 -0.90 117.35 120.33 3pbg s TYR 418 Ca 0.11 0.68 0.01 0.00 -2.44 0.00 0.00 57.07 55.42 3pbg s TYR 418 Cb 0.01 0.05 0.05 0.00 0.35 0.00 0.00 41.96 42.42 3pbg s TYR 418 CO -0.04 -0.18 -0.09 -0.06 -1.34 0.00 0.00 175.55 173.84 3pbg s PHE 419 N 0.78 2.59 0.28 4.97 0.40 0.36 -1.20 117.98 126.16 3pbg s PHE 419 Ca -0.05 -1.80 -0.29 0.00 -0.60 0.00 0.00 56.93 54.18 3pbg s PHE 419 Cb -0.07 -1.68 -0.09 0.00 0.51 0.00 0.00 43.02 41.69 3pbg s PHE 419 CO -0.05 -0.78 1.04 -1.50 0.70 0.00 0.00 175.22 174.63 3pbg s ILE 420 N 1.33 3.72 -0.29 0.64 2.07 -1.13 -3.15 121.20 124.39 3pbg s ILE 420 Ca -0.04 1.69 -0.09 0.00 -1.41 0.00 0.00 60.65 60.80 3pbg s ILE 420 Cb -0.18 -4.06 -0.02 0.00 0.13 0.00 0.00 42.46 38.34 3pbg s ILE 420 CO -0.07 0.37 0.14 0.86 -1.91 0.00 0.00 174.94 174.33 3pbg s TRP 421 N -1.22 3.16 0.38 3.50 -0.11 -0.42 -0.92 118.94 123.31 3pbg s TRP 421 Ca 0.45 -0.45 0.04 0.00 1.22 0.00 0.00 56.10 57.36 3pbg s TRP 421 Cb -0.29 -2.33 -0.06 0.00 -1.50 0.00 0.00 33.47 29.30 3pbg s TRP 421 CO 0.36 -0.40 0.05 -1.54 -4.62 0.00 0.00 176.95 170.81 3pbg s SER 422 N 1.63 2.99 0.07 5.86 1.04 -1.17 -4.27 113.70 119.85 3pbg s SER 422 Ca 0.05 -1.45 -0.24 0.00 0.48 0.00 0.00 55.95 54.79 3pbg s SER 422 Cb -0.16 -0.00 -0.16 0.00 0.10 0.00 0.00 66.02 65.79 3pbg s SER 422 CO 0.06 -0.65 1.64 0.25 0.98 0.00 0.00 173.24 175.53 3pbg h LEU 423 N 1.90 -0.01 -9.30 2.42 5.85 -1.37 -2.71 115.31 112.08 3pbg h LEU 423 Ca -0.41 -0.10 -0.51 0.00 0.84 0.00 0.00 57.88 57.71 3pbg h LEU 423 Cb 1.26 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.15 3pbg h LEU 423 CO 0.71 0.09 -0.55 0.00 -0.34 0.00 0.00 178.44 178.35 3pbg s MET 424 N -5.80 1.79 0.09 1.25 0.23 -1.26 -1.15 119.30 114.45 3pbg s MET 424 Ca -0.14 -2.05 -0.31 0.00 -1.03 0.00 0.00 55.69 52.16 3pbg s MET 424 Cb 0.05 -0.59 -0.06 0.00 -1.53 0.00 0.00 34.83 32.69 3pbg s MET 424 CO 0.66 -0.39 1.22 -0.51 -2.03 0.00 0.00 175.02 173.97 3pbg s ASP 425 N -3.53 7.05 0.04 -1.18 1.01 -0.78 -4.12 116.67 115.16 3pbg s ASP 425 Ca 0.29 2.10 0.02 0.00 0.71 0.00 0.00 52.55 55.68 3pbg s ASP 425 Cb 0.05 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 3pbg s ASP 425 CO 0.15 -0.47 -0.08 0.68 0.21 0.00 0.00 175.17 175.66 3pbg s VAL 426 N 0.83 0.57 0.69 -1.27 -7.23 -1.26 -4.68 120.40 108.05 3pbg s VAL 426 Ca 0.58 -1.09 -0.16 0.00 -1.81 0.00 0.00 61.98 59.50 3pbg s VAL 426 Cb -0.31 -0.63 0.02 0.00 0.56 0.00 0.00 36.38 36.01 3pbg s VAL 426 CO 0.31 -0.38 1.20 0.72 -0.31 0.00 0.00 175.10 176.64 3pbg s PHE 427 N -1.38 2.19 0.06 2.82 -0.12 -1.26 -4.86 117.98 115.44 3pbg s PHE 427 Ca -0.10 1.57 -0.12 0.00 -0.05 0.00 0.00 56.93 58.23 3pbg s PHE 427 Cb -0.10 -3.45 -0.06 0.00 -0.63 0.00 0.00 43.02 38.78 3pbg s PHE 427 CO 0.00 -2.44 0.42 0.45 -0.05 0.00 0.00 175.22 173.61 3pbg s SER 428 N -1.97 6.73 0.11 1.98 0.15 -0.53 -4.86 113.70 