#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bbu n VAL 12 N 0.00 0.00 -0.32 2.52 0.24 -1.26 -4.36 118.33 115.14 1bbu n VAL 12 Ca 0.00 -0.02 0.16 0.00 -2.04 0.00 0.00 64.34 62.44 1bbu n VAL 12 Cb 0.00 0.96 0.35 0.00 -1.47 0.00 0.00 33.84 33.68 1bbu n VAL 12 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1bbu h ASP 13 N 0.00 0.49 0.17 -1.34 3.32 -2.05 -2.36 116.42 114.64 1bbu h ASP 13 Ca 0.00 0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1bbu h ASP 13 Cb 0.52 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1bbu h ASP 13 CO 0.00 0.03 -0.08 0.25 -1.72 0.00 0.00 179.24 177.72 1bbu h LEU 14 N 0.47 -0.19 -1.81 1.55 5.85 -2.00 -1.36 115.31 117.82 1bbu h LEU 14 Ca 0.61 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.27 1bbu h LEU 14 Cb 1.18 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1bbu h LEU 14 CO -0.51 -0.08 -0.06 -1.13 -0.34 0.00 0.00 178.44 176.31 1bbu h ASN 15 N -0.28 0.00 -0.01 1.25 -1.24 -1.71 0.42 115.58 114.00 1bbu h ASN 15 Ca -0.02 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.88 1bbu h ASN 15 Cb 0.22 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.28 1bbu h ASN 15 CO 0.04 0.06 -0.41 0.78 -1.29 0.00 0.00 177.43 176.62 1bbu h ASN 16 N 0.00 0.37 -0.79 1.15 2.35 -1.31 -2.16 115.58 115.19 1bbu h ASN 16 Ca -0.00 -0.76 0.13 0.00 -0.55 0.00 0.00 56.30 55.12 1bbu h ASN 16 Cb 0.41 -0.11 -0.09 0.00 0.05 0.00 0.00 38.32 38.57 1bbu h ASN 16 CO 0.01 1.08 0.38 -0.33 -1.65 0.00 0.00 177.43 176.92 1bbu h GLU 17 N -0.30 0.55 0.46 0.81 4.39 -0.64 0.14 114.58 119.99 1bbu h GLU 17 Ca -0.05 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1bbu h GLU 17 Cb 1.14 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1bbu h GLU 17 CO 0.08 0.37 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.01 1bbu h LEU 18 N 0.57 -0.53 -1.97 1.33 3.38 -0.95 -1.47 115.31 115.68 1bbu h LEU 18 Ca 0.42 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1bbu h LEU 18 Cb 0.58 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1bbu h LEU 18 CO -0.35 -0.25 -0.06 0.11 0.09 0.00 0.00 178.44 177.98 1bbu h LYS 19 N -0.80 0.00 0.11 1.13 1.79 -0.85 0.28 116.57 118.23 1bbu h LYS 19 Ca -0.06 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1bbu h LYS 19 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1bbu h LYS 19 CO 0.10 0.06 -0.05 0.00 -1.08 0.00 0.00 179.45 178.48 1bbu h THR 20 N 0.00 0.96 -0.59 -0.16 1.03 -0.64 -2.55 112.91 110.96 1bbu h THR 20 Ca -0.00 -1.34 0.08 0.00 -0.01 0.00 0.00 66.41 65.14 1bbu h THR 20 Cb 0.11 1.67 -0.04 0.00 -1.07 0.00 0.00 68.15 68.82 1bbu h THR 20 CO 0.01 0.27 0.39 0.03 -0.01 0.00 0.00 175.52 176.21 1bbu h ARG 21 N -0.88 0.46 0.55 0.00 3.08 -0.96 -0.57 114.38 116.06 1bbu h ARG 21 Ca -0.01 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1bbu h ARG 21 Cb 0.55 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 1bbu h ARG 21 CO 0.02 0.31 -0.34 0.00 -1.07 0.00 0.00 179.97 178.89 1bbu h ARG 22 N 0.48 -0.81 -0.79 0.04 2.47 -0.44 -2.78 114.38 112.55 1bbu h ARG 22 Ca 0.27 0.06 0.02 0.00 -1.26 0.00 0.00 59.98 59.06 1bbu h ARG 22 Cb 0.42 0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.88 1bbu h ARG 22 CO -0.08 -0.54 0.52 0.93 0.56 0.00 0.00 179.97 181.37 1bbu h GLU 23 N -0.84 1.00 -0.89 0.04 5.08 -0.88 -1.36 114.58 116.73 1bbu h GLU 23 Ca -0.07 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1bbu h GLU 23 Cb 0.67 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 1bbu h GLU 23 CO 0.07 0.66 0.58 0.87 -1.00 0.00 0.00 179.01 180.19 1bbu h LYS 24 N 1.03 0.87 -0.01 2.33 1.57 -1.10 -2.52 116.57 118.75 1bbu h LYS 24 Ca 0.30 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1bbu h LYS 24 Cb -0.06 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.05 1bbu h LYS 24 CO -0.07 0.58 -0.00 1.25 -0.57 0.00 0.00 179.45 180.63 1bbu h LEU 25 N 0.90 0.01 -1.96 2.94 5.85 -0.97 -2.07 115.31 120.01 1bbu h LEU 25 Ca 0.41 -0.46 0.16 0.00 0.84 0.00 0.00 57.88 58.83 1bbu h LEU 25 Cb 0.38 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1bbu h LEU 25 CO -0.17 0.47 0.50 0.00 -0.34 0.00 0.00 178.44 178.91 1bbu h ALA 26 N 0.54 2.38 0.10 1.25 0.00 -1.17 0.11 119.26 122.48 1bbu h ALA 26 Ca 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1bbu h ALA 26 Cb 0.47 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1bbu h ALA 26 CO 0.00 -0.80 -0.89 -0.91 0.00 0.00 0.00 179.25 176.66 1bbu h ASN 27 N 0.00 0.60 -0.72 0.00 2.35 -1.34 -3.15 115.58 113.32 1bbu h ASN 27 Ca 0.27 -0.87 0.06 0.00 -0.55 0.00 0.00 56.30 55.21 1bbu h ASN 27 Cb 1.27 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 39.41 1bbu h ASN 27 CO -0.00 1.41 0.47 -0.07 -1.65 0.00 0.00 177.43 177.59 1bbu h LEU 28 N -0.13 0.67 -0.55 1.61 3.38 -0.11 -2.20 115.31 117.99 1bbu h LEU 28 Ca -0.14 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1bbu h LEU 28 Cb 1.64 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 1bbu h LEU 28 CO 0.17 0.44 0.01 0.03 0.09 0.00 0.00 178.44 179.18 1bbu h ARG 29 N 0.76 0.96 -0.26 1.13 3.08 -1.21 -2.69 114.38 116.16 1bbu h ARG 29 Ca 0.31 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1bbu h ARG 29 Cb 0.23 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1bbu h ARG 29 CO -0.10 0.96 0.00 0.93 -1.07 0.00 0.00 179.97 180.70 1bbu h GLU 30 N 0.84 0.39 0.00 0.04 5.08 -1.37 -2.79 114.58 116.77 1bbu h GLU 30 Ca 0.16 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1bbu h GLU 30 Cb 0.52 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1bbu h GLU 30 CO 0.03 0.41 -0.20 1.96 -1.00 0.00 0.00 179.01 180.21 1bbu h GLN 31 N 0.38 0.00 0.00 2.33 4.20 -1.20 -3.49 115.11 117.32 1bbu h GLN 31 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1bbu h GLN 31 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1bbu h GLN 31 CO 0.01 0.20 0.00 0.41 -0.67 0.00 0.00 178.83 178.78 1bbu n GLY 32 N 0.67 -0.53 3.40 3.46 0.00 -1.04 -5.07 105.19 106.09 1bbu n GLY 32 Ca 0.02 -0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 1bbu n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bbu s ILE 33 N -0.94 5.07 0.29 -0.61 1.01 -1.26 -4.55 121.20 120.21 1bbu s ILE 33 Ca 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 1bbu s ILE 33 Cb 0.00 -4.23 0.19 0.00 0.01 0.00 0.00 42.46 38.43 1bbu s ILE 33 CO 0.00 -0.72 1.87 0.00 0.00 0.00 0.00 174.94 176.09 1bbu h ALA 34 N 8.88 1.27 -2.83 9.38 0.00 -1.89 -3.35 119.26 130.73 1bbu h ALA 34 Ca -0.28 -0.16 -0.68 0.00 0.00 0.00 0.00 54.91 53.79 1bbu h ALA 34 Cb 1.10 -0.25 -0.38 0.00 0.00 0.00 0.00 17.79 18.27 1bbu h ALA 34 CO 0.93 0.54 -0.24 1.19 0.00 0.00 0.00 179.25 181.67 1bbu n PHE 35 N -4.32 3.84 -2.32 0.00 3.01 -1.26 -4.80 117.46 111.61 1bbu n PHE 35 Ca 0.05 -4.14 -0.37 0.00 1.01 0.00 0.00 57.45 54.01 1bbu n PHE 35 Cb 0.17 -0.95 -0.02 0.00 -0.01 0.00 0.00 39.48 38.67 1bbu n PHE 35 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1bbu s PRO 36 N -1.55 3.86 -0.39 -1.08 0.04 -1.26 -4.99 135.00 129.63 1bbu s PRO 36 Ca 0.28 1.72 0.12 0.00 0.04 0.00 0.00 61.00 63.17 1bbu s PRO 36 Cb -0.04 -2.45 0.38 0.00 0.04 0.00 0.00 34.50 32.44 1bbu s PRO 36 CO -0.12 -0.46 0.84 0.27 0.04 0.00 0.00 177.00 177.57 1bbu n ASN 37 N -0.38 1.71 0.00 6.66 6.94 -1.26 -4.81 115.26 124.12 1bbu n ASN 37 Ca 0.07 -3.06 0.00 0.00 -0.02 0.00 0.00 54.58 51.57 1bbu n ASN 37 Cb 0.48 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 1bbu n ASN 37 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1bbu n ASP 38 N 0.07 0.74 -4.77 0.53 5.75 -1.26 -5.04 116.55 112.57 1bbu n ASP 38 Ca 0.22 -0.17 -0.41 0.00 -0.01 0.00 0.00 54.79 54.42 1bbu n ASP 38 Cb 0.67 0.49 -0.02 0.00 -1.03 0.00 0.00 41.12 41.23 1bbu n ASP 38 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1bbu s PHE 39 N -0.64 3.06 -0.08 2.11 5.36 -1.26 -5.01 117.98 121.52 1bbu s PHE 39 Ca 0.00 1.42 -0.00 0.00 -0.96 0.00 0.00 56.93 57.39 1bbu s PHE 39 Cb 0.00 -3.67 0.02 0.00 -0.34 0.00 0.00 43.02 39.03 1bbu s PHE 39 CO 0.00 -1.82 -0.04 1.03 -1.46 0.00 0.00 175.22 172.93 1bbu s ARG 40 N -1.78 0.99 0.42 10.12 1.81 -1.26 -5.15 118.95 124.11 1bbu s ARG 40 Ca 0.49 -0.08 -0.03 0.00 -1.72 0.00 0.00 55.73 54.39 1bbu s ARG 40 Cb -0.40 -1.15 0.09 0.00 -0.45 0.00 0.00 34.95 33.05 1bbu s ARG 40 CO 0.53 -0.22 0.57 2.89 -0.68 0.00 0.00 175.30 178.39 1bbu n ARG 41 N 4.75 -0.04 0.00 3.54 1.85 -1.26 -4.86 116.66 120.64 1bbu n ARG 41 Ca -0.14 -1.31 0.00 0.00 -1.00 0.00 0.00 57.85 55.40 1bbu n ARG 41 Cb 0.50 -0.46 0.00 0.00 -1.05 0.00 0.00 32.46 31.46 1bbu n ARG 41 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1bbu n ASP 42 N -3.10 0.00 -3.69 2.89 5.68 -0.37 -4.95 116.55 113.00 1bbu n ASP 42 Ca 0.09 -1.00 -0.14 0.00 -0.50 0.00 0.00 54.79 53.24 1bbu n ASP 42 Cb 0.30 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.21 1bbu n ASP 42 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1bbu s HIS 43 N 0.00 -0.28 0.11 2.11 3.76 -1.12 -4.93 115.29 114.93 1bbu s HIS 43 Ca 0.00 0.39 0.09 0.00 -0.15 0.00 0.00 55.06 55.39 1bbu s HIS 43 Cb 0.00 0.18 -0.04 0.00 1.11 0.00 0.00 32.58 33.83 1bbu s HIS 43 CO 0.00 -0.48 -0.19 0.95 -0.85 0.00 0.00 174.74 174.17 1bbu s THR 44 N -1.65 2.78 0.21 1.30 -4.23 -1.26 -4.64 115.64 108.15 1bbu s THR 44 Ca -0.11 -1.49 -0.21 0.00 -1.18 0.00 0.00 61.69 58.71 1bbu s THR 44 Cb -0.03 -2.26 0.17 0.00 1.34 0.00 0.00 72.50 71.72 1bbu s THR 44 CO 0.03 0.13 1.55 0.77 -0.54 0.00 0.00 174.62 176.56 1bbu h SER 45 N 3.84 -1.57 -0.97 3.99 4.64 -1.88 0.70 113.55 122.30 1bbu h SER 45 Ca -0.50 0.31 0.18 0.00 -0.47 0.00 0.00 61.79 61.31 1bbu h SER 45 Cb 1.17 0.79 -0.11 0.00 -0.31 0.00 0.00 62.40 63.94 1bbu h SER 45 CO 0.45 -0.28 0.57 -2.24 -0.87 0.00 0.00 176.83 174.47 1bbu h ASP 46 N -0.02 0.73 -0.04 4.97 2.03 -1.84 0.39 116.42 122.64 1bbu h ASP 46 Ca 0.30 0.10 -0.01 0.00 -0.73 0.00 0.00 57.03 56.69 1bbu h ASP 46 Cb 0.56 -0.03 -0.00 0.00 -0.83 0.00 0.00 39.33 39.03 1bbu h ASP 46 CO -0.95 0.26 -0.01 1.56 -1.03 0.00 0.00 179.24 179.06 1bbu h GLN 47 N 0.73 0.08 -0.13 4.15 4.20 -1.24 0.12 115.11 123.02 1bbu h GLN 47 Ca 0.56 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 59.26 1bbu h GLN 47 Cb 0.86 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 1bbu h GLN 47 CO -0.39 0.44 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.11 1bbu h LEU 48 N -0.29 -0.12 -0.04 1.46 3.38 -0.20 -1.01 115.31 118.50 1bbu h LEU 48 Ca 0.01 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1bbu h LEU 48 Cb 0.41 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1bbu h LEU 48 CO 0.00 -0.04 0.02 0.45 0.09 0.00 0.00 178.44 178.96 1bbu h HIS 49 N 0.00 0.05 -0.41 1.13 3.86 -0.27 0.67 115.15 120.18 1bbu h HIS 49 Ca 0.06 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.35 1bbu h HIS 49 Cb 0.09 -0.02 -0.07 0.00 1.06 0.00 0.00 27.41 28.48 1bbu h HIS 49 CO -0.17 0.12 -0.04 0.00 0.86 0.00 0.00 177.93 178.70 1bbu h ALA 50 N 0.92 0.33 0.00 2.45 0.00 -0.58 -0.70 119.26 121.68 1bbu h ALA 50 Ca 0.01 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1bbu h ALA 50 Cb 0.09 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1bbu h ALA 50 CO -0.00 -0.42 -0.85 1.49 0.00 0.00 0.00 179.25 179.47 1bbu h GLU 51 N 0.06 0.00 0.00 0.00 4.81 -1.11 -3.41 114.58 114.93 1bbu h GLU 51 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1bbu h GLU 51 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1bbu h GLU 51 CO -0.37 0.03 -0.16 1.19 -0.73 0.00 0.00 179.01 178.97 1bbu n PHE 52 N -2.78 0.00 0.64 0.92 3.72 0.22 -4.60 117.46 115.59 1bbu n PHE 52 Ca 0.00 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.47 1bbu n PHE 52 Cb 0.57 -0.00 0.34 0.00 -0.94 0.00 0.00 39.48 39.45 1bbu n PHE 52 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1bbu n ASP 53 N -1.08 0.00 -1.22 4.37 9.92 -0.28 -1.99 116.55 126.27 1bbu n ASP 53 Ca 0.01 0.09 0.12 0.00 -0.53 0.00 0.00 54.79 54.48 1bbu n ASP 53 Cb 0.05 -0.29 0.27 0.00 -0.64 0.00 0.00 41.12 40.51 1bbu n ASP 53 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bbu n GLY 54 N -0.12 2.00 3.56 0.44 0.00 -1.26 -4.97 105.19 104.84 1bbu n GLY 54 Ca 0.06 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 1bbu n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bbu s LYS 55 N -1.27 2.05 0.46 1.61 -0.14 -0.84 -5.14 119.74 116.47 1bbu s LYS 55 Ca 0.43 -1.13 0.06 0.00 -1.36 0.00 0.00 55.97 53.97 1bbu s LYS 55 Cb 0.24 -2.23 0.02 0.00 -1.68 0.00 0.00 37.83 34.17 1bbu s LYS 55 CO 0.32 0.48 0.64 -1.83 -0.76 0.00 0.00 175.35 174.20 1bbu s GLU 56 N -2.40 2.73 0.41 1.68 -1.05 -1.26 -5.00 118.70 113.81 1bbu s GLU 56 Ca 0.22 -1.09 0.21 0.00 -0.15 0.00 0.00 54.97 54.16 1bbu s GLU 56 Cb -0.10 -2.67 0.84 0.00 -0.44 0.00 0.00 34.13 31.76 1bbu s GLU 56 CO 0.14 -0.42 1.80 -0.97 0.95 0.00 0.00 175.26 176.76 1bbu h ASN 57 N 0.45 0.00 -0.49 0.83 -1.24 -1.97 -2.66 115.58 110.50 1bbu h ASN 57 Ca -0.41 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.51 1bbu h ASN 57 Cb 1.29 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.32 1bbu h ASN 57 CO 0.47 0.30 -0.05 -0.33 -1.29 0.00 0.00 177.43 176.53 1bbu h GLU 58 N 0.00 0.94 0.21 6.67 3.07 -2.01 -2.55 114.58 120.91 1bbu h GLU 58 Ca -0.00 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 58.54 1bbu h GLU 58 Cb 0.77 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1bbu h GLU 58 CO 0.04 0.96 -0.10 0.93 -1.40 0.00 0.00 179.01 179.44 1bbu h GLU 59 N 0.85 -0.27 -0.81 2.33 5.08 -1.92 -3.27 114.58 116.57 1bbu h GLU 59 Ca 0.15 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.69 1bbu h GLU 59 Cb 0.57 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 29.73 1bbu h GLU 59 CO 0.03 -0.18 -0.21 -0.07 -1.00 0.00 0.00 179.01 177.58 1bbu