115.31 3pbg s SER 428 Ca 0.75 0.89 -0.29 0.00 0.70 0.00 0.00 55.95 58.00 3pbg s SER 428 Cb -0.29 -2.22 -0.10 0.00 -1.71 0.00 0.00 66.02 61.70 3pbg s SER 428 CO 0.42 0.22 1.48 -0.50 1.20 0.00 0.00 173.24 176.06 3pbg h TRP 429 N 4.04 -1.47 -0.07 3.44 4.06 -1.94 -2.95 115.95 121.05 3pbg h TRP 429 Ca -0.50 0.07 -0.04 0.00 2.06 0.00 0.00 58.89 60.47 3pbg h TRP 429 Cb 1.20 0.68 -0.03 0.00 -1.00 0.00 0.00 29.16 30.01 3pbg h TRP 429 CO 0.68 -0.45 -0.45 -1.13 -3.56 0.00 0.00 178.44 173.53 3pbg n SER 430 N -5.04 1.92 0.00 -3.49 3.41 -1.26 -4.62 113.62 104.54 3pbg n SER 430 Ca -0.04 -3.89 0.00 0.00 -0.26 0.00 0.00 58.87 54.68 3pbg n SER 430 Cb 0.31 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3pbg n SER 430 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3pbg n ASN 431 N -1.11 0.01 -0.45 4.04 4.13 -1.19 -4.66 115.26 116.03 3pbg n ASN 431 Ca 0.22 -1.00 0.05 0.00 1.68 0.00 0.00 54.58 55.52 3pbg n ASN 431 Cb 0.75 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.98 3pbg n ASN 431 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3pbg n GLY 432 N -0.00 -2.04 0.12 7.41 0.00 -1.12 -4.00 105.19 105.56 3pbg n GLY 432 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3pbg n GLY 432 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3pbg n TYR 433 N -1.73 0.00 -0.06 1.61 4.02 -1.26 -1.45 117.16 118.29 3pbg n TYR 433 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.72 3pbg n TYR 433 Cb 0.17 -0.02 -0.13 0.00 -0.02 0.00 0.00 39.34 39.34 3pbg n TYR 433 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 3pbg h GLU 434 N 0.05 0.05 -5.52 -0.72 4.39 -1.94 -3.42 114.58 107.48 3pbg h GLU 434 Ca 0.00 -0.09 -0.25 0.00 0.34 0.00 0.00 59.36 59.36 3pbg h GLU 434 Cb 0.09 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 3pbg h GLU 434 CO 0.00 1.04 0.72 0.21 -1.16 0.00 0.00 179.01 179.82 3pbg s LYS 435 N -2.31 2.28 0.32 2.33 2.20 -1.25 -4.39 119.74 118.93 3pbg s LYS 435 Ca -0.21 -0.57 -0.22 0.00 -0.36 0.00 0.00 55.97 54.60 3pbg s LYS 435 Cb 0.01 -5.10 -0.10 0.00 -1.51 0.00 0.00 37.83 31.13 3pbg s LYS 435 CO 0.68 -3.96 0.87 1.03 -0.36 0.00 0.00 175.35 173.61 3pbg s ARG 436 N 7.15 4.37 0.00 4.03 0.52 -0.99 -4.68 118.95 129.35 3pbg s ARG 436 Ca 0.73 1.10 0.00 0.00 -0.52 0.00 0.00 55.73 57.04 3pbg s ARG 436 Cb -0.05 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.77 3pbg s ARG 436 CO 0.08 0.23 0.00 0.66 0.02 0.00 0.00 175.30 176.29 3pbg n TYR 437 N 0.25 0.00 -1.42 -0.53 4.02 -1.26 -1.45 117.16 116.78 3pbg n TYR 437 Ca 0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.59 3pbg n TYR 437 Cb 0.51 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.92 3pbg n TYR 437 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3pbg s GLY 438 N -0.24 1.99 0.28 2.72 0.00 -1.26 -3.03 107.32 107.78 3pbg s GLY 438 Ca 0.00 0.53 0.15 0.00 0.00 0.00 0.00 44.72 45.40 3pbg s GLY 438 CO 0.00 0.90 1.45 1.41 0.00 0.00 0.00 173.10 176.86 3pbg h LEU 439 N -0.62 0.00 -8.32 0.66 3.38 -0.79 -3.44 115.31 106.19 3pbg h LEU 439 Ca -0.45 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.84 3pbg h LEU 439 Cb 1.25 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.67 3pbg h LEU 439 CO 0.51 0.50 -0.88 -0.36 0.09 0.00 0.00 178.44 178.30 3pbg s PHE 440 N -2.96 2.53 0.04 1.13 0.08 -0.80 -2.26 117.98 115.74 3pbg s PHE 440 Ca 0.04 -1.06 -0.30 0.00 0.12 0.00 0.00 56.93 55.73 3pbg s PHE 440 Cb 0.08 -1.70 -0.04 0.00 -0.57 0.00 0.00 43.02 40.78 3pbg s PHE 440 CO 0.74 -0.43 1.03 -0.47 -0.10 0.00 0.00 175.22 175.99 3pbg s TYR 441 N 0.39 3.64 -0.25 0.36 5.04 0.75 -1.86 117.35 125.41 3pbg s TYR 441 Ca -0.18 1.64 -0.02 0.00 -2.44 0.00 0.00 57.07 56.06 3pbg s TYR 441 Cb -0.18 -3.18 0.02 0.00 0.35 0.00 0.00 41.96 38.98 3pbg s TYR 441 CO 0.08 -0.25 -0.05 0.08 -1.34 0.00 0.00 175.55 174.07 3pbg s VAL 442 N 0.76 2.98 -0.64 3.14 1.01 -1.26 0.09 120.40 126.49 3pbg s VAL 442 Ca 0.52 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 61.27 3pbg s VAL 442 Cb -0.24 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.68 3pbg s VAL 442 CO 0.29 0.21 1.22 -0.62 0.00 0.00 0.00 175.10 176.20 3pbg s ASP 443 N 1.35 6.34 0.52 3.32 -1.08 -0.40 -4.86 116.67 121.86 3pbg s ASP 443 Ca 0.01 -0.10 0.30 0.00 -0.52 0.00 0.00 52.55 52.24 3pbg s ASP 443 Cb -0.16 -2.55 1.65 0.00 -1.46 0.00 0.00 42.92 40.40 3pbg s ASP 443 CO -0.04 -1.61 1.92 -0.26 0.52 0.00 0.00 175.17 175.70 3pbg h PHE 444 N 9.71 0.00 0.00 -5.34 0.04 -1.93 1.15 116.94 120.58 3pbg h PHE 444 Ca -0.26 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.33 3pbg h PHE 444 Cb 1.05 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.18 3pbg h PHE 444 CO 1.07 0.00 -0.97 -0.44 -0.60 0.00 0.00 178.31 177.36 3pbg h ASP 445 N 0.00 0.00 -0.00 2.17 3.32 -1.97 -3.35 116.42 116.59 3pbg h ASP 445 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3pbg h ASP 445 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3pbg h ASP 445 CO 0.00 0.76 -0.03 0.35 -1.72 0.00 0.00 179.24 178.60 3pbg n THR 446 N -3.20 0.00 -1.51 0.35 -2.24 -0.48 -4.98 114.28 102.22 3pbg n THR 446 Ca -0.03 -0.48 -0.18 0.00 -2.27 0.00 0.00 64.05 61.09 3pbg n THR 446 Cb 0.87 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 70.04 3pbg n THR 446 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3pbg n GLN 447 N -0.40 -1.39 -2.80 -0.78 1.13 0.39 -4.94 117.38 108.59 3pbg n GLN 447 Ca 0.01 1.04 -0.40 0.00 -1.94 0.00 0.00 57.00 55.70 3pbg n GLN 447 Cb 0.04 -5.37 -0.06 0.00 0.11 0.00 0.00 30.24 24.97 3pbg n GLN 447 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3pbg s GLU 448 N -3.50 4.75 -0.18 -1.09 0.41 -1.22 -4.81 118.70 113.07 3pbg s GLU 448 Ca 0.00 1.40 -0.06 0.00 -0.41 0.00 0.00 