h LEU 60 N -0.32 -0.77 -0.87 1.33 3.38 -1.52 0.13 115.31 116.67 1bbu h LEU 60 Ca -0.03 0.24 0.13 0.00 0.09 0.00 0.00 57.88 58.31 1bbu h LEU 60 Cb 0.22 0.51 -0.09 0.00 0.09 0.00 0.00 40.66 41.39 1bbu h LEU 60 CO 0.05 -0.27 0.49 1.05 0.09 0.00 0.00 178.44 179.84 1bbu h GLU 61 N -0.00 0.72 0.18 1.13 9.09 -1.58 -1.30 114.58 122.81 1bbu h GLU 61 Ca 0.39 -0.04 -0.32 0.00 0.05 0.00 0.00 59.36 59.44 1bbu h GLU 61 Cb 0.59 -0.16 0.03 0.00 -1.65 0.00 0.00 28.75 27.56 1bbu h GLU 61 CO -0.84 0.48 -1.35 0.00 0.05 0.00 0.00 179.01 177.35 1bbu h ALA 62 N 1.52 -0.08 -0.95 1.06 0.00 -0.96 -3.31 119.26 116.54 1bbu h ALA 62 Ca 0.45 -0.81 0.05 0.00 0.00 0.00 0.00 54.91 54.60 1bbu h ALA 62 Cb 0.54 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1bbu h ALA 62 CO -0.31 0.69 0.62 -0.07 0.00 0.00 0.00 179.25 180.18 1bbu h LEU 63 N 0.23 1.01 -1.84 0.00 3.38 -0.35 -3.47 115.31 114.27 1bbu h LEU 63 Ca -0.22 -0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.38 1bbu h LEU 63 Cb 2.03 -0.22 0.11 0.00 0.09 0.00 0.00 40.66 42.68 1bbu h LEU 63 CO 0.26 0.68 -0.81 -3.20 0.09 0.00 0.00 178.44 175.45 1bbu n ASN 64 N -4.50 -2.10 -4.58 -0.43 5.15 -0.54 -4.96 115.26 103.30 1bbu n ASN 64 Ca 0.13 -0.74 -0.42 0.00 -0.60 0.00 0.00 54.58 52.95 1bbu n ASN 64 Cb 0.13 -4.56 -0.05 0.00 -0.53 0.00 0.00 39.78 34.76 1bbu n ASN 64 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1bbu s ILE 65 N -3.51 4.68 0.17 -1.44 1.09 -1.26 -5.01 121.20 115.91 1bbu s ILE 65 Ca 0.05 0.84 -0.09 0.00 -1.10 0.00 0.00 60.65 60.36 1bbu s ILE 65 Cb -0.01 -4.26 -0.06 0.00 -1.06 0.00 0.00 42.46 37.06 1bbu s ILE 65 CO 0.77 -0.53 0.48 -0.70 -0.10 0.00 0.00 174.94 174.87 1bbu s GLU 66 N 3.24 3.77 0.22 2.79 2.12 -1.26 -2.78 118.70 126.80 1bbu s GLU 66 Ca 0.32 0.19 -0.00 0.00 0.36 0.00 0.00 54.97 55.84 1bbu s GLU 66 Cb -0.13 -2.80 -0.04 0.00 0.26 0.00 0.00 34.13 31.43 1bbu s GLU 66 CO 0.19 0.42 0.18 0.14 -0.54 0.00 0.00 175.26 175.64 1bbu s VAL 67 N -1.66 0.00 -0.02 3.70 -7.23 -1.02 -4.99 120.40 109.19 1bbu s VAL 67 Ca 0.42 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 1bbu s VAL 67 Cb -0.12 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.35 1bbu s VAL 67 CO 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.01 1bbu s ALA 68 N -4.03 0.16 0.10 1.32 0.00 -1.26 -1.69 121.76 116.36 1bbu s ALA 68 Ca 0.38 0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.43 1bbu s ALA 68 Cb 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1bbu s ALA 68 CO 0.14 -0.04 0.08 0.14 0.00 0.00 0.00 175.76 176.08 1bbu s VAL 69 N 0.61 0.15 0.01 0.00 -7.23 0.79 -1.24 120.40 113.50 1bbu s VAL 69 Ca -0.05 -1.68 -0.06 0.00 -1.81 0.00 0.00 61.98 58.38 1bbu s VAL 69 Cb -0.08 -1.69 -0.00 0.00 0.56 0.00 0.00 36.38 35.16 1bbu s VAL 69 CO -0.01 -0.68 0.11 0.00 -0.31 0.00 0.00 175.10 174.20 1bbu s ALA 70 N -3.96 -0.20 0.00 1.32 0.00 -1.26 -0.06 121.76 117.60 1bbu s ALA 70 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1bbu s ALA 70 Cb 0.07 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.34 1bbu s ALA 70 CO -0.05 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1bbu n GLY 71 N 1.28 -1.16 3.78 0.00 0.00 -0.55 -4.56 105.19 103.98 1bbu n GLY 71 Ca -0.22 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 1bbu n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bbu s ARG 72 N -0.00 4.00 -0.44 1.61 3.52 -0.33 -0.31 118.95 127.01 1bbu s ARG 72 Ca 0.00 -0.01 -0.28 0.00 -0.13 0.00 0.00 55.73 55.31 1bbu s ARG 72 Cb 0.00 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 30.05 1bbu s ARG 72 CO 0.00 0.44 1.46 1.41 -0.81 0.00 0.00 175.30 177.80 1bbu s MET 73 N -0.10 3.47 -0.17 5.12 -2.45 0.12 -0.60 119.30 124.69 1bbu s MET 73 Ca 0.15 0.89 -0.18 0.00 -1.25 0.00 0.00 55.69 55.30 1bbu s MET 73 Cb -0.13 -4.07 -0.22 0.00 1.25 0.00 0.00 34.83 31.66 1bbu s MET 73 CO 0.03 -1.69 0.32 0.52 1.05 0.00 0.00 175.02 175.25 1bbu h MET 74 N 11.10 0.10 -3.14 4.11 0.00 -1.29 0.19 114.93 126.00 1bbu h MET 74 Ca -0.28 -0.16 -0.19 0.00 0.00 0.00 0.00 59.70 59.07 1bbu h MET 74 Cb 1.11 0.06 -0.28 0.00 0.00 0.00 0.00 31.60 32.49 1bbu h MET 74 CO 1.10 1.08 -0.48 0.95 0.00 0.00 0.00 176.91 179.56 1bbu s THR 75 N -2.42 -0.02 -0.19 2.22 -4.23 -1.23 -4.82 115.64 104.95 1bbu s THR 75 Ca -0.26 0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 60.29 1bbu s THR 75 Cb 0.05 -0.33 0.06 0.00 1.34 0.00 0.00 72.50 73.62 1bbu s THR 75 CO 0.66 0.03 0.03 -0.60 -0.54 0.00 0.00 174.62 174.20 1bbu s ARG 76 N 0.61 0.68 -0.65 3.99 3.52 -1.26 -0.32 118.95 125.52 1bbu s ARG 76 Ca -0.04 -0.43 -0.18 0.00 -0.13 0.00 0.00 55.73 54.95 1bbu s ARG 76 Cb -0.06 -2.10 0.13 0.00 -1.56 0.00 0.00 34.95 31.36 1bbu s ARG 76 CO -0.03 -0.63 0.74 -0.98 -0.81 0.00 0.00 175.30 173.58 1bbu s ARG 77 N 1.85 3.17 -0.25 5.12 1.04 0.14 -4.97 118.95 125.06 1bbu s ARG 77 Ca -0.01 -1.57 -0.29 0.00 -1.04 0.00 0.00 55.73 52.82 1bbu s ARG 77 Cb -0.17 -4.36 -0.00 0.00 -2.04 0.00 0.00 34.95 28.38 1bbu s ARG 77 CO -0.08 -1.51 1.26 0.42 -0.04 0.00 0.00 175.30 175.35 1bbu s ILE 78 N 2.23 4.25 -0.62 4.99 1.01 -1.26 -2.24 121.20 129.56 1bbu s ILE 78 Ca 0.14 1.46 0.03 0.00 0.00 0.00 0.00 60.65 62.27 1bbu s ILE 78 Cb -0.21 -4.12 0.37 0.00 0.01 0.00 0.00 42.46 38.51 1bbu s ILE 78 CO 0.02 -0.33 1.31 0.23 0.00 0.00 0.00 174.94 176.16 1bbu n MET 79 N 6.97 3.49 0.00 2.79 2.81 -0.13 -5.01 117.12 128.04 1bbu n MET 79 Ca 0.14 -4.46 0.00 0.00 -1.81 0.00 0.00 57.70 51.58 1bbu n MET 79 Cb 0.46 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.69 1bbu n MET 79 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1bbu n GLY 80 N -0.38 1.44 1.34 3.03 0.00 -1.26 -3.17 105.19 106.19 1bbu n GLY 80 Ca 0.40 0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.72 1bbu n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bbu n LYS 81 N 0.00 2.88 -3.66 1.61 0.00 -1.26 -4.90 118.16 112.83 1bbu n LYS 81 Ca 0.00 -2.53 -0.13 0.00 -0.00 0.00 0.00 58.31 55.65 1bbu n LYS 81 Cb 0.00 -1.63 -0.06 0.00 -0.00 0.00 0.00 35.03 33.34 1bbu n LYS 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bbu s ALA 82 N -1.30 -1.03 0.20 0.58 0.00 -1.19 -2.44 121.76 116.58 1bbu s ALA 82 Ca 0.47 0.34 -0.08 0.00 0.00 0.00 0.00 51.96 52.69 1bbu s ALA 82 Cb 0.26 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 1bbu s ALA 82 CO 0.29 -0.45 0.29 -1.12 0.00 0.00 0.00 175.76 174.77 1bbu s SER 83 N -1.97 0.04 -0.06 0.00 0.01 -0.41 -0.95 113.70 110.36 1bbu s SER 83 Ca -0.06 -1.06 0.03 0.00 1.31 0.00 0.00 55.95 56.18 1bbu s SER 83 Cb -0.01 0.46 0.01 0.00 0.21 0.00 0.00 66.02 66.69 1bbu s SER 83 CO -0.02 -0.95 -0.15 -0.36 0.41 0.00 0.00 173.24 172.17 1bbu s PHE 84 N -4.04 1.62 0.02 2.43 0.40 -0.95 -1.55 117.98 115.90 1bbu s PHE 84 Ca 0.26 -0.57 0.06 0.00 -0.60 0.00 0.00 56.93 56.08 1bbu s PHE 84 Cb 0.03 -1.14 -0.02 0.00 0.51 0.00 0.00 43.02 42.40 1bbu s PHE 84 CO 0.07 -0.26 -0.19 0.08 0.70 0.00 0.00 175.22 175.62 1bbu s VAL 85 N 0.45 1.54 -0.23 -0.44 1.01 -0.83 -0.68 120.40 121.22 1bbu s VAL 85 Ca -0.12 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 1bbu s VAL 85 Cb -0.15 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1bbu s VAL 85 CO 0.04 0.28 0.11 -0.89 0.00 0.00 0.00 175.10 174.64 1bbu s THR 86 N -0.65 4.87 -0.15 3.92 2.01 0.56 -0.80 115.64 125.41 1bbu s THR 86 Ca 0.07 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 1bbu s THR 86 Cb -0.08 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 1bbu s THR 86 CO 0.01 0.36 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.00 1bbu s LEU 87 N 1.13 3.00 -0.21 4.42 2.96 -0.07 -0.78 118.68 129.14 1bbu s LEU 87 Ca 0.06 -0.24 -0.00 0.00 -0.22 0.00 0.00 54.13 53.73 1bbu s LEU 87 Cb -0.14 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.86 1bbu s LEU 87 CO 0.04 0.15 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.51 1bbu s GLN 88 N 0.47 2.97 0.37 1.98 0.74 0.23 0.17 119.66 126.58 1bbu s GLN 88 Ca -0.06 -0.87 0.02 0.00 0.05 0.00 0.00 55.36 54.50 1bbu s GLN 88 Cb -0.15 -2.78 0.02 0.00 1.10 0.00 0.00 33.01 31.20 1bbu s GLN 88 CO 0.03 -0.28 0.14 -0.40 -0.55 0.00 0.00 175.29 174.23 1bbu n ASP 89 N 4.65 2.64 -0.38 6.67 5.68 0.72 -1.18 116.55 135.35 1bbu n ASP 89 Ca -0.19 -2.46 0.33 0.00 -0.50 0.00 0.00 54.79 51.97 1bbu n ASP 89 Cb 0.49 0.12 0.65 0.00 -1.14 0.00 0.00 41.12 41.23 1bbu n ASP 89 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 1bbu h VAL 90 N 0.92 0.35 -0.35 2.12 3.04 -1.99 -1.39 116.25 118.94 1bbu h VAL 90 Ca -0.27 -0.06 -0.11 0.00 -1.01 0.00 0.00 66.70 65.25 1bbu h VAL 90 Cb 0.90 0.17 -0.07 0.00 -2.01 0.00 0.00 31.29 30.28 1bbu h VAL 90 CO 0.44 0.03 0.01 0.61 -1.01 0.00 0.00 177.57 177.65 1bbu n GLY 91 N -1.62 4.46 0.00 3.17 0.00 -1.26 -5.08 105.19 104.86 1bbu n GLY 91 Ca 0.30 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1bbu n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bbu n GLY 92 N -0.83 0.74 3.43 -0.02 0.00 -0.53 -2.61 105.19 105.38 1bbu n GLY 92 Ca 0.29 -2.10 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 1bbu n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bbu s ARG 93 N -0.94 1.66 -0.01 1.61 0.52 -1.26 -0.20 118.95 120.33 1bbu s ARG 93 Ca 0.00 -1.22 -0.02 0.00 -0.52 0.00 0.00 55.73 53.97 1bbu s ARG 93 Cb 0.00 -2.02 -0.00 0.00 0.52 0.00 0.00 34.95 33.45 1bbu s ARG 93 CO 0.00 0.48 0.04 -1.50 0.02 0.00 0.00 175.30 174.34 1bbu s ILE 94 N -1.04 0.04 0.24 1.52 1.10 0.13 -4.88 121.20 118.31 1bbu s ILE 94 Ca 0.15 -0.33 -0.26 0.00 -0.51 0.00 0.00 60.65 59.70 1bbu s ILE 94 Cb -0.10 -0.17 -0.09 0.00 0.15 0.00 0.00 42.46 42.25 1bbu s ILE 94 CO 0.07 -0.18 0.86 -1.10 -2.11 0.00 0.00 174.94 172.47 1bbu s GLN 95 N -0.55 4.60 -0.08 3.50 -1.52 -1.25 -0.89 119.66 123.47 1bbu s GLN 95 Ca -0.06 1.24 0.02 0.00 -1.95 0.00 0.00 55.36 54.62 1bbu s GLN 95 Cb -0.04 -3.07 0.01 0.00 -0.22 0.00 0.00 33.01 29.69 1bbu s GLN 95 CO -0.00 0.45 -0.15 -0.51 -0.25 0.00 0.00 175.29 174.83 1bbu s LEU 96 N -1.54 1.72 -0.46 2.90 1.43 0.02 -0.92 118.68 121.83 1bbu s LEU 96 Ca 0.42 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.98 1bbu s LEU 96 Cb -0.22 -0.99 0.05 0.00 0.03 0.00 0.00 46.19 45.06 1bbu s LEU 96 CO 0.26 0.05 0.48 -0.47 0.23 0.00 0.00 176.35 176.90 1bbu s TYR 97 N 0.71 3.16 -0.57 0.29 5.04 0.55 -1.96 117.35 124.56 1bbu s TYR 97 Ca -0.13 -0.58 -0.16 0.00 -2.44 0.00 0.00 57.07 53.76 1bbu s TYR 97 Cb -0.16 -3.16 0.14 0.00 0.35 0.00 0.00 41.96 39.13 1bbu s TYR 97 CO 0.03 -0.83 0.53 0.08 -1.34 0.00 0.00 175.55 174.02 1bbu s VAL 98 N 2.14 5.25 -0.22 3.14 1.01 -0.60 -2.02 120.40 129.09 1bbu s VAL 98 Ca 0.11 -1.61 -0.06 0.00 0.00 0.00 0.00 61.98 60.42 1bbu s VAL 98 Cb -0.20 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 1bbu s VAL 98 CO 0.11 -0.89 0.03 0.00 0.00 0.00 0.00 175.10 174.35 1bbu s ALA 99 N 1.44 3.08 0.42 5.51 0.00 -1.26 -1.28 121.76 129.67 1bbu s ALA 99 Ca 0.05 -1.06 0.26 0.00 0.00 0.00 0.00 51.96 51.20 1bbu s ALA 99 Cb -0.28 -1.91 1.32 0.00 0.00 0.00 0.00 23.12 22.25 1bbu s ALA 99 CO 0.02 -0.32 1.66 -0.09 0.00 0.00 0.00 175.76 177.03 1bbu h ARG 100 N 7.86 0.17 0.00 0.00 2.43 -1.86 0.19 114.38 123.17 1bbu h ARG 100 Ca -0.38 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1bbu h ARG 100 Cb 1.17 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1bbu h ARG 100 CO 0.60 0.11 -1.23 -0.25 -1.51 0.00 0.00 179.97 177.69 1bbu n ASP 101 N -4.72 0.65 -0.53 -3.80 8.00 -1.26 -4.02 116.55 110.87 1bbu n ASP 101 Ca 0.34 0.24 0.13 0.00 0.71 0.00 0.00 54.79 56.20 1bbu n ASP 101 Cb 1.25 0.81 0.46 0.00 -0.02 0.00 0.00 41.12 43.62 1bbu n ASP 101 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1bbu n ASP 102 N -2.56 1.63 -4.70 -2.24 8.00 0.62 -4.85 116.55 112.46 1bbu n ASP 102 Ca -0.01 -1.60 -0.24 0.00 0.71 0.00 0.00 54.79 53.66 1bbu n ASP 102 Cb 0.55 -0.04 -0.07 0.00 -0.02 0.00 0.00 41.12 41.54 1bbu n ASP 102 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bbu s LEU 103 N -1.83 3.13 0.83 0.64 1.43 -1.01 -4.12 118.68 117.75 1bbu s LEU 103 Ca 0.36 -0.91 -0.13 0.00 -1.03 0.00 0.00 54.13 52.42 1bbu s LEU 103 Cb 0.20 -1.54 0.07 0.00 0.03 0.00 0.00 46.19 44.95 1bbu s LEU 103 CO 0.31 -0.32 1.02 -2.65 0.23 0.00 0.00 176.35 174.94 1bbu n PRO 104 N -1.09 0.04 -1.67 1.29 -0.02 -1.26 -4.86 135.00 127.42 1bbu n PRO 104 Ca -0.03 0.08 -0.43 0.00 -2.02 0.00 0.00 63.50 61.11 1bbu n PRO 104 Cb 0.62 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 1bbu n PRO 104 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1bbu n GLU 105 N -2.93 2.80 0.00 -0.52 2.13 -1.26 -2.79 120.64 118.07 1bbu n GLU 105 Ca 0.12 1.02 0.00 0.00 0.66 0.00 0.00 57.16 58.97 1bbu n GLU 105 Cb 0.51 -2.95 0.00 0.00 0.27 0.00 0.00 31.44 29.27 1bbu n GLU 105 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bbu n GLY 106 N 4.41 3.27 0.23 8.31 0.00 -1.26 -4.93 105.19 115.21 1bbu n GLY 106 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 1bbu n GLY 106 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bbu h VAL 107 N 0.00 0.60 -0.86 1.61 2.07 -1.88 0.24 116.25 118.02 1bbu h VAL 107 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1bbu h VAL 107 Cb 0.00 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1bbu h VAL 107 CO 0.00 0.00 0.55 0.22 0.02 0.00 0.00 177.57 178.36 1bbu h TYR 108 N -0.47 1.11 0.00 1.57 5.03 -1.86 0.50 116.97 122.85 1bbu h TYR 108 Ca -0.03 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1bbu h TYR 108 Cb 0.40 -0.37 0.00 0.00 1.55 0.00 0.00 36.73 38.31 1bbu h TYR 108 CO -0.10 0.72 -0.15 -0.91 -1.32 0.00 0.00 178.16 176.40 1bbu h ASN 109 N 1.18 0.00 0.77 -2.11 2.35 -1.90 -2.11 115.58 113.75 1bbu h ASN 109 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1bbu h ASN 109 Cb -0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1bbu h ASN 109 CO -0.06 0.41 0.00 -0.33 -1.65 0.00 0.00 177.43 175.80 1bbu h GLU 110 N -0.67 0.00 0.00 0.81 5.08 -0.66 -3.39 114.58 115.75 1bbu h GLU 110 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bbu h GLU 110 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1bbu h GLU 110 CO 0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1bbu n GLN 111 N -2.72 0.00 -0.37 2.33 6.02 -0.51 -4.75 117.38 117.39 1bbu n GLN 111 Ca 0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.97 1bbu n GLN 111 Cb 0.24 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.52 1bbu n GLN 111 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1bbu n PHE 112 N -1.72 -0.05 0.30 1.08 7.35 0.16 0.73 117.46 125.31 1bbu n PHE 112 Ca 0.00 1.16 0.17 0.00 -0.76 0.00 0.00 57.45 58.02 1bbu n PHE 112 Cb 0.00 -0.80 0.93 0.00 0.35 0.00 0.00 39.48 39.96 1bbu n PHE 112 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1bbu h LYS 113 N 0.00 0.00 -0.00 -4.13 1.79 -1.56 -2.18 116.57 110.48 1bbu h LYS 113 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1bbu h LYS 113 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1bbu h LYS 113 CO -0.92 0.04 -0.31 0.36 -1.08 0.00 0.00 179.45 177.53 1bbu n LYS 114 N -3.50 0.12 -1.30 3.15 -0.00 0.22 -4.92 118.16 111.93 1bbu n LYS 114 Ca -0.02 -0.05 -0.30 0.00 -0.00 0.00 0.00 58.31 57.93 1bbu n LYS 114 Cb 0.14 -1.50 0.23 0.00 -0.00 0.00 0.00 35.03 33.90 1bbu n LYS 114 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1bbu s TRP 115 N -2.92 0.73 0.24 5.58 0.51 -0.82 -5.08 118.94 117.18 1bbu s TRP 115 Ca 0.14 0.44 0.03 0.00 -2.12 0.00 0.00 56.10 54.59 1bbu s TRP 115 Cb 0.18 -3.63 -0.05 0.00 -0.81 0.00 0.00 33.47 29.16 1bbu s TRP 115 CO 0.62 -3.59 0.01 -0.51 -0.51 0.00 0.00 176.95 172.97 1bbu s ASP 116 N -4.17 1.81 0.33 2.95 1.01 -1.26 -5.07 116.67 112.27 1bbu s ASP 116 Ca 0.72 -1.25 -0.28 0.00 0.71 0.00 0.00 52.55 52.45 1bbu s ASP 116 Cb -0.08 0.02 -0.09 0.00 1.01 0.00 0.00 42.92 43.78 1bbu s ASP 116 CO 0.55 -0.54 1.12 -0.76 0.21 0.00 0.00 175.17 175.74 1bbu s LEU 117 N -3.32 4.40 0.00 1.23 1.43 -1.26 -2.88 118.68 118.27 1bbu s LEU 117 Ca 0.30 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 1bbu s LEU 117 Cb 0.06 -3.81 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1bbu s LEU 117 CO 0.10 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 176.95 1bbu n GLY 118 N 0.89 2.96 3.54 -3.19 0.00 0.06 -4.50 105.19 104.95 1bbu n GLY 118 Ca 0.01 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 1bbu n GLY 118 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bbu n ASP 119 N 0.61 0.47 -4.76 1.61 9.92 -1.14 -4.49 116.55 118.77 1bbu n ASP 119 Ca 0.00 1.04 -0.37 0.00 -0.53 0.00 0.00 54.79 54.93 1bbu n ASP 119 Cb 0.00 -1.24 -0.07 0.00 -0.64 0.00 0.00 41.12 39.18 1bbu n ASP 119 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1bbu s ILE 120 N -1.26 5.26 0.26 0.53 -1.09 -0.39 -0.70 121.20 123.81 1bbu s ILE 120 Ca 0.62 0.63 0.05 0.00 -2.23 0.00 0.00 60.65 59.72 1bbu s ILE 120 Cb -0.63 -3.66 -0.06 0.00 -1.58 0.00 0.00 42.46 36.54 1bbu s ILE 120 CO 0.58 0.43 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.93 1bbu s LEU 121 N 0.13 2.33 -0.02 2.97 1.43 0.58 -0.27 118.68 125.83 1bbu s LEU 121 Ca 0.19 -1.22 0.05 0.00 -1.03 0.00 0.00 54.13 52.12 1bbu s LEU 121 Cb -0.14 -0.45 -0.01 0.00 0.03 0.00 0.00 46.19 45.62 1bbu s LEU 121 CO 0.06 -0.44 -0.16 -0.83 0.23 0.00 0.00 176.35 175.22 1bbu s GLY 122 N -3.38 0.78 0.02 -3.19 0.00 0.48 -1.49 107.32 100.54 1bbu s GLY 122 Ca 0.29 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.36 1bbu s GLY 122 CO 0.11 -0.50 -0.03 0.00 0.00 0.00 0.00 173.10 172.67 1bbu s ALA 123 N -0.27 0.17 -0.04 3.20 0.00 0.92 -0.18 121.76 125.56 1bbu s ALA 123 Ca 0.04 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 1bbu s ALA 123 Cb -0.07 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1bbu s ALA 123 CO -0.00 -0.17 0.10 0.15 0.00 0.00 0.00 175.76 175.84 1bbu s LYS 124 N -1.63 0.09 0.00 0.00 3.01 0.12 -0.15 119.74 121.18 1bbu s LYS 124 Ca -0.14 0.20 0.00 0.00 -1.01 0.00 0.00 55.97 55.02 1bbu s LYS 124 Cb -0.09 -0.04 0.00 0.00 -1.01 0.00 0.00 37.83 36.69 1bbu s LYS 124 CO -0.02 -0.07 0.00 0.41 0.51 0.00 0.00 175.35 176.18 1bbu n GLY 125 N 3.47 0.93 3.79 -3.33 0.00 -0.68 -0.32 105.19 109.05 1bbu n GLY 125 Ca -0.18 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 1bbu n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bbu s LYS 126 N -2.00 4.13 0.45 1.61 -2.85 -1.14 -2.44 119.74 117.50 1bbu s LYS 126 Ca 0.00 1.44 -0.16 0.00 -1.00 0.00 0.00 55.97 56.25 1bbu s LYS 126 Cb 0.00 -2.44 -0.08 0.00 -2.06 0.00 0.00 37.83 33.25 1bbu s LYS 126 CO 0.00 -0.16 0.90 -0.51 0.10 0.00 0.00 175.35 175.68 1bbu s LEU 127 N -2.82 3.78 0.00 2.77 1.43 -1.12 -0.43 118.68 122.30 1bbu s LEU 127 Ca 0.60 1.47 -0.03 0.00 -1.03 0.00 0.00 54.13 55.13 1bbu s LEU 127 Cb -0.19 -4.36 0.01 0.00 0.03 0.00 0.00 46.19 41.67 1bbu s LEU 127 CO 0.24 -0.46 0.13 2.22 0.23 0.00 0.00 176.35 178.72 1bbu n PHE 128 N -1.20 -0.81 -4.20 0.29 -1.74 -0.68 -4.62 117.46 104.51 1bbu n PHE 128 Ca 0.05 -0.19 -0.19 0.00 -0.56 0.00 0.00 57.45 56.57 1bbu n PHE 128 Cb 0.54 0.10 -0.16 0.00 1.52 0.00 0.00 39.48 41.48 1bbu n PHE 128 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1bbu s LYS 129 N -2.01 0.70 1.01 3.97 1.02 -1.26 -1.38 119.74 121.79 1bbu s LYS 129 Ca 0.03 -0.16 -0.16 0.00 0.02 0.00 0.00 55.97 55.70 1bbu s LYS 129 Cb -0.00 -0.70 0.21 0.00 -0.52 0.00 0.00 37.83 36.82 1bbu s LYS 129 CO 0.01 0.01 1.23 0.95 -0.92 0.00 0.00 175.35 176.64 1bbu s THR 130 N 0.46 1.89 0.33 2.17 -4.23 -0.49 -4.88 115.64 110.89 1bbu s THR 130 Ca -0.06 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.53 1bbu s THR 130 Cb -0.10 -2.83 0.32 0.00 1.34 0.00 0.00 72.50 71.23 1bbu s THR 130 CO 0.00 0.00 1.79 0.07 -0.54 0.00 0.00 174.62 175.94 1bbu h LYS 131 N -1.85 0.68 0.00 3.99 -0.00 -2.02 -0.62 116.57 116.75 1bbu h LYS 131 Ca -0.45 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.16 1bbu h LYS 131 Cb 1.27 -0.15 0.00 0.00 -0.00 0.00 0.00 32.23 33.35 1bbu h LYS 131 CO 0.42 0.45 0.00 2.41 -0.00 0.00 0.00 179.45 182.73 1bbu n THR 132 N -4.71 0.69 -0.31 0.07 -1.04 -1.26 -4.86 114.28 102.86 1bbu n THR 132 Ca 0.23 0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.41 1bbu n THR 132 Cb 0.60 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 1bbu n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bbu n GLY 133 N 0.41 0.70 3.75 3.41 0.00 -0.24 -5.06 105.19 108.16 1bbu n GLY 133 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1bbu n GLY 133 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bbu s GLU 134 N -0.66 4.83 0.26 1.61 2.02 -1.26 -4.80 118.70 120.70 1bbu s GLU 134 Ca 0.00 1.47 -0.30 0.00 0.02 0.00 0.00 54.97 56.16 1bbu s GLU 134 Cb 0.00 -3.24 -0.09 0.00 0.10 0.00 0.00 34.13 30.90 1bbu s GLU 134 CO 0.00 0.50 1.05 -1.17 0.02 0.00 0.00 175.26 175.66 1bbu s LEU 135 N -1.25 4.58 0.21 1.80 2.96 -1.26 -1.40 118.68 124.32 1bbu s LEU 135 Ca 0.42 2.16 -0.09 0.00 -0.22 0.00 0.00 54.13 56.40 1bbu s LEU 135 Cb -0.25 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.80 1bbu s LEU 135 CO 0.31 -0.04 0.34 -0.55 -1.32 0.00 0.00 176.35 175.09 1bbu s SER 136 N -0.96 0.00 -0.26 3.68 0.15 -0.48 -3.84 113.70 112.00 1bbu s SER 136 Ca 0.43 -1.03 0.01 0.00 0.70 0.00 0.00 55.95 56.06 1bbu s SER 136 Cb -0.30 0.50 0.05 0.00 -1.71 0.00 0.00 66.02 64.55 1bbu s SER 136 CO 0.38 -1.00 -0.09 -0.63 1.20 0.00 0.00 173.24 173.10 1bbu s ILE 137 N -4.04 2.46 -0.81 6.45 1.01 -0.10 -1.69 121.20 124.48 1bbu s ILE 137 Ca 0.25 -1.39 -0.26 0.00 0.00 0.00 0.00 60.65 59.26 1bbu s ILE 137 Cb 0.02 -2.36 0.03 0.00 0.01 0.00 0.00 42.46 40.17 1bbu s ILE 137 CO 0.08 0.06 1.38 -2.28 0.00 0.00 0.00 174.94 174.18 1bbu s HIS 138 N 1.20 2.29 0.18 3.97 5.65 0.43 -0.33 115.29 128.67 1bbu s HIS 138 Ca -0.05 -0.17 -0.31 0.00 0.25 0.00 0.00 55.06 54.78 1bbu s HIS 138 Cb -0.18 -4.59 -0.10 0.00 -1.18 0.00 0.00 32.58 26.53 1bbu s HIS 138 CO -0.05 -2.05 1.50 0.00 -0.65 0.00 0.00 174.74 173.49 1bbu n THR 140 N 3.52 0.00 -3.78 0.00 -2.24 0.57 -4.39 114.28 107.96 1bbu n THR 140 Ca 0.11 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 1bbu n THR 140 Cb 0.40 0.16 -0.12 0.00 -2.10 0.00 0.00 70.33 68.67 1bbu n THR 140 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1bbu s GLU 141 N -3.05 0.24 -0.22 -0.78 2.12 -0.63 -4.29 118.70 112.10 1bbu s GLU 141 Ca -0.05 0.37 -0.16 0.00 0.36 0.00 0.00 54.97 55.49 1bbu s GLU 141 Cb 0.10 0.06 0.06 0.00 0.26 0.00 0.00 34.13 34.61 1bbu s GLU 141 CO 0.64 -0.07 0.56 -1.17 -0.54 0.00 0.00 175.26 174.68 1bbu s LEU 142 N 0.44 -0.36 0.11 2.70 2.96 -1.26 0.13 118.68 123.41 1bbu s LEU 142 Ca -0.03 1.18 -0.16 0.00 -0.22 0.00 0.00 54.13 54.91 1bbu s LEU 142 Cb -0.04 1.91 0.03 0.00 0.50 0.00 0.00 46.19 48.59 1bbu s LEU 142 CO -0.02 -0.21 0.39 0.00 -1.32 0.00 0.00 176.35 175.19 1bbu s ARG 143 N 0.95 1.04 -0.12 1.98 1.70 0.75 -4.98 118.95 120.26 1bbu s ARG 143 Ca -0.05 -0.69 -0.29 0.00 -0.47 0.00 0.00 55.73 54.22 1bbu s ARG 143 Cb -0.05 0.46 -0.01 0.00 -0.57 0.00 0.00 34.95 34.77 1bbu s ARG 143 CO -0.08 -0.40 1.12 -1.17 -1.08 0.00 0.00 175.30 173.69 1bbu s LEU 144 N -2.73 4.22 -0.21 -1.89 2.96 -1.26 -0.39 118.68 119.38 1bbu s LEU 144 Ca 0.02 1.62 -0.16 0.00 -0.22 0.00 0.00 54.13 55.39 1bbu s LEU 144 Cb 0.02 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 43.08 1bbu s LEU 144 CO -0.11 -0.58 -0.32 0.18 -1.32 0.00 0.00 176.35 174.19 1bbu n LEU 145 N 5.57 1.93 -4.04 -0.68 4.77 0.62 -4.80 117.00 120.38 1bbu n LEU 145 Ca 0.11 0.36 -0.26 0.00 -0.03 0.00 0.00 56.01 56.19 1bbu n LEU 145 Cb 0.47 -0.78 -0.17 0.00 -2.33 0.00 0.00 43.42 40.61 1bbu n LEU 145 CO 0.54 0.01 -0.48 -0.89 -1.33 0.00 0.00 177.39 175.23 1bbu s THR 146 N -2.72 1.28 -0.09 -5.08 2.01 -0.94 -4.09 115.64 106.00 1bbu s THR 146 Ca -0.31 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 60.84 1bbu s THR 146 Cb 0.07 -1.16 -0.02 0.00 0.01 0.00 0.00 72.50 71.41 1bbu s THR 146 CO 0.44 0.39 1.04 -0.75 -0.69 0.00 0.00 174.62 175.05 1bbu s LYS 147 N 0.72 4.42 -0.74 4.92 2.47 -1.26 -1.26 119.74 129.00 1bbu s LYS 147 Ca -0.13 1.44 -0.24 0.00 -1.56 0.00 0.00 55.97 55.48 1bbu s LYS 147 Cb -0.16 -3.54 0.06 0.00 -1.46 0.00 0.00 37.83 32.73 1bbu s LYS 147 CO 0.03 -0.33 1.12 0.00 0.16 0.00 0.00 175.35 176.33 1bbu s ALA 148 N 2.00 2.99 -0.39 3.13 0.00 -1.26 -4.86 121.76 123.36 1bbu s ALA 148 Ca 0.50 -1.82 0.19 0.00 0.00 0.00 0.00 51.96 50.83 1bbu s ALA 148 Cb -0.19 -4.06 0.96 0.00 0.00 0.00 0.00 23.12 19.82 1bbu s ALA 148 CO 0.19 -3.03 1.57 1.28 0.00 0.00 0.00 175.76 175.77 1bbu n LEU 149 N 8.22 0.49 -4.14 0.00 4.77 -1.26 -4.60 117.00 120.48 1bbu n LEU 149 Ca 0.04 0.70 -0.21 0.00 -0.03 0.00 0.00 56.01 56.51 1bbu n LEU 149 Cb 0.47 -0.73 -0.14 0.00 -2.33 0.00 0.00 43.42 40.70 1bbu n LEU 149 CO 0.65 -0.79 -0.47 -0.13 -1.33 0.00 0.00 177.39 175.32 1bbu s ARG 150 N -3.41 1.00 0.76 3.23 0.52 -1.26 -4.59 118.95 115.20 1bbu s ARG 150 Ca -0.01 -0.72 -0.11 0.00 -0.52 0.00 0.00 55.73 54.37 1bbu s ARG 150 Cb 0.06 -1.01 0.05 0.00 0.52 0.00 0.00 34.95 34.58 1bbu s ARG 150 CO 0.21 0.26 1.10 -2.14 0.02 0.00 0.00 175.30 174.75 1bbu s PRO 151 N -0.99 2.26 1.16 3.54 0.02 -1.26 -4.91 135.00 134.82 1bbu s PRO 151 Ca 0.03 1.26 -0.17 0.00 0.02 0.00 0.00 61.00 62.13 1bbu s PRO 151 Cb -0.07 -1.89 0.18 0.00 0.02 0.00 0.00 34.50 32.74 1bbu s PRO 151 CO 0.01 -1.65 0.33 1.28 -0.33 0.00 0.00 177.00 176.63 1bbu n LEU 152 N -3.35 -1.99 -4.74 -5.54 4.77 -1.26 -4.91 117.00 99.98 1bbu n LEU 152 Ca 0.10 -0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.42 1bbu n LEU 152 Cb 0.53 -1.00 -0.04 0.00 -2.33 0.00 0.00 43.42 40.58 1bbu n LEU 152 CO 0.52 -3.29 0.84 -2.16 -1.33 0.00 0.00 177.39 171.97 1bbu s PRO 153 N -3.78 4.54 0.00 3.23 0.04 -1.26 -5.14 135.00 132.63 1bbu s PRO 153 Ca 0.57 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1bbu s PRO 153 Cb -0.14 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1bbu s PRO 153 CO 0.61 -0.00 0.00 -0.25 0.04 0.00 0.00 177.00 177.40 1bbu n ASP 154 N 2.31 0.00 -0.32 6.66 9.92 -1.26 -5.13 116.55 128.73 1bbu n ASP 154 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 1bbu n ASP 154 Cb 0.45 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 1bbu n ASP 154 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1bbu n ASP 161 N -0.39 0.00 -0.31 -2.24 5.75 -1.26 -5.17 116.55 112.93 1bbu n ASP 161 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.91 1bbu n ASP 161 Cb 0.00 0.00 0.60 0.00 -1.03 0.00 0.00 41.12 40.69 1bbu n ASP 161 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bbu n GLN 162 N 0.00 1.42 0.00 0.11 1.13 -1.26 -3.52 117.38 115.26 1bbu n GLN 162 Ca 0.00 -0.62 0.12 0.00 -1.94 0.00 0.00 57.00 54.56 1bbu n GLN 162 Cb 0.00 -1.44 0.58 0.00 0.11 0.00 0.00 30.24 29.50 1bbu n GLN 162 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1bbu n GLU 163 N -0.22 0.25 -0.25 -1.09 0.28 -1.26 -2.84 120.64 115.51 1bbu n GLU 163 Ca 0.19 0.07 -0.08 0.00 -0.16 0.00 0.00 57.16 57.18 1bbu n GLU 163 Cb 0.25 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.66 1bbu n GLU 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bbu h ALA 164 N 3.06 0.93 0.00 -1.84 0.00 -2.00 -1.88 119.26 117.53 1bbu h ALA 164 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1bbu h ALA 164 Cb 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1bbu h ALA 164 CO 0.00 0.67 0.10 0.00 0.00 0.00 0.00 179.25 180.02 1bbu h ARG 165 N 1.06 0.00 0.00 0.00 -0.00 -1.82 -1.98 114.38 111.65 1bbu h ARG 165 Ca 0.21 0.00 -0.17 0.00 -0.50 