54.97 55.90 3pbg s GLU 448 Cb 0.00 -3.31 -0.03 0.00 -1.78 0.00 0.00 34.13 29.01 3pbg s GLU 448 CO 0.00 0.44 0.03 1.03 -0.49 0.00 0.00 175.26 176.27 3pbg s ARG 449 N -0.81 3.83 -0.14 1.61 3.00 -1.26 -1.28 118.95 123.89 3pbg s ARG 449 Ca 0.41 -0.42 0.02 0.00 0.00 0.00 0.00 55.73 55.74 3pbg s ARG 449 Cb -0.25 -3.13 0.01 0.00 0.00 0.00 0.00 34.95 31.59 3pbg s ARG 449 CO 0.30 0.20 -0.21 0.71 0.00 0.00 0.00 175.30 176.30 3pbg s TYR 450 N 0.54 2.58 0.16 -0.53 1.51 0.11 -4.93 117.35 116.80 3pbg s TYR 450 Ca 0.01 -1.33 -0.31 0.00 -1.01 0.00 0.00 57.07 54.43 3pbg s TYR 450 Cb -0.13 -1.77 -0.09 0.00 -0.11 0.00 0.00 41.96 39.85 3pbg s TYR 450 CO 0.02 -0.63 1.40 -1.25 -1.11 0.00 0.00 175.55 173.98 3pbg s PRO 451 N 0.92 4.32 0.68 -1.71 0.04 -1.26 -0.18 135.00 137.80 3pbg s PRO 451 Ca -0.05 2.14 -0.05 0.00 0.04 0.00 0.00 61.00 63.08 3pbg s PRO 451 Cb -0.15 -3.20 0.06 0.00 0.04 0.00 0.00 34.50 31.25 3pbg s PRO 451 CO -0.04 -0.41 0.97 0.15 0.04 0.00 0.00 177.00 177.71 3pbg s LYS 452 N 0.58 2.22 0.39 4.56 1.02 -0.96 -4.55 119.74 123.00 3pbg s LYS 452 Ca 0.62 -0.41 0.11 0.00 0.02 0.00 0.00 55.97 56.32 3pbg s LYS 452 Cb -0.38 -2.24 0.91 0.00 -0.52 0.00 0.00 37.83 35.60 3pbg s LYS 452 CO 0.34 -1.16 1.91 -0.22 -0.92 0.00 0.00 175.35 175.30 3pbg h LYS 453 N -0.47 0.56 0.00 1.68 3.64 -1.61 0.27 116.57 120.64 3pbg h LYS 453 Ca -0.44 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 3pbg h LYS 453 Cb 1.31 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 3pbg h LYS 453 CO 0.57 0.37 -0.27 0.66 -2.27 0.00 0.00 179.45 178.52 3pbg h SER 454 N 0.58 0.00 0.10 4.20 4.64 -1.86 -2.04 113.55 119.17 3pbg h SER 454 Ca 0.39 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3pbg h SER 454 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3pbg h SER 454 CO -0.15 0.27 -0.05 0.00 -0.87 0.00 0.00 176.83 176.03 3pbg h ALA 455 N 1.73 -0.14 -0.73 5.18 0.00 -1.09 0.36 119.26 124.57 3pbg h ALA 455 Ca -0.00 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3pbg h ALA 455 Cb 0.52 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 3pbg h ALA 455 CO 0.03 -0.54 0.44 0.45 0.00 0.00 0.00 179.25 179.63 3pbg h HIS 456 N -0.20 0.81 -0.29 0.00 -0.00 -1.49 -0.36 115.15 113.61 3pbg h HIS 456 Ca -0.01 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.30 3pbg h HIS 456 Cb 0.16 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.30 3pbg h HIS 456 CO -0.05 0.42 -0.18 2.35 -0.00 0.00 0.00 177.93 180.47 3pbg h TRP 457 N 0.82 0.57 -0.37 2.45 7.01 -1.01 -2.73 115.95 122.69 3pbg h TRP 457 Ca 0.31 -0.10 -0.13 0.00 2.11 0.00 0.00 58.89 61.08 3pbg h TRP 457 Cb 0.12 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 3pbg h TRP 457 CO -0.05 0.67 -0.30 -0.92 -2.79 0.00 0.00 178.44 175.05 3pbg h TYR 458 N 0.47 0.92 -0.10 2.65 3.20 0.96 -1.91 116.97 123.15 3pbg h TYR 458 Ca 