0.00 0.00 59.98 59.53 1bbu h ARG 165 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.35 1bbu h ARG 165 CO 0.01 0.00 -1.98 0.66 0.00 0.00 0.00 179.97 178.66 1bbu n TYR 166 N -2.79 0.00 0.16 3.04 4.01 -0.78 -3.58 117.16 117.22 1bbu n TYR 166 Ca -0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.76 1bbu n TYR 166 Cb 0.15 -0.63 0.06 0.00 -0.31 0.00 0.00 39.34 38.62 1bbu n TYR 166 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bbu h ARG 167 N 0.00 0.00 -1.79 -0.72 3.08 -0.75 -3.39 114.38 110.81 1bbu h ARG 167 Ca -0.25 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.30 1bbu h ARG 167 Cb 1.48 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 31.16 1bbu h ARG 167 CO 0.01 0.41 -1.07 1.04 -1.07 0.00 0.00 179.97 179.29 1bbu n GLN 168 N -3.21 0.82 0.27 0.04 6.02 -0.80 -4.98 117.38 115.53 1bbu n GLN 168 Ca 0.02 -3.12 0.16 0.00 -0.01 0.00 0.00 57.00 54.05 1bbu n GLN 168 Cb 0.69 -1.39 0.75 0.00 1.02 0.00 0.00 30.24 31.31 1bbu n GLN 168 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1bbu h ARG 169 N 3.62 0.00 -0.39 -1.09 9.65 -1.75 0.12 114.38 124.53 1bbu h ARG 169 Ca 0.06 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.79 1bbu h ARG 169 Cb 0.93 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.50 1bbu h ARG 169 CO 0.45 0.00 -0.33 0.10 2.80 0.00 0.00 179.97 182.99 1bbu h TYR 170 N 0.00 1.09 0.47 2.20 -0.00 -1.93 0.27 116.97 119.07 1bbu h TYR 170 Ca 0.05 -0.31 -0.02 0.00 -0.00 0.00 0.00 58.73 58.45 1bbu h TYR 170 Cb 0.87 -0.23 -0.01 0.00 -0.00 0.00 0.00 36.73 37.36 1bbu h TYR 170 CO 0.00 1.13 -0.29 -0.07 -0.00 0.00 0.00 178.16 178.93 1bbu h LEU 171 N 0.73 -0.73 -0.72 0.10 3.38 -1.14 0.18 115.31 117.10 1bbu h LEU 171 Ca 0.07 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.20 1bbu h LEU 171 Cb 0.92 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 1bbu h LEU 171 CO 0.09 -0.46 0.33 -0.78 0.09 0.00 0.00 178.44 177.70 1bbu h ASP 172 N -0.73 0.39 -0.47 -0.43 3.58 -1.42 -1.49 116.42 115.84 1bbu h ASP 172 Ca -0.05 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 1bbu h ASP 172 Cb 0.60 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 1bbu h ASP 172 CO 0.05 0.20 0.11 -0.07 -2.88 0.00 0.00 179.24 176.65 1bbu h LEU 173 N 0.53 0.78 -0.46 2.28 3.38 0.07 0.24 115.31 122.13 1bbu h LEU 173 Ca 0.37 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1bbu h LEU 173 Cb 0.47 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1bbu h LEU 173 CO -0.32 0.78 0.15 0.40 0.09 0.00 0.00 178.44 179.53 1bbu h ILE 174 N 0.79 1.22 0.13 1.22 2.04 0.01 -3.35 117.51 119.58 1bbu h ILE 174 Ca 0.17 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1bbu h ILE 174 Cb 0.32 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1bbu h ILE 174 CO 0.00 0.27 -0.06 0.28 0.00 0.00 0.00 178.15 178.64 1bbu h SER 175 N 0.61 -0.15 -3.30 1.72 0.02 -1.04 -3.46 113.55 107.95 1bbu h SER 175 Ca 0.15 -0.15 -0.63 0.00 -0.84 0.00 0.00 61.79 60.33 1bbu h SER 175 Cb 0.26 0.04 -0.13 0.00 0.14 0.00 0.00 62.40 62.70 1bbu h SER 175 CO -0.01 0.39 0.42 0.21 -1.14 0.00 0.00 176.83 176.71 1bbu s ASN 176 N -5.44 6.33 0.40 3.07 3.04 0.81 -4.93 114.94 118.23 1bbu s ASN 176 Ca -0.06 -0.41 0.14 0.00 0.04 0.00 0.00 52.86 52.57 1bbu s ASN 176 Cb -0.00 -2.40 0.99 0.00 -1.54 0.00 0.00 41.25 38.30 1bbu s ASN 176 CO 0.20 -1.09 1.89 0.44 -3.04 0.00 0.00 177.10 175.49 1bbu h ASP 177 N 9.18 0.47 -0.51 -4.21 5.19 -1.86 -2.64 116.42 122.04 1bbu h ASP 177 Ca -0.26 0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.08 1bbu h ASP 177 Cb 1.08 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 1bbu h ASP 177 CO 1.04 0.23 -0.08 -0.08 -3.12 0.00 0.00 179.24 177.23 1bbu h GLU 178 N 0.50 0.96 0.10 3.56 4.81 -1.96 -1.79 114.58 120.75 1bbu h GLU 178 Ca 0.41 -0.35 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1bbu h GLU 178 Cb 0.88 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 1bbu h GLU 178 CO -0.16 1.01 -0.23 0.77 -0.73 0.00 0.00 179.01 179.67 1bbu h SER 179 N 0.82 -0.66 0.01 1.04 0.02 -1.83 0.35 113.55 113.29 1bbu h SER 179 Ca 0.13 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1bbu h SER 179 Cb 0.64 0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 1bbu h SER 179 CO 0.04 -0.32 -0.01 0.03 -1.14 0.00 0.00 176.83 175.44 1bbu h ARG 180 N -0.42 0.00 -0.01 3.45 3.08 -1.51 -0.43 114.38 118.54 1bbu h ARG 180 Ca 0.03 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 1bbu h ARG 180 Cb 0.45 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.51 1bbu h ARG 180 CO -0.14 0.01 -0.41 -0.97 -1.07 0.00 0.00 179.97 177.38 1bbu h ASN 181 N 0.00 0.38 -0.20 7.04 -1.24 -0.42 -2.89 115.58 118.24 1bbu h ASN 181 Ca -0.00 -0.75 0.05 0.00 0.71 0.00 0.00 56.30 56.31 1bbu h ASN 181 Cb 0.01 -0.12 -0.07 0.00 0.73 0.00 0.00 38.32 38.88 1bbu h ASN 181 CO 0.00 1.08 -0.36 0.74 -1.29 0.00 0.00 177.43 177.61 1bbu h THR 182 N -0.29 0.22 -0.44 -3.57 2.02 0.13 -1.11 112.91 109.87 1bbu h THR 182 Ca -0.05 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 1bbu h THR 182 Cb 1.14 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1bbu h THR 182 CO 0.08 0.00 -0.17 -0.26 0.37 0.00 0.00 175.52 175.55 1bbu h PHE 183 N -0.39 0.95 -0.94 3.16 0.04 -1.45 -1.11 116.94 117.20 1bbu h PHE 183 Ca 0.11 -0.20 0.08 0.00 2.80 0.00 0.00 57.97 60.76 1bbu h PHE 183 Cb 0.57 -0.23 -0.07 0.00 2.20 0.00 0.00 35.95 38.42 1bbu h PHE 183 CO -0.47 0.95 0.59 0.87 -0.60 0.00 0.00 178.31 179.65 1bbu h LYS 184 N 0.75 1.00 -0.08 1.51 6.56 -1.22 -0.90 116.57 124.19 1bbu h LYS 184 Ca 0.11 -0.06 -0.13 0.00 -1.06 0.00 0.00 60.65 59.51 1bbu h LYS 184 Cb 0.69 -0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 32.11 1bbu h LYS 184 CO 0.05 0.66 -0.53 0.28 -2.06 0.00 0.00 179.45 177.85 1bbu h VAL 185 N 1.03 1.36 -0.22 0.50 2.07 -0.71 -2.80 116.25 117.49 1bbu h VAL 185 Ca 0.43 -1.82 0.02 0.00 0.82 0.00 0.00 66.70 66.15 1bbu h VAL 185 Cb 0.26 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1bbu h VAL 185 CO -0.20 0.54 0.07 -0.09 0.02 0.00 0.00 177.57 177.91 1bbu h ARG 186 N 0.18 0.17 -0.83 1.57 2.43 0.09 -0.36 114.38 117.63 1bbu h ARG 186 Ca 0.00 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1bbu h ARG 186 Cb 1.00 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.45 1bbu h ARG 186 CO 0.08 0.11 0.49 0.77 -1.51 0.00 0.00 179.97 179.92 1bbu h SER 187 N 0.18 0.74 -0.09 -3.80 0.02 -1.32 -0.27 113.55 109.01 1bbu h SER 187 Ca 0.09 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1bbu h SER 187 Cb 0.06 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1bbu h SER 187 CO -0.10 0.45 -0.04 1.56 -1.14 0.00 0.00 176.83 177.57 1bbu h GLN 188 N 0.87 0.30 0.14 3.45 4.20 -1.04 -0.52 115.11 122.50 1bbu h GLN 188 Ca 0.38 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 1bbu h GLN 188 Cb 0.26 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1bbu h GLN 188 CO -0.21 0.36 -0.07 0.82 -0.67 0.00 0.00 178.83 179.07 1bbu h ILE 189 N 0.30 1.03 0.39 2.54 2.04 0.57 -1.36 117.51 123.03 1bbu h ILE 189 Ca 0.07 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 1bbu h ILE 189 Cb 0.26 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1bbu h ILE 189 CO 0.01 0.22 -0.39 -0.07 0.00 0.00 0.00 178.15 177.91 1bbu h LEU 190 N -0.66 -1.07 -0.92 1.44 3.38 -1.17 0.35 115.31 116.66 1bbu h LEU 190 Ca -0.02 0.09 0.25 0.00 0.09 0.00 0.00 57.88 58.29 1bbu h LEU 190 Cb 0.50 0.36 -0.14 0.00 0.09 0.00 0.00 40.66 41.47 1bbu h LEU 190 CO 0.03 -0.54 0.39 -1.28 0.09 0.00 0.00 178.44 177.13 1bbu h SER 191 N -0.81 0.27 0.51 -0.43 0.87 -1.17 0.12 113.55 112.92 1bbu h SER 191 Ca -0.03 0.18 -0.16 0.00 -1.23 0.00 0.00 61.79 60.54 1bbu h SER 191 Cb 0.72 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 1bbu h SER 191 CO -0.06 -0.08 -0.71 1.23 -0.53 0.00 0.00 176.83 176.68 1bbu h GLY 192 N 0.32 0.18 0.80 5.77 0.00 -0.06 -1.58 103.07 108.51 1bbu h GLY 192 Ca 0.60 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1bbu h GLY 192 CO -0.59 0.23 -0.13 -2.22 0.00 0.00 0.00 176.54 173.83 1bbu h ILE 193 N 0.11 0.78 -0.30 2.60 2.04 0.22 -1.53 117.51 121.42 1bbu h ILE 193 Ca -0.02 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.50 1bbu h ILE 193 Cb 1.25 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 38.28 1bbu h ILE 193 CO 0.10 0.08 -0.01 0.03 0.00 0.00 0.00 178.15 178.36 1bbu h ARG 194 N -0.57 0.07 -0.72 2.37 3.08 -1.13 0.50 114.38 117.98 1bbu h ARG 194 Ca -0.04 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.12 1bbu h ARG 194 Cb 0.42 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.37 1bbu h ARG 194 CO 0.06 0.05 0.34 0.37 -1.07 0.00 0.00 179.97 179.72 1bbu h GLN 195 N 0.08 0.53 0.11 0.04 5.75 -1.28 -1.34 115.11 119.00 1bbu h GLN 195 Ca 0.14 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1bbu h GLN 195 Cb 0.20 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.63 1bbu h GLN 195 CO -0.25 0.35 -0.05 0.35 -2.65 0.00 0.00 178.83 176.58 1bbu h PHE 196 N 0.55 -0.14 0.57 3.99 3.57 -0.16 -2.54 116.94 122.78 1bbu h PHE 196 Ca 0.37 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 1bbu h PHE 196 Cb 0.45 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1bbu h PHE 196 CO -0.13 0.05 -0.31 0.52 -2.23 0.00 0.00 178.31 176.21 1bbu h MET 197 N -0.30 -0.79 -0.81 1.11 2.86 -0.43 -2.67 114.93 113.89 1bbu h MET 197 Ca -0.02 0.05 0.18 0.00 -2.06 0.00 0.00 59.70 57.86 1bbu h MET 197 Cb 0.25 0.18 -0.05 0.00 0.06 0.00 0.00 31.60 32.04 1bbu h MET 197 CO 0.03 -0.53 0.55 0.28 1.06 0.00 0.00 176.91 178.30 1bbu h VAL 198 N -0.82 0.72 0.00 -2.22 2.07 -1.32 0.33 116.25 115.01 1bbu h VAL 198 Ca -0.07 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1bbu h VAL 198 Cb 0.65 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1bbu h VAL 198 CO 0.10 0.06 0.00 0.78 0.02 0.00 0.00 177.57 178.53 1bbu h ASN 199 N 0.34 0.00 -0.29 0.57 4.21 -1.09 -0.17 115.58 119.15 1bbu h ASN 199 Ca 0.41 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.84 1bbu h ASN 199 Cb 1.08 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.23 1bbu h ASN 199 CO -0.12 0.00 -0.02 0.54 -1.29 0.00 0.00 177.43 176.53 1bbu n ARG 200 N -2.69 2.36 -1.53 0.81 1.74 0.11 -4.97 116.66 112.50 1bbu n ARG 200 Ca -0.01 -2.96 -0.13 0.00 -0.77 0.00 0.00 57.85 53.98 1bbu n ARG 200 Cb 0.15 -1.81 -0.05 0.00 -1.02 0.00 0.00 32.46 29.72 1bbu n ARG 200 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bbu n GLY 201 N -0.83 1.12 3.80 -0.13 0.00 -0.07 -5.00 105.19 104.07 1bbu n GLY 201 Ca 0.26 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1bbu n GLY 201 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bbu s PHE 202 N -2.51 3.76 -0.10 1.61 0.40 -0.97 -4.79 117.98 115.37 1bbu s PHE 202 Ca 0.00 1.54 0.00 0.00 -0.60 0.00 0.00 56.93 57.87 1bbu s PHE 202 Cb 0.00 -2.72 -0.02 0.00 0.51 0.00 0.00 43.02 40.79 1bbu s PHE 202 CO 0.00 0.39 -0.10 1.41 0.70 0.00 0.00 175.22 177.62 1bbu s MET 203 N -1.65 3.10 -0.01 0.44 1.75 -0.09 -4.03 119.30 118.81 1bbu s MET 203 Ca 0.41 -0.62 -0.22 0.00 -1.25 0.00 0.00 55.69 54.01 1bbu s MET 203 Cb -0.19 -2.63 -0.05 0.00 2.84 0.00 0.00 34.83 34.80 1bbu s MET 203 CO 0.23 0.42 0.66 -2.00 -0.65 0.00 0.00 175.02 173.68 1bbu s GLU 204 N -0.17 4.39 0.34 4.11 2.12 -1.26 -1.65 118.70 126.58 1bbu s GLU 204 Ca 0.01 0.84 0.05 0.00 0.36 0.00 0.00 54.97 56.23 1bbu s GLU 204 Cb -0.13 -3.38 -0.07 0.00 0.26 0.00 0.00 34.13 30.81 1bbu s GLU 204 CO 0.03 0.26 0.03 0.14 -0.54 0.00 0.00 175.26 175.18 1bbu s VAL 205 N 0.12 1.48 -0.19 3.70 -7.23 -0.64 -4.93 120.40 112.71 1bbu s VAL 205 Ca 0.34 -2.02 -0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1bbu s VAL 205 Cb -0.19 -2.80 0.05 0.00 0.56 0.00 0.00 36.38 34.00 1bbu s VAL 205 CO 0.19 -0.05 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.27 1bbu s GLU 206 N -3.82 1.51 0.44 4.82 2.02 -1.26 -4.59 118.70 117.82 1bbu s GLU 206 Ca 0.35 -0.69 0.08 0.00 0.02 0.00 0.00 54.97 54.73 1bbu s GLU 206 Cb 0.08 -2.25 0.01 0.00 0.10 0.00 0.00 34.13 32.07 1bbu s GLU 206 CO 0.16 -0.50 0.51 0.95 0.02 0.00 0.00 175.26 176.40 1bbu s THR 207 N 1.55 2.74 0.76 3.63 -4.23 -1.26 -5.09 115.64 113.73 1bbu s THR 207 Ca -0.02 -1.14 -0.15 0.00 -1.18 0.00 0.00 61.69 59.20 1bbu s THR 207 Cb -0.17 -2.89 0.04 0.00 1.34 0.00 0.00 72.50 70.83 1bbu s THR 207 CO -0.07 0.00 1.11 -2.65 -0.54 0.00 0.00 174.62 172.47 1bbu n PRO 208 N -1.77 0.44 -0.10 3.99 -0.02 -1.26 -4.96 135.00 131.31 1bbu n PRO 208 Ca 0.07 0.21 -0.14 0.00 -2.02 0.00 0.00 63.50 61.63 1bbu n PRO 208 Cb 0.60 -2.36 -0.14 0.00 -0.02 0.00 0.00 33.50 31.58 1bbu n PRO 208 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1bbu n MET 209 N -2.51 0.67 -3.61 -0.52 2.81 -1.26 -4.84 117.12 107.86 1bbu n MET 209 Ca 0.14 0.09 -0.36 0.00 -1.81 0.00 0.00 57.70 55.75 1bbu n MET 209 Cb 0.50 -1.55 -0.06 0.00 -0.71 0.00 0.00 33.22 31.40 1bbu n MET 209 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1bbu s MET 210 N -2.51 3.74 -0.04 0.03 -1.94 -1.26 0.43 119.30 117.75 1bbu s MET 210 Ca -0.20 0.17 -0.10 0.00 -1.71 0.00 0.00 55.69 53.85 1bbu s MET 210 Cb 0.07 -3.09 0.02 0.00 2.01 0.00 0.00 34.83 33.84 1bbu s MET 210 CO 0.74 0.63 0.23 -0.65 -0.01 0.00 0.00 175.02 175.96 1bbu s GLN 211 N -1.59 0.47 0.15 2.03 -0.21 -0.21 -4.90 119.66 115.40 1bbu s GLN 211 Ca 0.28 -0.05 -0.02 0.00 0.02 0.00 0.00 55.36 55.60 1bbu s GLN 211 Cb -0.14 0.21 -0.02 0.00 1.00 0.00 0.00 33.01 34.05 1bbu s GLN 211 CO 0.15 -0.10 1.37 0.28 -2.12 0.00 0.00 175.29 174.86 1bbu h VAL 212 N 4.33 1.42 -3.31 1.09 2.07 -1.88 -0.18 116.25 119.80 1bbu h VAL 212 Ca -0.29 -2.39 -0.54 0.00 0.82 0.00 0.00 66.70 64.30 1bbu h VAL 212 Cb 1.19 2.33 -0.35 0.00 -1.52 0.00 0.00 31.29 32.94 1bbu h VAL 212 CO 0.38 0.71 -0.82 -0.63 0.02 0.00 0.00 177.57 177.23 1bbu s ILE 213 N -3.36 1.24 0.26 4.57 1.01 -1.26 -4.76 121.20 118.90 1bbu s ILE 213 Ca -0.05 -0.49 -0.18 0.00 0.00 0.00 0.00 60.65 59.93 1bbu s ILE 213 Cb 0.10 -1.16 -0.09 0.00 0.01 0.00 0.00 42.46 41.32 1bbu s ILE 213 CO 0.85 0.39 0.73 -2.16 0.00 0.00 0.00 174.94 174.75 1bbu s PRO 214 N 1.03 4.15 0.00 2.79 0.04 -1.26 -5.03 135.00 136.71 1bbu s PRO 214 Ca -0.07 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1bbu s PRO 214 Cb -0.15 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1bbu s PRO 214 CO -0.01 0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.74 1bbu n GLY 215 N 0.29 -1.32 0.00 0.56 0.00 -1.26 -4.37 105.19 99.09 1bbu n GLY 215 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1bbu n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bbu n GLY 216 N -0.11 1.02 3.70 -0.02 0.00 -1.26 -3.53 105.19 104.98 1bbu n GLY 216 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1bbu n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bbu s ALA 217 N -2.00 -2.40 -0.32 4.61 0.00 -1.26 -4.72 121.76 115.66 1bbu s ALA 217 Ca 0.00 0.61 -0.06 0.00 0.00 0.00 0.00 51.96 52.52 1bbu s ALA 217 Cb 0.00 0.46 0.03 0.00 0.00 0.00 0.00 23.12 23.61 1bbu s ALA 217 CO 0.00 -1.08 0.08 0.00 0.00 0.00 0.00 175.76 174.76 1bbu s ALA 218 N -2.20 3.01 -0.22 0.00 0.00 -1.26 -4.79 121.76 116.30 1bbu s ALA 218 Ca 0.18 -1.68 -0.28 0.00 0.00 0.00 0.00 51.96 50.18 1bbu s ALA 218 Cb 0.04 -2.19 0.15 0.00 0.00 0.00 0.00 23.12 21.12 1bbu s ALA 218 CO -0.04 -1.23 1.12 0.00 0.00 0.00 0.00 175.76 175.62 1bbu s ALA 219 N 1.40 -2.01 0.07 0.00 0.00 -1.15 -4.97 121.76 115.12 1bbu s ALA 219 Ca -0.01 1.71 -0.31 0.00 0.00 0.00 0.00 51.96 53.36 1bbu s ALA 219 Cb -0.19 -1.12 -0.07 0.00 0.00 0.00 0.00 23.12 21.74 1bbu s ALA 219 CO 0.02 -0.26 1.31 0.50 0.00 0.00 0.00 175.76 177.33 1bbu s ARG 220 N -0.74 4.36 0.43 0.00 3.52 -1.24 -4.77 118.95 120.52 1bbu s ARG 220 Ca 0.02 1.93 0.06 0.00 -0.13 0.00 0.00 55.73 57.61 1bbu s ARG 220 Cb -0.02 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 30.04 1bbu s ARG 220 CO -0.03 -0.39 0.60 -1.25 -0.81 0.00 0.00 175.30 173.42 1bbu s PRO 221 N 1.29 2.84 -0.15 5.12 0.04 -1.26 -0.54 135.00 142.34 1bbu s PRO 221 Ca 0.62 -1.05 -0.18 0.00 0.04 0.00 0.00 61.00 60.42 1bbu s PRO 221 Cb -0.33 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 1bbu s PRO 221 CO 0.29 -0.30 0.49 -0.06 0.04 0.00 0.00 177.00 177.46 1bbu s PHE 222 N -2.42 3.46 -0.07 0.56 0.08 -1.26 -4.61 117.98 113.72 1bbu s PHE 222 Ca 0.53 0.85 -0.06 0.00 0.12 0.00 0.00 56.93 58.37 1bbu s PHE 222 Cb -0.10 -2.60 -0.04 0.00 -0.57 0.00 0.00 43.02 39.71 1bbu s PHE 222 CO 0.34 0.06 0.17 0.42 -0.10 0.00 0.00 175.22 176.12 1bbu s ILE 223 N 1.02 5.45 0.14 0.64 1.01 -1.26 -1.39 121.20 126.80 1bbu s ILE 223 Ca 0.25 0.11 -0.00 0.00 0.00 0.00 0.00 60.65 61.02 1bbu s ILE 223 Cb -0.15 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1bbu s ILE 223 CO 0.10 0.50 0.03 0.28 0.00 0.00 0.00 174.94 175.86 1bbu s THR 224 N -1.15 0.28 -0.08 2.92 -1.32 -0.89 -4.95 115.64 110.45 1bbu s THR 224 Ca 0.20 -1.92 0.03 0.00 -1.21 0.00 0.00 61.69 58.79 1bbu s THR 224 Cb -0.12 -2.03 0.01 0.00 -1.51 0.00 0.00 72.50 68.85 1bbu s THR 224 CO 0.10 -0.51 -0.15 -2.28 -2.21 0.00 0.00 174.62 169.57 1bbu s HIS 225 N -3.93 1.73 -0.52 9.09 2.46 -1.26 -0.31 115.29 122.55 1bbu s HIS 225 Ca 0.23 -0.68 -0.29 0.00 0.47 0.00 0.00 55.06 54.79 1bbu s HIS 225 Cb 0.07 -1.24 0.03 0.00 -0.13 0.00 0.00 32.58 31.31 1bbu s HIS 225 CO 0.01 -0.33 1.17 -1.58 -2.47 0.00 0.00 174.74 171.54 1bbu s HIS 226 N 0.65 2.72 0.12 3.88 2.46 0.04 -4.92 115.29 120.24 1bbu s HIS 226 Ca -0.14 0.59 -0.33 0.00 0.47 0.00 0.00 55.06 55.64 1bbu s HIS 226 Cb -0.16 -4.48 -0.12 0.00 -0.13 0.00 0.00 32.58 27.70 1bbu s HIS 226 CO 0.04 -1.42 1.55 -2.95 -2.47 0.00 0.00 174.74 169.49 1bbu h ASN 227 N 9.39 -1.73 0.04 9.88 7.08 -1.98 -2.63 115.58 135.63 1bbu h ASN 227 Ca -0.24 0.21 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 1bbu h ASN 227 Cb 1.06 0.69 -0.02 0.00 -2.08 0.00 0.00 38.32 37.97 1bbu h ASN 227 CO 1.15 -0.46 -0.17 0.00 -2.08 0.00 0.00 177.43 175.87 1bbu h ALA 228 N -0.19 -0.69 0.00 4.14 0.00 -1.97 -2.60 119.26 117.95 1bbu h ALA 228 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1bbu h ALA 228 Cb 0.66 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1bbu h ALA 228 CO -0.48 -0.74 0.00 1.28 0.00 0.00 0.00 179.25 179.32 1bbu n LEU 229 N -3.42 0.00 -1.84 0.00 4.77 -1.21 -4.80 117.00 110.50 1bbu n LEU 229 Ca -0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1bbu n LEU 229 Cb 0.13 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1bbu n LEU 229 CO 0.05 0.00 -0.14 -0.67 -1.33 0.00 0.00 177.39 175.30 1bbu n ASP 230 N -0.60 -3.59 -4.31 -1.43 -0.08 -0.98 -4.90 116.55 100.66 1bbu n ASP 230 Ca 0.02 0.26 -0.32 0.00 -1.51 0.00 0.00 54.79 53.23 1bbu n ASP 230 Cb 0.01 -3.22 -0.16 0.00 2.34 0.00 0.00 41.12 40.09 1bbu n ASP 230 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1bbu s LEU 231 N -4.53 2.39 0.28 -2.67 2.96 -1.18 -4.98 118.68 110.95 1bbu s LEU 231 Ca 0.00 -0.43 -0.29 0.00 -0.22 0.00 0.00 54.13 53.18 1bbu s LEU 231 Cb 0.00 -1.50 -0.10 0.00 0.50 0.00 0.00 46.19 45.10 1bbu s LEU 231 CO 0.00 0.19 1.21 -1.81 -1.32 0.00 0.00 176.35 174.62 1bbu s ASP 232 N 0.21 7.02 0.48 3.68 1.01 -1.26 -0.78 116.67 127.03 1bbu s ASP 232 Ca -0.12 2.44 0.02 0.00 0.71 0.00 0.00 52.55 55.60 1bbu s ASP 232 Cb -0.16 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.13 1bbu s ASP 232 CO 0.06 -0.36 0.06 -0.04 0.21 0.00 0.00 175.17 175.11 1bbu s MET 233 N -1.29 2.13 -0.00 8.23 -1.94 0.58 -4.83 119.30 122.18 1bbu s MET 233 Ca 0.48 -2.36 -0.02 0.00 -1.71 0.00 0.00 55.69 52.09 1bbu s MET 233 Cb -0.36 -1.11 -0.00 0.00 2.01 0.00 0.00 34.83 35.37 1bbu s MET 233 CO 0.45 -0.46 0.03 0.71 -0.01 0.00 0.00 175.02 175.73 1bbu s TYR 234 N -3.01 0.07 0.21 -0.03 1.51 -0.08 -2.10 117.35 113.92 1bbu s TYR 234 Ca 0.10 -0.14 -0.30 0.00 -1.01 0.00 0.00 57.07 55.72 1bbu s TYR 234 Cb 0.01 -0.06 -0.08 0.00 -0.11 0.00 0.00 41.96 41.71 1bbu s TYR 234 CO 0.07 -0.11 1.09 -0.51 -1.11 0.00 0.00 175.55 174.98 1bbu s LEU 235 N -0.66 4.52 0.09 -1.29 1.43 -0.49 -1.04 118.68 121.23 1bbu s LEU 235 Ca -0.07 2.14 -0.31 0.00 -1.03 0.00 0.00 54.13 54.86 1bbu s LEU 235 Cb -0.05 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.48 1bbu s LEU 235 CO -0.00 -0.18 1.54 0.00 0.23 0.00 0.00 176.35 177.94 1bbu s ARG 236 N -0.75 4.24 0.39 1.70 1.70 0.17 -4.52 118.95 121.87 1bbu s ARG 236 Ca 0.47 2.23 0.21 0.00 -0.47 0.00 0.00 55.73 58.17 1bbu s ARG 236 Cb -0.30 -3.43 0.37 0.00 -0.57 0.00 0.00 34.95 31.03 1bbu s ARG 236 CO 0.37 -0.62 1.60 -0.84 -1.08 0.00 0.00 175.30 174.72 1bbu h ILE 237 N 4.54 0.40 -1.92 4.99 3.07 -1.81 -0.62 117.51 126.15 1bbu h ILE 237 Ca -0.42 -1.45 0.11 0.00 1.55 0.00 0.00 64.86 64.65 1bbu h ILE 237 Cb 1.20 2.10 -0.19 0.00 -0.27 0.00 0.00 36.82 39.67 1bbu h ILE 237 CO 0.91 0.22 0.55 0.00 -1.05 0.00 0.00 178.15 178.78 1bbu s ALA 238 N -3.20 -1.89 -2.55 0.16 0.00 -1.23 -4.51 121.76 108.54 1bbu s ALA 238 Ca 0.05 1.30 0.23 0.00 0.00 0.00 0.00 51.96 53.53 1bbu s ALA 238 Cb 0.07 -0.06 0.44 0.00 0.00 0.00 0.00 23.12 23.56 1bbu s ALA 238 CO 0.69 -0.54 1.40 -0.35 0.00 0.00 0.00 175.76 176.97 1bbu n PRO 239 N 0.14 2.38 -0.39 0.00 -0.04 -1.26 -4.60 135.00 131.23 1bbu n PRO 239 Ca -0.08 -2.07 -0.10 0.00 -0.04 0.00 0.00 63.50 61.21 1bbu n PRO 239 Cb 0.60 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.48 1bbu n PRO 239 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1bbu h GLU 240 N 4.23 -0.04 -0.61 0.54 4.81 -1.85 -1.59 114.58 120.08 1bbu h GLU 240 Ca 0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1bbu h GLU 240 Cb 0.92 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 1bbu h GLU 240 CO 0.00 -0.03 0.41 -0.07 -0.73 0.00 0.00 179.01 178.59 1bbu h LEU 241 N -0.04 0.50 -0.27 1.64 3.38 -1.86 -1.58 115.31 117.07 1bbu h LEU 241 Ca 0.17 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.94 1bbu h LEU 241 Cb 0.45 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1bbu h LEU 241 CO -0.91 0.32 -0.82 1.88 0.09 0.00 0.00 178.44 179.00 1bbu h TYR 242 N 0.57 0.69 -0.10 1.13 -1.99 -1.68 -2.61 116.97 112.97 1bbu h TYR 242 Ca 0.27 -0.33 -0.09 0.00 2.00 0.00 0.00 58.73 60.58 1bbu h TYR 242 Cb 0.32 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 1bbu h TYR 242 CO -0.00 1.12 -0.33 -0.07 -0.00 0.00 0.00 178.16 178.88 1bbu h LEU 243 N 0.32 0.19 -0.45 3.88 3.38 -0.87 -2.50 115.31 119.26 1bbu h LEU 243 Ca -0.05 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.68 1bbu h LEU 243 Cb 1.42 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1bbu h LEU 243 CO 0.15 0.51 -0.72 0.11 0.09 0.00 0.00 178.44 178.58 1bbu h LYS 244 N 0.17 0.31 -0.90 1.13 1.57 -1.24 -2.75 116.57 114.86 1bbu h LYS 244 Ca 0.02 -0.26 0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1bbu h LYS 244 Cb 0.67 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.98 1bbu h LYS 244 CO 0.05 0.91 0.59 0.00 -0.57 0.00 0.00 179.45 180.43 1bbu h ARG 245 N 0.21 1.05 0.00 3.15 3.08 -1.17 -0.13 114.38 120.57 1bbu h ARG 245 Ca -0.03 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1bbu h ARG 245 Cb 1.29 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1bbu h ARG 245 CO 0.12 0.69 -0.25 -0.07 -1.07 0.00 0.00 179.97 179.39 1bbu h LEU 246 N 1.08 0.00 -0.17 3.04 3.38 -1.16 0.10 115.31 121.57 1bbu h LEU 246 Ca 0.38 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.12 1bbu h LEU 246 Cb 0.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.87 1bbu h LEU 246 CO -0.13 0.25 -0.81 0.58 0.09 0.00 0.00 178.44 178.41 1bbu h VAL 247 N 0.00 1.29 -0.24 1.22 2.07 -0.92 0.79 116.25 120.46 1bbu h VAL 247 Ca -0.00 -2.05 0.04 0.00 0.82 0.00 0.00 66.70 65.51 1bbu h VAL 247 Cb 0.45 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 1bbu h VAL 247 CO 0.03 0.64 0.01 0.58 0.02 0.00 0.00 177.57 178.86 1bbu h VAL 248 N 0.48 0.84 0.00 2.57 2.07 -0.63 -0.90 116.25 120.68 1bbu h VAL 248 Ca -0.06 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1bbu h VAL 248 Cb 1.44 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1bbu h VAL 248 CO 0.16 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.38 1bbu n GLY 249 N -1.20 -0.66 0.00 2.17 0.00 0.32 -4.85 105.19 100.96 1bbu n GLY 249 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1bbu n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bbu n GLY 250 N -0.70 0.69 3.54 -0.02 0.00 -0.34 -5.04 105.19 103.31 1bbu n GLY 250 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1bbu n GLY 250 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bbu s PHE 251 N -2.00 2.36 -1.79 1.61 0.08 0.20 -4.87 117.98 113.56 1bbu s PHE 251 Ca 0.00 -0.10 0.28 0.00 0.12 0.00 0.00 56.93 57.23 1bbu s PHE 251 Cb 0.00 -4.57 1.02 0.00 -0.57 0.00 0.00 43.02 38.90 1bbu s PHE 251 CO 0.00 -1.99 1.73 0.39 -0.10 0.00 0.00 175.22 175.25 1bbu n GLU 252 N 9.08 0.86 -3.10 0.44 1.02 -1.26 -3.63 120.64 124.05 1bbu n GLU 252 Ca 0.02 -0.42 -0.17 0.00 -0.02 0.00 0.00 57.16 56.58 1bbu n GLU 252 Cb 0.48 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.37 1bbu n GLU 252 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1bbu n ARG 253 N -0.71 0.39 -4.12 3.49 1.74 -1.25 -0.76 116.66 115.43 1bbu n ARG 253 Ca 0.14 -2.67 -0.25 0.00 -0.77 0.00 0.00 57.85 54.30 1bbu n ARG 253 Cb 0.31 -1.55 -0.06 0.00 -1.02 0.00 0.00 32.46 30.14 1bbu n ARG 253 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1bbu s VAL 254 N 0.31 4.30 0.03 1.55 -7.23 -0.98 -0.91 120.40 117.47 1bbu s VAL 254 Ca 0.32 -1.25 -0.15 0.00 -1.81 0.00 0.00 61.98 59.09 1bbu s VAL 254 Cb 0.04 -3.22 0.02 0.00 0.56 0.00 0.00 36.38 33.79 1bbu s VAL 254 CO -0.14 -0.17 0.33 0.72 -0.31 0.00 0.00 175.10 175.53 1bbu s PHE 255 N -1.86 -0.16 -0.08 2.82 -0.71 -0.66 0.00 117.98 117.33 1bbu s PHE 255 Ca 0.31 0.11 -0.04 0.00 -1.04 0.00 0.00 56.93 56.26 1bbu s PHE 255 Cb -0.09 0.12 0.04 0.00 -1.21 0.00 0.00 43.02 41.88 1bbu s PHE 255 CO 0.23 -0.49 0.20 -2.00 -1.34 0.00 0.00 175.22 171.81 1bbu s GLU 256 N -2.23 0.16 -0.31 1.99 2.12 0.12 -1.62 118.70 118.93 1bbu s GLU 256 Ca -0.07 0.43 -0.01 0.00 0.36 0.00 0.00 54.97 55.68 1bbu s GLU 256 Cb -0.02 -0.13 0.06 0.00 0.26 0.00 0.00 34.13 34.31 1bbu s GLU 256 CO -0.01 -0.15 0.00 0.42 -0.54 0.00 0.00 175.26 174.98 1bbu s ILE 257 N 1.11 2.84 0.10 -3.70 1.01 -1.26 -0.44 121.20 120.86 1bbu s ILE 257 Ca -0.08 -1.55 -0.21 0.00 0.00 0.00 0.00 60.65 58.81 1bbu s ILE 257 Cb -0.10 -2.70 0.07 0.00 0.01 0.00 0.00 42.46 39.74 1bbu s ILE 257 CO -0.07 -0.18 0.98 -3.20 0.00 0.00 0.00 174.94 172.47 1bbu n ASN 258 N 4.57 -1.36 -4.53 3.58 2.85 -0.41 -4.96 115.26 115.00 1bbu n ASN 258 Ca -0.11 -1.60 -0.28 0.00 -0.11 0.00 0.00 54.58 52.47 1bbu n ASN 258 Cb 0.43 2.18 0.23 0.00 1.24 0.00 0.00 39.78 43.87 1bbu n ASN 258 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1bbu s ARG 259 N -2.03 -0.61 0.02 1.20 1.81 -1.26 -2.16 118.95 115.92 1bbu s ARG 259 Ca 0.22 0.81 -0.11 0.00 -1.72 0.00 0.00 55.73 54.93 1bbu s ARG 259 Cb -0.02 -1.59 0.01 0.00 -0.45 0.00 0.00 34.95 32.90 1bbu s ARG 259 CO 0.03 -3.51 0.23 -0.80 -0.68 0.00 0.00 175.30 170.57 1bbu s ASN 260 N -2.70 -0.06 -0.11 0.23 0.01 -0.80 -4.80 114.94 106.71 1bbu s ASN 260 Ca 0.68 -0.17 -0.00 0.00 -0.71 0.00 0.00 52.86 52.66 1bbu s ASN 260 Cb -0.24 0.29 0.02 0.00 0.41 0.00 0.00 41.25 41.73 1bbu s ASN 260 CO 0.63 -0.49 -0.08 -0.36 -1.51 0.00 0.00 177.10 175.28 1bbu s PHE 261 N -1.92 1.51 -0.15 2.20 0.40 -0.24 -2.69 117.98 117.09 1bbu s PHE 261 Ca -0.10 -0.74 0.00 0.00 -0.60 0.00 0.00 