0.08 -0.24 0.02 0.00 3.14 0.00 0.00 58.73 61.73 3pbg h TYR 458 Cb 0.58 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3pbg h TYR 458 CO 0.02 0.99 -0.02 -0.22 -1.64 0.00 0.00 178.16 177.29 3pbg h LYS 459 N 0.67 0.01 -0.26 1.82 3.64 -0.86 0.25 116.57 121.84 3pbg h LYS 459 Ca 0.08 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3pbg h LYS 459 Cb 0.83 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 3pbg h LYS 459 CO 0.07 0.01 0.12 -0.22 -2.27 0.00 0.00 179.45 177.15 3pbg h LYS 460 N 0.01 0.24 0.10 1.90 3.11 -1.39 -1.84 116.57 118.70 3pbg h LYS 460 Ca 0.05 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.87 3pbg h LYS 460 Cb 0.07 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 3pbg h LYS 460 CO -0.10 0.16 -0.05 1.25 -2.81 0.00 0.00 179.45 177.91 3pbg h LEU 461 N 0.25 -0.11 -0.26 5.20 5.85 -0.95 -2.57 115.31 122.72 3pbg h LEU 461 Ca 0.11 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.87 3pbg h LEU 461 Cb 0.05 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 3pbg h LEU 461 CO -0.09 -0.05 -0.26 0.00 -0.34 0.00 0.00 178.44 177.70 3pbg h ALA 462 N 0.73 -0.15 -0.03 1.25 0.00 -0.30 0.20 119.26 120.97 3pbg h ALA 462 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3pbg h ALA 462 Cb 0.13 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3pbg h ALA 462 CO 0.02 -0.69 0.00 -0.85 0.00 0.00 0.00 179.25 177.74 3pbg n GLU 463 N -5.39 1.18 0.00 0.00 0.28 -0.71 -3.78 120.64 112.23 3pbg n GLU 463 Ca -0.01 -0.27 0.00 0.00 -0.16 0.00 0.00 57.16 56.72 3pbg n GLU 463 Cb 0.30 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 31.79 3pbg n GLU 463 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3pbg n THR 464 N -0.58 0.00 -2.21 3.84 -1.04 -0.97 -5.00 114.28 108.32 3pbg n THR 464 Ca 0.18 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.01 3pbg n THR 464 Cb 0.15 -0.40 -0.02 0.00 -1.82 0.00 0.00 70.33 68.24 3pbg n THR 464 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3pbg n GLN 465 N -1.53 -1.37 -4.09 -2.82 1.13 0.68 -4.98 117.38 104.41 3pbg n GLN 465 Ca 0.00 0.89 -0.33 0.00 -1.94 0.00 0.00 57.00 55.62 3pbg n GLN 465 Cb 0.27 -5.32 -0.16 0.00 0.11 0.00 0.00 30.24 25.14 3pbg n GLN 465 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3pbg s VAL 466 N -2.84 2.23 -1.08 5.09 1.01 -1.25 -1.77 120.40 121.78 3pbg s VAL 466 Ca 0.00 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 60.75 3pbg s VAL 466 Cb 0.00 -2.02 0.06 0.00 0.00 0.00 0.00 36.38 34.43 3pbg s VAL 466 CO 0.00 0.42 1.49 -0.63 0.00 0.00 0.00 175.10 176.38 3pbg s ILE 467 N 1.28 4.05 0.00 2.22 1.01 -0.17 -4.68 121.20 124.90 3pbg s ILE 467 Ca 0.03 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.55 3pbg s ILE 467 Cb -0.14 -5.07 0.00 0.00 0.01 0.00 0.00 42.46 37.26 3pbg s ILE 467 CO -0.10 -1.92 0.43 -1.84 0.00 0.00 0.00 174.94 171.50