56.93 55.49 1bbu s PHE 261 Cb -0.04 -1.23 0.03 0.00 0.51 0.00 0.00 43.02 42.29 1bbu s PHE 261 CO -0.00 -0.49 -0.12 1.03 0.70 0.00 0.00 175.22 176.34 1bbu s ARG 262 N 1.57 2.08 0.00 0.44 0.52 -0.48 -4.03 118.95 119.05 1bbu s ARG 262 Ca 0.03 -0.55 -0.00 0.00 -0.52 0.00 0.00 55.73 54.69 1bbu s ARG 262 Cb -0.13 -2.06 -0.01 0.00 0.52 0.00 0.00 34.95 33.27 1bbu s ARG 262 CO -0.07 -0.28 1.14 -1.71 0.02 0.00 0.00 175.30 174.40 1bbu n ASN 263 N 4.79 2.77 -2.74 0.23 2.85 0.30 -4.55 115.26 118.91 1bbu n ASN 263 Ca -0.16 -1.76 0.00 0.00 -0.11 0.00 0.00 54.58 52.56 1bbu n ASN 263 Cb 0.49 -0.60 0.00 0.00 1.24 0.00 0.00 39.78 40.91 1bbu n ASN 263 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1bbu n GLU 264 N 1.83 1.16 -4.20 1.20 -0.58 -1.26 -4.87 120.64 113.92 1bbu n GLU 264 Ca 0.02 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.54 1bbu n GLU 264 Cb 0.28 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.09 1bbu n GLU 264 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1bbu s GLY 265 N -1.02 1.53 -1.51 0.62 0.00 -1.26 -4.89 107.32 100.79 1bbu s GLY 265 Ca 0.00 -1.54 -0.10 0.00 0.00 0.00 0.00 44.72 43.09 1bbu s GLY 265 CO 0.00 -1.59 2.64 1.39 0.00 0.00 0.00 173.10 175.55 1bbu n ILE 266 N -1.05 4.40 -2.31 0.90 5.41 -1.26 -4.63 119.36 120.82 1bbu n ILE 266 Ca -0.07 -3.17 -0.42 0.00 1.00 0.00 0.00 62.75 60.09 1bbu n ILE 266 Cb 0.58 -2.48 0.00 0.00 -0.71 0.00 0.00 39.64 37.04 1bbu n ILE 266 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1bbu n SER 267 N 3.59 5.62 0.00 4.38 7.64 -1.26 -4.91 113.62 128.68 1bbu n SER 267 Ca 0.68 -3.13 0.00 0.00 1.01 0.00 0.00 58.87 57.43 1bbu n SER 267 Cb 0.27 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 1bbu n SER 267 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1bbu n VAL 268 N 2.96 0.00 0.82 0.44 0.24 -1.26 -2.51 118.33 119.02 1bbu n VAL 268 Ca 0.43 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.78 1bbu n VAL 268 Cb 0.34 0.00 0.16 0.00 -1.47 0.00 0.00 33.84 32.87 1bbu n VAL 268 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1bbu n ARG 269 N 0.00 1.88 -4.17 7.34 0.00 -1.26 -3.22 116.66 117.22 1bbu n ARG 269 Ca 0.00 -1.30 -0.16 0.00 -0.00 0.00 0.00 57.85 56.39 1bbu n ARG 269 Cb 0.00 -1.31 -0.11 0.00 -0.00 0.00 0.00 32.46 31.04 1bbu n ARG 269 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1bbu s HIS 270 N -1.54 1.13 -0.05 2.89 4.02 -1.04 -4.84 115.29 115.87 1bbu s HIS 270 Ca 0.24 -0.56 -0.04 0.00 1.02 0.00 0.00 55.06 55.73 1bbu s HIS 270 Cb 0.13 -0.62 0.02 0.00 -1.02 0.00 0.00 32.58 31.08 1bbu s HIS 270 CO 0.16 0.04 0.12 1.21 1.02 0.00 0.00 174.74 177.29 1bbu s ASN 271 N -2.12 -0.11 0.60 1.40 2.47 -1.26 -4.15 114.94 111.77 1bbu s ASN 271 Ca 0.02 0.25 0.29 0.00 0.42 0.00 0.00 52.86 53.84 1bbu s ASN 271 Cb -0.06 0.22 1.57 0.00 -1.45 0.00 0.00 41.25 41.52 1bbu s ASN 271 CO 0.01 -0.07 1.96 1.55 -3.72 0.00 0.00 177.10 176.83 1bbu h PRO 272 N 6.36 0.00 -3.87 0.43 0.13 -1.85 -3.38 132.00 129.83 1bbu h PRO 272 Ca -0.31 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.34 1bbu h PRO 272 Cb 1.18 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.93 1bbu h PRO 272 CO 0.43 0.00 -0.78 -1.83 -0.23 0.00 0.00 178.00 175.59 1bbu s GLU 273 N -4.52 0.94 0.29 0.86 -1.05 -1.26 -1.38 118.70 112.58 1bbu s GLU 273 Ca -0.04 -0.13 0.02 0.00 -0.15 0.00 0.00 54.97 54.68 1bbu s GLU 273 Cb 0.14 -1.40 -0.06 0.00 -0.44 0.00 0.00 34.13 32.38 1bbu s GLU 273 CO 0.50 -0.35 0.08 -0.59 0.95 0.00 0.00 175.26 175.84 1bbu s PHE 274 N 1.85 1.73 -0.26 4.83 -0.71 -1.10 -4.95 117.98 119.38 1bbu s PHE 274 Ca 0.04 -1.09 -0.12 0.00 -1.04 0.00 0.00 56.93 54.72 1bbu s PHE 274 Cb -0.13 -1.07 -0.05 0.00 -1.21 0.00 0.00 43.02 40.56 1bbu s PHE 274 CO -0.07 -0.19 0.23 0.99 -1.34 0.00 0.00 175.22 174.85 1bbu s THR 275 N -3.55 5.29 0.07 -4.49 2.01 -1.26 -1.90 115.64 111.81 1bbu s THR 275 Ca 0.37 0.29 0.08 0.00 0.31 0.00 0.00 61.69 62.75 1bbu s THR 275 Cb 0.08 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 1bbu s THR 275 CO 0.15 0.26 -0.22 -0.32 -0.69 0.00 0.00 174.62 173.80 1bbu s MET 276 N 1.57 1.33 -0.15 4.92 0.00 -0.92 -0.93 119.30 125.13 1bbu s MET 276 Ca 0.10 -1.08 -0.02 0.00 0.00 0.00 0.00 55.69 54.69 1bbu s MET 276 Cb -0.15 -1.55 -0.02 0.00 0.00 0.00 0.00 34.83 33.11 1bbu s MET 276 CO 0.09 0.38 -0.09 1.41 0.00 0.00 0.00 175.02 176.81 1bbu s MET 277 N -1.53 3.50 0.01 4.11 -2.45 -0.58 -1.29 119.30 121.06 1bbu s MET 277 Ca 0.08 -0.61 0.06 0.00 -1.25 0.00 0.00 55.69 53.97 1bbu s MET 277 Cb -0.09 -2.78 -0.03 0.00 1.25 0.00 0.00 34.83 33.18 1bbu s MET 277 CO 0.03 0.19 -0.19 -1.21 1.05 0.00 0.00 175.02 174.90 1bbu s GLU 278 N 0.44 2.17 -0.04 4.11 2.02 0.42 -0.98 118.70 126.85 1bbu s GLU 278 Ca -0.07 -0.91 -0.04 0.00 0.02 0.00 0.00 54.97 53.97 1bbu s GLU 278 Cb -0.15 -2.20 0.01 0.00 0.10 0.00 0.00 34.13 31.89 1bbu s GLU 278 CO 0.04 0.56 0.12 -0.48 0.02 0.00 0.00 175.26 175.52 1bbu s LEU 279 N -1.12 1.56 -0.02 1.80 0.05 -0.23 0.15 118.68 120.88 1bbu s LEU 279 Ca 0.13 0.17 0.04 0.00 0.05 0.00 0.00 54.13 54.52 1bbu s LEU 279 Cb -0.10 0.43 -0.01 0.00 -2.05 0.00 0.00 46.19 44.46 1bbu s LEU 279 CO 0.03 -0.09 -0.12 -0.31 -0.55 0.00 0.00 176.35 175.31 1bbu s TYR 280 N -0.14 1.18 -0.07 3.48 1.51 0.10 -0.64 117.35 122.77 1bbu s TYR 280 Ca -0.02 -0.26 -0.02 0.00 -1.01 0.00 0.00 57.07 55.76 1bbu s TYR 280 Cb -0.02 -0.79 0.03 0.00 -0.11 0.00 0.00 41.96 41.08 1bbu s TYR 280 CO 0.00 -0.06 0.03 0.00 -1.11 0.00 0.00 175.55 174.41 1bbu s MET 281 N -0.12 0.33 0.62 -0.62 0.23 -0.60 -2.32 119.30 116.83 1bbu s MET 281 Ca 0.02 0.18 -0.15 0.00 -1.03 0.00 0.00 55.69 54.71 1bbu s MET 281 Cb -0.07 -0.87 -0.02 0.00 -1.53 0.00 0.00 34.83 32.34 1bbu s MET 281 CO 0.00 -0.34 1.08 0.00 -2.03 0.00 0.00 175.02 173.73 1bbu s ALA 282 N 2.05 2.62 -1.15 3.16 0.00 0.06 -1.58 121.76 126.92 1bbu s ALA 282 Ca 0.05 0.46 -0.02 0.00 0.00 0.00 0.00 51.96 52.45 1bbu s ALA 282 Cb -0.12 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1bbu s ALA 282 CO -0.05 -1.03 0.97 0.66 0.00 0.00 0.00 175.76 176.32 1bbu n TYR 283 N -2.22 -2.25 -3.63 0.00 4.01 0.32 -4.91 117.16 108.48 1bbu n TYR 283 Ca 0.09 0.91 -0.10 0.00 -0.16 0.00 0.00 57.90 58.65 1bbu n TYR 283 Cb 0.52 -4.82 -0.02 0.00 -0.31 0.00 0.00 39.34 34.72 1bbu n TYR 283 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bbu s ALA 284 N -3.37 -1.38 0.48 -0.72 0.00 -1.26 -5.04 121.76 110.48 1bbu s ALA 284 Ca 0.12 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1bbu s ALA 284 Cb -0.02 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.96 1bbu s ALA 284 CO 0.73 -0.88 0.07 0.16 0.00 0.00 0.00 175.76 175.84 1bbu s ASP 285 N -2.83 3.57 0.28 0.00 -4.77 -1.26 -3.29 116.67 108.37 1bbu s ASP 285 Ca 0.06 -1.70 0.02 0.00 -3.30 0.00 0.00 52.55 47.63 1bbu s ASP 285 Cb -0.03 0.61 0.63 0.00 -1.09 0.00 0.00 42.92 43.04 1bbu s ASP 285 CO -0.04 -0.94 1.77 0.10 0.70 0.00 0.00 175.17 176.76 1bbu h TYR 286 N 1.50 0.90 -0.31 2.11 -0.00 -1.82 -1.15 116.97 118.20 1bbu h TYR 286 Ca -0.39 0.03 0.07 0.00 0.00 0.00 0.00 58.73 58.44 1bbu h TYR 286 Cb 1.30 -0.26 -0.08 0.00 0.00 0.00 0.00 36.73 37.70 1bbu h TYR 286 CO 1.64 0.20 -0.22 0.87 -0.00 0.00 0.00 178.16 180.65 1bbu h LYS 287 N 0.68 -0.18 -0.89 0.10 1.57 -1.96 0.14 116.57 116.03 1bbu h LYS 287 Ca 0.52 0.01 0.24 0.00 -1.87 0.00 0.00 60.65 59.56 1bbu h LYS 287 Cb 0.78 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.09 1bbu h LYS 287 CO -0.38 -0.12 0.62 -0.44 -0.57 0.00 0.00 179.45 178.56 1bbu h ASP 288 N -0.18 0.11 0.39 0.86 3.32 -1.61 -0.81 116.42 118.50 1bbu h ASP 288 Ca 0.16 0.01 -0.32 0.00 0.02 0.00 0.00 57.03 56.91 1bbu h ASP 288 Cb 0.44 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1bbu h ASP 288 CO -0.42 0.04 -1.59 -0.07 -1.72 0.00 0.00 179.24 175.48 1bbu h LEU 289 N 0.11 0.44 -0.13 1.55 3.38 -1.00 -2.57 115.31 117.09 1bbu h LEU 289 Ca 0.44 -0.63 0.05 0.00 0.09 0.00 0.00 57.88 57.83 1bbu h LEU 289 Cb 1.55 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 42.10 1bbu h LEU 289 CO -0.06 1.52 -0.29 0.40 0.09 0.00 0.00 178.44 180.11 1bbu h ILE 290 N 0.08 0.34 -0.20 1.22 2.04 0.54 0.65 117.51 122.18 1bbu h ILE 290 Ca -0.27 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1bbu h ILE 290 Cb 2.04 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1bbu h ILE 290 CO 0.16 0.00 0.11 -0.08 0.00 0.00 0.00 178.15 178.34 1bbu h GLU 291 N -0.36 0.27 -0.33 2.37 4.81 -1.33 -1.73 114.58 118.28 1bbu h GLU 291 Ca 0.10 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1bbu h GLU 291 Cb 0.51 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1bbu h GLU 291 CO -0.33 0.20 -0.07 1.25 -0.73 0.00 0.00 179.01 179.33 1bbu h LEU 292 N 0.27 0.64 -0.32 1.64 5.85 -0.83 -2.98 115.31 119.58 1bbu h LEU 292 Ca 0.07 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.46 1bbu h LEU 292 Cb 0.01 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1bbu h LEU 292 CO -0.01 0.84 0.16 0.74 -0.34 0.00 0.00 178.44 179.84 1bbu h THR 293 N 0.42 0.99 -0.05 1.05 2.02 -0.05 -0.26 112.91 117.03 1bbu h THR 293 Ca 0.09 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1bbu h THR 293 Cb 0.56 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1bbu h THR 293 CO 0.03 0.06 -0.08 -0.33 0.37 0.00 0.00 175.52 175.57 1bbu h GLU 294 N 0.34 -0.06 -1.02 6.66 5.08 -1.40 -0.87 114.58 123.31 1bbu h GLU 294 Ca 0.13 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.75 1bbu h GLU 294 Cb 0.04 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.19 1bbu h GLU 294 CO -0.09 -0.04 0.62 0.77 -1.00 0.00 0.00 179.01 179.28 1bbu h SER 295 N -0.07 0.59 0.51 1.42 0.02 -1.35 -0.46 113.55 114.22 1bbu h SER 295 Ca 0.01 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1bbu h SER 295 Cb 0.09 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1bbu h SER 295 CO -0.08 0.10 -0.27 0.25 -1.14 0.00 0.00 176.83 175.69 1bbu h LEU 296 N 0.51 -0.65 0.62 5.07 5.85 0.27 0.68 115.31 127.66 1bbu h LEU 296 Ca 0.63 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 59.35 1bbu h LEU 296 Cb 1.34 0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.55 1bbu h LEU 296 CO -0.41 -0.44 -0.30 -0.26 -0.34 0.00 0.00 178.44 176.69 1bbu h PHE 297 N -0.71 -0.77 -1.02 1.25 -1.00 -0.23 0.37 116.94 114.83 1bbu h PHE 297 Ca -0.06 -0.02 0.24 0.00 2.81 0.00 0.00 57.97 60.94 1bbu h PHE 297 Cb 0.56 0.25 -0.10 0.00 3.61 0.00 0.00 35.95 40.27 1bbu h PHE 297 CO -0.06 -0.43 0.64 -0.09 -1.61 0.00 0.00 178.31 176.76 1bbu h ARG 298 N -1.11 0.49 0.02 1.51 2.43 -1.18 -0.05 114.38 116.49 1bbu h ARG 298 Ca -0.08 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 58.86 1bbu h ARG 298 Cb 0.68 -0.11 0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1bbu h ARG 298 CO 0.14 0.32 -0.78 1.15 -1.51 0.00 0.00 179.97 179.29 1bbu h THR 299 N 0.50 1.38 -0.23 0.20 2.02 -0.73 -3.03 112.91 113.02 1bbu h THR 299 Ca 0.60 -2.18 -0.02 0.00 0.77 0.00 0.00 66.41 65.57 1bbu h THR 299 Cb 1.32 2.60 -0.01 0.00 -1.74 0.00 0.00 68.15 70.31 1bbu h THR 299 CO -0.35 0.65 0.06 -0.07 0.37 0.00 0.00 175.52 176.18 1bbu h LEU 300 N 0.03 0.34 -0.25 2.58 3.38 0.50 -1.73 115.31 120.17 1bbu h LEU 300 Ca -0.10 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.70 1bbu h LEU 300 Cb 1.48 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 42.08 1bbu h LEU 300 CO 0.15 0.48 -0.14 0.00 0.09 0.00 0.00 178.44 179.02 1bbu h ALA 301 N 0.88 0.05 -0.34 1.53 0.00 -1.19 0.53 119.26 120.73 1bbu h ALA 301 Ca 0.07 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1bbu h ALA 301 Cb 0.26 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1bbu h ALA 301 CO -0.00 -0.55 0.01 0.37 0.00 0.00 0.00 179.25 179.08 1bbu h GLN 302 N -0.12 0.10 -0.08 0.00 5.75 -1.44 0.63 115.11 119.96 1bbu h GLN 302 Ca 0.14 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.56 1bbu h GLN 302 Cb 0.32 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.85 1bbu h GLN 302 CO -0.32 0.07 -0.21 -0.44 -2.65 0.00 0.00 178.83 175.27 1bbu h ASP 303 N 0.11 0.32 0.63 -0.69 3.32 -0.63 -1.08 116.42 118.39 1bbu h ASP 303 Ca 0.16 -0.60 -0.27 0.00 0.02 0.00 0.00 57.03 56.34 1bbu h ASP 303 Cb 0.22 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1bbu h ASP 303 CO -0.27 0.86 -1.43 0.40 -1.72 0.00 0.00 179.24 177.09 1bbu h ILE 304 N -0.20 1.23 -0.03 0.35 2.04 0.09 -3.38 117.51 117.60 1bbu h ILE 304 Ca -0.00 -2.96 0.00 0.00 1.00 0.00 0.00 64.86 62.90 1bbu h ILE 304 Cb 0.82 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1bbu h ILE 304 CO 0.05 0.77 0.00 0.18 0.00 0.00 0.00 178.15 179.15 1bbu n LEU 305 N -3.31 1.69 0.00 1.44 4.77 0.22 -5.01 117.00 116.80 1bbu n LEU 305 Ca -0.12 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 1bbu n LEU 305 Cb 1.01 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 1bbu n LEU 305 CO 0.48 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1bbu n GLY 306 N 0.38 0.69 3.72 -0.72 0.00 -0.41 -4.90 105.19 103.95 1bbu n GLY 306 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1bbu n GLY 306 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bbu s LYS 307 N 0.00 2.56 -0.11 1.61 -2.85 -1.26 -4.78 119.74 114.90 1bbu s LYS 307 Ca 0.00 -1.22 0.13 0.00 -1.00 0.00 0.00 55.97 53.88 1bbu s LYS 307 Cb 0.00 -2.35 -0.24 0.00 -2.06 0.00 0.00 37.83 33.18 1bbu s LYS 307 CO 0.00 0.40 0.39 0.25 0.10 0.00 0.00 175.35 176.49 1bbu n THR 308 N -0.84 1.54 -2.74 3.79 -2.24 -1.26 -3.95 114.28 108.57 1bbu n THR 308 Ca -0.08 -0.80 -0.43 0.00 -2.27 0.00 0.00 64.05 60.48 1bbu n THR 308 Cb 0.58 -0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 67.88 1bbu n THR 308 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1bbu s GLU 309 N -2.55 4.26 -0.09 -0.78 8.01 -1.26 -1.40 118.70 124.88 1bbu s GLU 309 Ca -0.09 1.24 0.01 0.00 0.01 0.00 0.00 54.97 56.14 1bbu s GLU 309 Cb 0.07 -3.63 0.02 0.00 -4.31 0.00 0.00 34.13 26.28 1bbu s GLU 309 CO 0.81 -0.55 -0.12 0.08 0.01 0.00 0.00 175.26 175.50 1bbu s VAL 310 N 2.91 1.23 -0.13 2.63 1.01 -0.15 -4.96 120.40 122.94 1bbu s VAL 310 Ca 0.42 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 1bbu s VAL 310 Cb -0.16 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1bbu s VAL 310 CO 0.08 0.39 1.04 -0.89 0.00 0.00 0.00 175.10 175.72 1bbu s THR 311 N 1.03 4.69 -0.29 3.92 2.01 -1.26 0.16 115.64 125.90 1bbu s THR 311 Ca -0.07 1.98 -0.01 0.00 0.31 0.00 0.00 61.69 63.89 1bbu s THR 311 Cb -0.15 -4.27 0.09 0.00 0.01 0.00 0.00 72.50 68.18 1bbu s THR 311 CO -0.01 -0.04 0.09 -0.47 -0.69 0.00 0.00 174.62 173.50 1bbu s TYR 312 N 2.32 1.47 0.00 4.92 5.04 -0.24 -4.75 117.35 126.11 1bbu s TYR 312 Ca 0.48 -1.51 0.00 0.00 -2.44 0.00 0.00 57.07 53.61 1bbu s TYR 312 Cb -0.18 -1.51 0.00 0.00 0.35 0.00 0.00 41.96 40.61 1bbu s TYR 312 CO 0.16 -0.83 0.00 0.41 -1.34 0.00 0.00 175.55 173.95 1bbu n GLY 313 N 4.92 3.75 0.10 8.97 0.00 -1.26 -2.38 105.19 119.29 1bbu n GLY 313 Ca -0.04 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1bbu n GLY 313 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bbu n ASP 314 N 7.02 0.79 -4.60 1.61 8.00 -1.26 -4.89 116.55 123.21 1bbu n ASP 314 Ca 0.00 0.58 -0.24 0.00 0.71 0.00 0.00 54.79 55.84 1bbu n ASP 314 Cb 0.00 -0.79 -0.08 0.00 -0.02 0.00 0.00 41.12 40.23 1bbu n ASP 314 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1bbu s VAL 315 N -3.11 2.93 -0.32 2.53 1.01 -1.00 -5.11 120.40 117.32 1bbu s VAL 315 Ca 0.10 -2.05 -0.06 0.00 0.00 0.00 0.00 61.98 59.98 1bbu s VAL 315 Cb 0.12 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.84 1bbu s VAL 315 CO 0.58 -0.32 0.08 -0.89 0.00 0.00 0.00 175.10 174.55 1bbu s THR 316 N -2.44 3.65 -0.41 3.92 2.01 -1.26 -1.08 115.64 120.03 1bbu s THR 316 Ca 0.32 -1.11 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 1bbu s THR 316 Cb -0.04 -3.04 0.02 0.00 0.01 0.00 0.00 72.50 69.45 1bbu s THR 316 CO 0.19 -0.12 1.23 -0.76 -0.69 0.00 0.00 174.62 174.46 1bbu s LEU 317 N 1.39 3.70 -0.95 4.42 1.43 0.12 -4.84 118.68 123.95 1bbu s LEU 317 Ca -0.02 0.76 -0.19 0.00 -1.03 0.00 0.00 54.13 53.65 1bbu s LEU 317 Cb -0.19 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.60 1bbu s LEU 317 CO 0.02 -1.22 1.20 -0.62 0.23 0.00 0.00 176.35 175.95 1bbu s ASP 318 N 2.80 6.62 0.00 2.29 2.15 -1.26 -0.98 116.67 128.28 1bbu s ASP 318 Ca 0.52 -1.96 0.29 0.00 0.43 0.00 0.00 52.55 51.83 1bbu s ASP 318 Cb -0.11 -2.43 1.73 0.00 -0.30 0.00 0.00 42.92 41.81 1bbu s ASP 318 CO 0.28 -1.14 2.08 0.49 -0.17 0.00 0.00 175.17 176.72 1bbu n PHE 319 N 6.95 0.00 0.02 -5.34 3.72 -0.49 -3.58 117.46 118.74 1bbu n PHE 319 Ca 0.26 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.47 1bbu n PHE 319 Cb 0.49 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.89 1bbu n PHE 319 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1bbu h GLY 320 N 4.76 0.29 -3.54 1.37 0.00 -1.88 -3.43 103.07 100.66 1bbu h GLY 320 Ca 0.00 -0.75 -0.49 0.00 0.00 0.00 0.00 47.33 46.09 1bbu h GLY 320 CO 0.00 0.66 0.38 -1.59 0.00 0.00 0.00 176.54 175.99 1bbu s LYS 321 N -2.57 4.70 0.08 4.80 0.00 -1.24 -4.95 119.74 120.56 1bbu s LYS 321 Ca -0.17 1.53 -0.37 0.00 0.00 0.00 0.00 55.97 56.96 1bbu s LYS 321 Cb 0.07 -3.10 -0.16 0.00 0.00 0.00 0.00 37.83 34.63 1bbu s LYS 321 CO 0.80 0.35 1.38 -2.30 0.00 0.00 0.00 175.35 175.58 1bbu n PRO 322 N 1.11 1.25 -1.61 1.78 -0.02 -1.26 -4.87 135.00 131.37 1bbu n PRO 322 Ca -0.00 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1bbu n PRO 322 Cb 0.47 -2.11 0.01 0.00 -0.02 0.00 0.00 33.50 31.85 1bbu n PRO 322 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1bbu n PHE 323 N 2.72 1.23 -2.76 6.00 3.01 -1.26 -4.94 117.46 121.46 1bbu n PHE 323 Ca 0.19 0.57 -0.36 0.00 1.01 0.00 0.00 57.45 58.86 1bbu n PHE 323 Cb 0.20 -2.24 -0.06 0.00 -0.01 0.00 0.00 39.48 37.37 1bbu n PHE 323 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1bbu s GLU 324 N -1.96 4.41 -0.14 -1.08 2.02 -0.77 -4.92 118.70 116.26 1bbu s GLU 324 Ca 0.62 1.29 0.00 0.00 0.02 0.00 0.00 54.97 56.91 1bbu s GLU 324 Cb -0.57 -2.57 0.02 0.00 0.10 0.00 0.00 34.13 31.11 1bbu s GLU 324 CO 0.57 0.12 -0.14 0.15 0.02 0.00 0.00 175.26 175.98 1bbu s LYS 325 N -2.47 2.23 0.02 1.61 3.01 -1.26 -0.68 119.74 122.20 1bbu s LYS 325 Ca 0.55 -0.54 0.02 0.00 -1.01 0.00 0.00 55.97 54.99 1bbu s LYS 325 Cb -0.16 -2.04 -0.01 0.00 -1.01 0.00 0.00 37.83 34.61 1bbu s LYS 325 CO 0.21 -0.21 -0.07 -0.51 0.51 0.00 0.00 175.35 175.28 1bbu s LEU 326 N 1.42 2.13 0.76 3.17 1.43 -0.21 -4.99 118.68 122.39 1bbu s LEU 326 Ca 0.03 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 1bbu s LEU 326 Cb -0.13 -0.26 0.05 0.00 0.03 0.00 0.00 46.19 45.88 1bbu s LEU 326 CO -0.09 -0.05 1.12 0.42 0.23 0.00 0.00 176.35 177.98 1bbu s THR 327 N -0.73 2.95 0.18 5.49 -4.23 -1.26 -0.95 115.64 117.09 1bbu s THR 327 Ca -0.03 0.31 -0.13 0.00 -1.18 0.00 0.00 61.69 60.66 1bbu s THR 327 Cb -0.06 -3.26 0.08 0.00 1.34 0.00 0.00 72.50 70.60 1bbu s THR 327 CO 0.00 -0.40 1.83 -0.03 -0.54 0.00 0.00 174.62 175.48 1bbu h MET 328 N -0.87 0.78 -0.43 3.99 4.05 -1.14 -0.79 114.93 120.53 1bbu h MET 328 Ca -0.46 -0.06 0.02 0.00 -0.28 0.00 0.00 59.70 58.92 1bbu h MET 328 Cb 1.28 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 31.88 1bbu h MET 328 CO 0.64 0.54 0.26 0.00 0.23 0.00 0.00 176.91 178.57 1bbu h ARG 329 N 0.78 0.51 0.11 0.39 2.47 -1.86 -0.06 114.38 116.73 1bbu h ARG 329 Ca 0.21 -0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.92 1bbu h ARG 329 Cb -0.05 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.12 1bbu h ARG 329 CO -0.04 0.34 -0.26 0.93 0.56 0.00 0.00 179.97 181.50 1bbu h GLU 330 N 0.52 -0.44 -0.77 0.04 5.08 -1.85 -1.83 114.58 115.33 1bbu h GLU 330 Ca 0.17 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.66 1bbu h GLU 330 Cb -0.01 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.27 1bbu h GLU 330 CO -0.07 -0.30 0.40 0.00 -1.00 0.00 0.00 179.01 178.05 1bbu h ALA 331 N 0.28 1.08 -0.55 3.43 0.00 -0.70 0.95 119.26 123.75 1bbu h ALA 331 Ca 0.03 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1bbu h ALA 331 Cb 0.49 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1bbu h ALA 331 CO -0.16 -0.01 0.33 0.82 0.00 0.00 0.00 179.25 180.23 1bbu h ILE 332 N 0.66 1.05 -0.06 0.00 2.04 -0.57 -2.02 117.51 118.62 1bbu h ILE 332 Ca 0.38 -0.22 -0.13 0.00 1.00 0.00 0.00 64.86 65.89 1bbu h ILE 332 Cb 0.41 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1bbu h ILE 332 CO -0.28 0.12 -0.55 0.50 0.00 0.00 0.00 178.15 177.94 1bbu h LYS 333 N 0.66 0.16 -0.22 2.37 1.63 -0.42 -1.50 116.57 119.25 1bbu h LYS 333 Ca 0.22 -0.10 -0.16 0.00 -0.85 0.00 0.00 60.65 59.76 1bbu h LYS 333 Cb 0.03 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1bbu h LYS 333 CO -0.10 0.67 -0.51 -0.22 -3.45 0.00 0.00 179.45 175.84 1bbu h LYS 334 N 0.13 0.62 -0.02 1.90 3.64 -0.40 -3.05 116.57 119.39 1bbu h LYS 334 Ca -0.00 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1bbu h LYS 334 Cb 1.01 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1bbu h LYS 334 CO 0.08 0.98 -0.27 0.66 -2.27 0.00 0.00 179.45 178.63 1bbu n TYR 335 N -3.98 0.00 -3.27 1.91 4.01 -0.80 -4.40 117.16 110.63 1bbu n TYR 335 Ca -0.03 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.46 1bbu n TYR 335 Cb 0.59 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.54 1bbu n TYR 335 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1bbu n ARG 336 N 0.27 0.66 -0.02 -0.72 0.63 -0.57 -4.93 116.66 111.98 1bbu n ARG 336 Ca 0.09 -3.29 0.22 0.00 -0.92 0.00 0.00 57.85 53.95 1bbu n ARG 336 Cb 0.42 -1.40 0.70 0.00 0.45 0.00 0.00 32.46 32.64 1bbu n ARG 336 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1bbu h PRO 337 N 4.47 0.00 0.00 -0.14 0.11 -1.74 -1.51 132.00 133.19 1bbu h PRO 337 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1bbu h PRO 337 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1bbu h PRO 337 CO 0.46 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.40 1bbu n GLU 338 N -4.30 0.68 -2.32 1.05 0.00 -1.26 -4.83 120.64 109.66 1bbu n GLU 338 Ca 0.11 0.01 -0.42 0.00 0.00 0.00 0.00 57.16 56.86 1bbu n GLU 338 Cb 0.67 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.59 1bbu n GLU 338 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1bbu s THR 339 N -2.06 4.00 -0.68 3.84 2.01 -0.57 -4.97 115.64 117.22 1bbu s THR 339 Ca 0.33 1.32 -0.25 0.00 0.31 0.00 0.00 61.69 63.40 1bbu s THR 339 Cb 0.16 -3.85 0.05 0.00 0.01 0.00 0.00 72.50 68.87 1bbu s THR 339 CO 0.27 -0.04 1.09 -0.62 -0.69 0.00 0.00 174.62 174.63 1bbu s ASP 340 N 1.92 6.19 0.53 3.53 2.15 -1.26 -4.89 116.67 124.84 1bbu s ASP 340 Ca 0.60 -0.69 0.29 0.00 0.43 0.00 0.00 52.55 53.19 1bbu s ASP 340 Cb -0.27 -2.48 1.43 0.00 -0.30 0.00 0.00 42.92 41.30 1bbu s ASP 340 CO 0.22 -1.57 1.90 0.24 -0.17 0.00 0.00 175.17 175.80 1bbu h MET 341 N 9.71 0.04 -0.33 4.34 2.86 -1.98 -0.21 114.93 129.37 1bbu h MET 341 Ca -0.28 -0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.45 1bbu h MET 341 Cb 1.06 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 1bbu h MET 341 CO 1.21 0.02 0.27 0.00 1.06 0.00 0.00 176.91 179.48 1bbu h ALA 342 N 1.59 2.17 0.00 6.32 0.00 -2.03 0.88 119.26 128.19 1bbu h ALA 342 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1bbu h ALA 342 Cb 1.54 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1bbu h ALA 342 CO -0.02 -0.44 0.00 -0.44 0.00 0.00 0.00 179.25 178.35 1bbu h ASP 343 N 0.00 0.00 0.68 0.00 3.32 -1.40 -2.99 116.42 116.03 1bbu h ASP 343 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1bbu h ASP 343 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1bbu h ASP 343 CO -0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 1bbu n LEU 344 N -2.88 0.00 0.01 1.55 4.77 0.30 -2.36 117.00 118.39 1bbu n LEU 344 Ca 0.02 0.37 0.11 0.00 -0.03 0.00 0.00 56.01 56.48 1bbu n LEU 344 Cb 0.36 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1bbu n LEU 344 CO 0.28 -0.02 0.01 0.47 -1.33 0.00 0.00 177.39 176.79 1bbu n ASP 345 N -1.37 0.72 -4.56 -1.43 8.00 -1.13 -4.92 116.55 111.86 1bbu n ASP 345 Ca 0.11 -0.56 -0.32 0.00 0.71 0.00 0.00 54.79 54.73 1bbu n ASP 345 Cb 0.26 0.88 -0.11 0.00 -0.02 0.00 0.00 41.12 42.13 1bbu n ASP 345 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1bbu s ASN 346 N -3.37 4.39 0.01 -2.24 3.84 -1.19 -5.07 114.94 111.31 1bbu s ASN 346 Ca 0.06 -0.22 -0.23 0.00 0.21 0.00 0.00 52.86 52.69 1bbu s ASN 346 Cb 0.16 -0.95 -0.18 0.00 -0.55 0.00 0.00 41.25 39.73 1bbu s ASN 346 CO 0.82 0.28 1.27 0.15 -2.79 0.00 0.00 177.10 176.83 1bbu h PHE 347 N 4.55 0.28 -0.43 0.43 3.57 -1.91 -2.65 116.94 120.77 1bbu h PHE 347 Ca -0.48 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 60.86 1bbu h PHE 347 Cb 1.16 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1bbu h PHE 347 CO 0.56 0.70 -0.00 -0.44 -2.23 0.00 0.00 178.31 176.90 1bbu h ASP 348 N -0.23 0.75 0.06 0.41 3.32 -1.97 -1.65 116.42 117.10 1bbu h ASP 348 Ca 0.01 -0.31 -0.15 0.00 0.02 0.00 0.00 57.03 56.60 1bbu h ASP 348 Cb 0.68 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1bbu h ASP 348 CO 0.03 0.87 -0.52 0.77 -1.72 0.00 0.00 179.24 178.67 1bbu h SER 349 N 0.60 0.56 0.34 6.45 4.64 -1.80 -0.60 113.55 123.74 1bbu h SER 349 Ca 0.12 -0.29 -0.12 0.00 -0.47 0.00 0.00 61.79 61.04 1bbu h SER 349 Cb 0.49 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1bbu h SER 349 CO 0.02 0.98 -0.49 0.00 -0.87 0.00 0.00 176.83 176.46 1bbu h ALA 350 N 1.04 1.04 -0.14 5.18 0.00 -1.08 -0.81 119.26 124.48 1bbu h ALA 350 Ca 0.01 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 1bbu h ALA 350 Cb 1.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1bbu h ALA 350 CO 0.10 0.65 -0.67 -0.22 0.00 0.00 0.00 179.25 179.10 1bbu h LYS 351 N 0.15 0.56 0.11 0.00 3.64 -1.17 -2.17 116.57 117.68 1bbu h LYS 351 Ca 0.01 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1bbu h LYS 351 Cb 0.93 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1bbu h LYS 351 CO 0.07 1.03 -0.09 0.00 -2.27 0.00 0.00 179.45 178.20 1bbu h ALA 352 N 0.86 -0.18 -0.13 5.00 0.00 -0.78 -0.37 119.26 123.66 1bbu h ALA 352 Ca -0.02 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1bbu h ALA 352 Cb 1.24 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1bbu h ALA 352 CO 0.12 -0.61 0.02 0.82 0.00 0.00 0.00 179.25 179.61 1bbu h ILE 353 N -0.20 0.94 -0.59 0.00 2.04 -1.19 0.24 117.51 118.75 1bbu h ILE 353 Ca -0.00 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 65.90 1bbu h ILE 353 Cb 0.19 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 1bbu h ILE 353 CO -0.01 0.01 0.27 0.00 0.00 0.00 0.00 178.15 178.42 1bbu h ALA 354 N 1.10 0.76 0.00 1.87 0.00 -1.21 -1.68 119.26 120.10 1bbu h ALA 354 Ca 0.06 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1bbu h ALA 354 Cb 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1bbu h ALA 354 CO -0.08 -0.11 -0.54 0.93 0.00 0.00 0.00 179.25 179.44 1bbu h GLU 355 N 0.49 0.00 0.00 0.00 5.08 -0.80 -1.07 114.58 118.28 1bbu h GLU 355 Ca 0.28 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1bbu h GLU 355 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1bbu h GLU 355 CO -0.23 0.54 -0.23 0.66 -1.00 0.00 0.00 179.01 178.75 1bbu h SER 356 N 0.00 0.00 -0.59 1.42 4.64 0.34 -1.69 113.55 117.67 1bbu h SER 356 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1bbu h SER 356 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1bbu h SER 356 CO 0.07 0.23 0.00 2.30 -0.87 0.00 0.00 176.83 178.56 1bbu n ILE 357 N -3.51 1.68 -2.30 0.95 -5.35 -0.73 -4.95 119.36 105.14 1bbu n ILE 357 Ca -0.01 -1.06 0.00 0.00 -0.27 0.00 0.00 62.75 61.41 1bbu n ILE 357 Cb 0.39 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 1bbu n ILE 357 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bbu n GLY 358 N 1.05 0.79 3.50 3.28 0.00 -0.63 -5.06 105.19 108.12 1bbu n GLY 358 Ca 0.23 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 1bbu n GLY 358 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bbu s ILE 359 N -2.68 3.96 -0.33 -0.61 1.01 -0.42 -5.00 121.20 117.13 1bbu s ILE 359 Ca 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 60.65 60.05 1bbu s ILE 359 Cb 0.00 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.74 1bbu s ILE 359 CO 0.00 0.48 0.98 -2.28 0.00 0.00 0.00 174.94 174.12 1bbu s HIS 360 N 0.45 3.14 -0.34 3.97 5.65 -1.26 -3.88 115.29 123.02 1bbu s HIS 360 Ca -0.03 1.00 -0.27 0.00 0.25 0.00 0.00 55.06 56.01 1bbu s HIS 360 Cb -0.14 -3.59 0.01 0.00 -1.18 0.00 0.00 32.58 27.68 1bbu s HIS 360 CO 0.03 -0.75 0.96 0.08 -0.65 0.00 0.00 174.74 174.41 1bbu s VAL 361 N 3.47 4.59 0.49 0.89 1.01 -1.26 -5.03 120.40 124.55 1bbu s VAL 361 Ca 0.41 1.41 -0.23 0.00 0.00 0.00 0.00 61.98 63.57 1bbu s VAL 361 Cb -0.12 -4.34 -0.07 0.00 0.00 0.00 0.00 36.38 31.85 1bbu s VAL 361 CO 0.16 -0.47 1.27 -1.61 0.00 0.00 0.00 175.10 174.45 1bbu s GLU 362 N 3.47 3.54 0.53 2.72 0.41 -1.26 -4.91 118.70 123.19 1bbu s GLU 362 Ca 0.40 2.04 0.23 0.00 -0.41 0.00 0.00 54.97 57.23 1bbu s GLU 362 Cb -0.12 -2.41 1.37 0.00 -1.78 0.00 0.00 34.13 31.18 1bbu s GLU 362 CO 0.16 -0.81 2.03 1.57 -0.49 0.00 0.00 175.26 177.73 1bbu h LYS 363 N 1.92 0.00 -0.01 1.61 2.10 -1.96 -1.33 116.57 118.91 1bbu h LYS 363 Ca -0.50 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1bbu h LYS 363 Cb 1.27 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1bbu h LYS 363 CO 0.59 0.00 -0.01 -1.13 -2.00 0.00 0.00 179.45 176.91 1bbu n SER 364 N -4.42 0.67 -4.75 7.07 3.41 -1.26 -4.91 113.62 109.42 1bbu n SER 364 Ca 0.07 -1.19 -0.40 0.00 -0.26 0.00 0.00 58.87 57.09 1bbu n SER 364 Cb 0.49 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.38 1bbu n SER 364 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1bbu s TRP 365 N -2.03 3.87 0.48 7.33 0.52 -0.50 -4.99 118.94 123.62 1bbu s TRP 365 Ca 0.43 1.71 0.07 0.00 0.02 0.00 0.00 56.10 58.33 1bbu s TRP 365 Cb 0.21 -2.90 0.02 0.00 -1.15 0.00 0.00 33.47 29.66 1bbu s TRP 365 CO 0.36 0.38 0.48 0.20 0.02 0.00 0.00 176.95 178.39 1bbu s GLY 366 N -0.64 2.11 0.21 0.98 0.00 -1.26 -4.94 107.32 103.78 1bbu s GLY 366 Ca 0.40 -1.75 -0.13 0.00 0.00 0.00 0.00 44.72 43.24 1bbu s GLY 366 CO 0.28 -1.74 1.62 -2.00 0.00 0.00 0.00 173.10 171.26 1bbu h LEU 367 N 0.75 -0.60 -1.42 0.66 5.85 -1.97 -0.39 115.31 118.19 1bbu h LEU 367 Ca -0.38 0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.58 1bbu h LEU 367 Cb 1.28 0.40 -0.04 0.00 0.37 0.00 0.00 40.66 42.67 1bbu h LEU 367 CO 0.53 -0.21 0.43 1.23 -0.34 0.00 0.00 178.44 180.08 1bbu h GLY 368 N 0.00 0.86 0.81 3.75 0.00 -1.96 0.11 103.07 106.65 1bbu h GLY 368 Ca 0.31 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 1bbu h GLY 368 CO -0.66 0.24 -0.15 -0.09 0.00 0.00 0.00 176.54 175.87 1bbu h ARG 369 N 0.73 0.45 -0.38 4.80 9.65 -1.49 -0.68 114.38 127.46 1bbu h ARG 369 Ca 0.27 -0.22 0.05 0.00 -1.10 0.00 0.00 59.98 58.98 1bbu h ARG 369 Cb 0.14 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.68 1bbu h ARG 369 CO -0.08 0.78 0.10 0.82 2.80 0.00 0.00 179.97 184.40 1bbu h ILE 370 N 0.13 0.85 -0.37 1.20 2.04 -0.57 0.72 117.51 121.50 1bbu h ILE 370 Ca 0.04 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1bbu h ILE 370 Cb 0.68 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1bbu h ILE 370 CO 0.04 0.04 0.14 0.58 0.00 0.00 0.00 178.15 178.96 1bbu h VAL 371 N 0.24 1.20 -0.68 1.67 2.07 -0.96 -0.36 116.25 119.42 1bbu h VAL 371 Ca 0.18 -0.62 0.06 0.00 0.82 0.00 0.00 66.70 67.14 1bbu h VAL 371 Cb 0.19 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1bbu h VAL 371 CO -0.21 0.22 0.39 0.74 0.02 0.00 0.00 177.57 178.73 1bbu h THR 372 N 0.46 0.98 0.47 2.57 2.02 -0.62 -0.40 112.91 118.39 1bbu h THR 372 Ca 0.12 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1bbu h THR 372 Cb 0.21 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1bbu h THR 372 CO -0.01 0.13 -0.27 -0.33 0.37 0.00 0.00 175.52 175.41 1bbu h GLU 373 N 0.71 -0.66 -0.58 6.66 4.39 -0.49 -0.46 114.58 124.15 1bbu h GLU 373 Ca 0.30 0.05 0.11 0.00 0.34 0.00 0.00 59.36 60.16 1bbu h GLU 373 Cb 0.17 0.15 -0.11 0.00 -0.10 0.00 0.00 28.75 28.86 1bbu h GLU 373 CO -0.17 -0.44 -0.23 0.82 -1.16 0.00 0.00 179.01 177.82 1bbu h ILE 374 N -0.69 0.29 -0.26 3.13 2.04 -0.67 0.20 117.51 121.55 1bbu h ILE 374 Ca -0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.87 1bbu h ILE 374 Cb 0.56 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 1bbu h ILE 374 CO 0.07 0.00 -0.22 0.15 0.00 0.00 0.00 178.15 178.15 1bbu h PHE 375 N -0.08 -0.58 -0.50 1.37 3.57 -0.68 -1.27 116.94 118.77 1bbu h PHE 375 Ca 0.27 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.87 1bbu h PHE 375 Cb 0.50 0.30 -0.09 0.00 2.79 0.00 0.00 35.95 39.44 1bbu h PHE 375 CO -0.55 -0.30 -0.49 0.93 -2.23 0.00 0.00 178.31 175.67 1bbu h GLU 376 N -0.22 -0.29 0.00 1.11 4.39 0.10 -0.85 114.58 118.82 1bbu h GLU 376 Ca 0.14 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1bbu h GLU 376 Cb 0.44 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1bbu h GLU 376 CO -0.39 -0.20 0.00 -1.91 -1.16 0.00 0.00 179.01 175.36 1bbu n GLU 377 N -5.39 0.00 0.04 2.33 4.07 -0.29 -2.29 120.64 119.11 1bbu n GLU 377 Ca -0.01 0.42 0.21 0.00 -0.06 0.00 0.00 57.16 57.72 1bbu n GLU 377 Cb 0.34 -1.38 0.73 0.00 -0.06 0.00 0.00 31.44 31.08 1bbu n GLU 377 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1bbu h VAL 378 N 0.00 0.45 0.00 6.31 2.07 -1.23 -3.38 116.25 120.48 1bbu h VAL 378 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1bbu h VAL 378 Cb 0.00 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1bbu h VAL 378 CO 0.00 0.00 -0.77 0.00 0.02 0.00 0.00 177.57 176.82 1bbu n ALA 379 N -2.43 1.89 -0.26 1.67 0.00 -0.33 -4.80 120.51 116.26 1bbu n ALA 379 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.57 1bbu n ALA 379 Cb 0.67 0.29 0.13 0.00 0.00 0.00 0.00 19.45 20.54 1bbu n ALA 379 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1bbu h GLU 380 N 0.00 0.06 0.00 0.00 5.08 -1.52 -0.51 114.58 117.69 1bbu h GLU 380 Ca 0.00 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1bbu h GLU 380 Cb 0.77 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1bbu h GLU 380 CO 0.00 0.04 -0.13 0.00 -1.00 0.00 0.00 179.01 177.92 1bbu h ALA 381 N 1.72 1.70 0.00 3.43 0.00 -1.80 -2.06 119.26 122.26 1bbu h ALA 381 Ca 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1bbu h ALA 381 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1bbu h ALA 381 CO -0.70 0.16 -0.15 0.72 0.00 0.00 0.00 179.25 179.28 1bbu n HIS 382 N -4.26 0.50 -2.56 0.00 8.25 -0.21 -4.25 115.22 112.69 1bbu n HIS 382 Ca -0.03 0.15 -0.42 0.00 -0.26 0.00 0.00 57.72 57.17 1bbu n HIS 382 Cb 0.20 -0.70 -0.02 0.00 1.12 0.00 0.00 29.99 30.60 1bbu n HIS 382 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1bbu s LEU 383 N -3.87 3.62 -0.23 2.41 1.43 -0.77 -4.65 118.68 116.61 1bbu s LEU 383 Ca 0.11 -1.81 -0.16 0.00 -1.03 0.00 0.00 54.13 51.24 1bbu s LEU 383 Cb 0.15 -2.57 -0.17 0.00 0.03 0.00 0.00 46.19 43.63 1bbu s LEU 383 CO 0.61 -1.40 -0.01 -0.38 0.23 0.00 0.00 176.35 175.39 1bbu n ILE 384 N 6.72 1.55 -2.30 -0.59 2.08 -1.26 0.15 119.36 125.72 1bbu n ILE 384 Ca 0.39 -0.25 -0.33 0.00 0.56 0.00 0.00 62.75 63.13 1bbu n ILE 384 Cb 0.49 -1.92 -0.02 0.00 -0.75 0.00 0.00 39.64 37.44 1bbu n ILE 384 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1bbu s GLN 385 N -2.44 3.64 -0.32 0.38 -1.52 -1.26 -0.36 119.66 117.77 1bbu s GLN 385 Ca -0.32 1.18 -0.39 0.00 -1.95 0.00 0.00 55.36 53.87 1bbu s GLN 385 Cb 0.09 -2.08 -0.15 0.00 -0.22 0.00 0.00 33.01 30.65 1bbu s GLN 385 CO 0.57 -0.54 1.89 -2.30 -0.25 0.00 0.00 175.29 174.66 1bbu n PRO 386 N -1.58 1.02 -4.13 2.91 -0.02 -1.26 -4.62 135.00 127.32 1bbu n PRO 386 Ca 0.08 0.35 -0.16 0.00 -2.02 0.00 0.00 63.50 61.75 1bbu n PRO 386 Cb 0.53 -2.13 -0.15 0.00 -0.02 0.00 0.00 33.50 31.74 1bbu n PRO 386 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1bbu s THR 387 N 4.70 0.38 -0.21 3.45 2.01 0.41 -1.85 115.64 124.53 1bbu s THR 387 Ca 1.03 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.80 1bbu s THR 387 Cb -1.07 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1bbu s THR 387 CO 0.62 0.12 0.03 -0.36 -0.69 0.00 0.00 174.62 174.35 1bbu s PHE 388 N 0.09 3.08 -0.17 4.92 0.08 0.15 0.11 117.98 126.24 1bbu s PHE 388 Ca -0.01 -0.37 -0.07 0.00 0.12 0.00 0.00 56.93 56.61 1bbu s PHE 388 Cb -0.04 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.24 1bbu s PHE 388 CO -0.00 -0.22 0.05 0.42 -0.10 0.00 0.00 175.22 175.36 1bbu s ILE 389 N 1.10 4.65 0.37 0.64 -1.09 -0.46 -1.04 121.20 125.37 1bbu s ILE 389 Ca 0.03 -0.09 0.08 0.00 -2.23 0.00 0.00 60.65 58.45 1bbu s ILE 389 Cb -0.14 -3.08 -0.07 0.00 -1.58 0.00 0.00 42.46 37.59 1bbu s ILE 389 CO 0.02 0.48 -0.03 0.42 -1.23 0.00 0.00 174.94 174.61 1bbu s THR 390 N 0.24 2.20 -0.32 2.92 -4.23 -0.13 -0.56 115.64 115.76 1bbu s THR 390 Ca 0.03 -2.07 -0.11 0.00 -1.18 0.00 0.00 61.69 58.36 1bbu s THR 390 Cb -0.13 -2.82 0.01 0.00 1.34 0.00 0.00 72.50 70.91 1bbu s THR 390 CO 0.01 -0.11 0.42 -0.62 -0.54 0.00 0.00 174.62 173.77 1bbu n GLU 391 N -0.91 -1.93 -3.85 3.99 1.02 -0.35 -0.73 120.64 117.88 1bbu n GLU 391 Ca -0.05 1.81 -0.36 0.00 -0.02 0.00 0.00 57.16 58.54 1bbu n GLU 391 Cb 0.65 -4.70 -0.06 0.00 -0.02 0.00 0.00 31.44 27.31 1bbu n GLU 391 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1bbu s TYR 392 N -2.14 3.59 0.54 -0.32 1.51 -1.23 -4.39 117.35 114.92 1bbu s TYR 392 Ca 0.17 0.53 -0.20 0.00 -1.01 0.00 0.00 57.07 56.56 1bbu s TYR 392 Cb -0.05 -1.94 -0.07 0.00 -0.11 0.00 0.00 41.96 39.79 1bbu s TYR 392 CO 0.60 0.70 0.91 -2.30 -1.11 0.00 0.00 175.55 174.35 1bbu n PRO 393 N 1.64 0.98 -0.20 -1.71 -0.02 -1.26 -0.90 135.00 133.53 1bbu n PRO 393 Ca -0.17 0.37 -0.03 0.00 -2.02 0.00 0.00 63.50 61.65 1bbu n PRO 393 Cb 0.54 -2.07 0.08 0.00 -0.02 0.00 0.00 33.50 32.03 1bbu n PRO 393 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bbu h ALA 394 N 0.77 0.78 -0.93 3.55 0.00 -1.62 -3.02 119.26 118.79 1bbu h ALA 394 Ca -0.47 0.02 0.25 0.00 0.00 0.00 0.00 54.91 54.71 1bbu h ALA 394 Cb 1.36 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.88 1bbu h ALA 394 CO 0.52 -0.01 0.06 1.49 0.00 0.00 0.00 179.25 181.31 1bbu h GLU 395 N 0.60 0.06 -0.27 0.00 4.81 -1.89 0.62 114.58 118.50 1bbu h GLU 395 Ca 0.26 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1bbu h GLU 395 Cb 0.16 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1bbu h GLU 395 CO -0.17 0.04 0.00 1.33 -0.73 0.00 0.00 179.01 179.48 1bbu n VAL 396 N -5.42 0.35 -3.36 0.32 0.24 -1.14 -4.44 118.33 104.88 1bbu n VAL 396 Ca 0.21 -0.43 -0.26 0.00 -2.04 0.00 0.00 64.34 61.83 1bbu n VAL 396 Cb 0.70 0.33 -0.08 0.00 -1.47 0.00 0.00 33.84 33.32 1bbu n VAL 396 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1bbu n SER 397 N 0.48 1.39 0.12 -1.34 7.64 0.22 -4.98 113.62 117.15 1bbu n SER 397 Ca 0.15 -2.91 0.11 0.00 1.01 0.00 0.00 58.87 57.22 1bbu n SER 397 Cb 0.33 -0.65 0.48 0.00 -1.01 0.00 0.00 64.21 63.37 1bbu n SER 397 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1bbu n PRO 398 N 1.53 0.16 -0.07 1.43 -0.02 -1.25 -2.67 135.00 134.10 1bbu n PRO 398 Ca 0.25 0.46 0.08 0.00 -2.02 0.00 0.00 63.50 62.26 1bbu n PRO 398 Cb 0.47 -1.85 0.11 0.00 -0.02 0.00 0.00 33.50 32.20 1bbu n PRO 398 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1bbu n LEU 399 N -2.17 2.17 -4.51 2.45 4.77 -1.26 -4.87 117.00 113.58 1bbu n LEU 399 Ca 0.01 -2.77 -0.32 0.00 -0.03 0.00 0.00 56.01 52.90 1bbu n LEU 399 Cb 0.18 -0.32 -0.12 0.00 -2.33 0.00 0.00 43.42 40.82 1bbu n LEU 399 CO 0.16 0.64 -0.44 0.00 -1.33 0.00 0.00 177.39 176.43 1bbu s ALA 400 N -2.37 2.77 0.33 -1.18 0.00 -1.09 -2.01 121.76 118.20 1bbu s ALA 400 Ca 0.24 -1.03 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 1bbu s ALA 400 Cb 0.21 -0.98 -0.11 0.00 0.00 0.00 0.00 23.12 22.24 1bbu s ALA 400 CO 0.02 0.58 1.56 -2.13 0.00 0.00 0.00 175.76 175.79 1bbu n ARG 401 N 1.92 2.70 -2.00 0.00 0.63 0.71 -4.52 116.66 116.10 1bbu n ARG 401 Ca -0.16 0.96 -0.34 0.00 -0.92 0.00 0.00 57.85 57.38 1bbu n ARG 401 Cb 0.52 -2.72 0.02 0.00 0.45 0.00 0.00 32.46 30.74 1bbu n ARG 401 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1bbu s ARG 402 N -1.13 3.09 0.21 -0.14 0.52 -1.26 -1.29 118.95 118.95 1bbu s ARG 402 Ca 0.60 1.45 -0.30 0.00 -0.52 0.00 0.00 55.73 56.95 1bbu s ARG 402 Cb -0.49 -1.98 -0.08 0.00 0.52 0.00 0.00 34.95 32.92 1bbu s ARG 402 CO 0.54 -1.03 1.00 1.21 0.02 0.00 0.00 175.30 177.05 1bbu s ASN 403 N -2.30 7.48 0.10 0.23 3.84 -0.47 -4.61 114.94 119.21 1bbu s ASN 403 Ca 0.69 2.00 -0.28 0.00 0.21 0.00 0.00 52.86 55.48 1bbu s ASN 403 Cb -0.21 -2.61 -0.11 0.00 -0.55 0.00 0.00 41.25 37.77 1bbu s ASN 403 CO 0.35 -0.01 1.65 0.44 -2.79 0.00 0.00 177.10 176.74 1bbu h ASP 404 N 4.57 -0.63 0.46 -4.21 3.32 -1.95 -2.85 116.42 115.13 1bbu h ASP 404 Ca -0.45 0.06 -0.20 0.00 0.02 0.00 0.00 57.03 56.46 1bbu h ASP 404 Cb 1.21 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 1bbu h ASP 404 CO 0.69 -0.34 -0.86 0.58 -1.72 0.00 0.00 179.24 177.60 1bbu h VAL 405 N -0.49 1.45 -2.93 -1.35 2.07 -1.98 -3.40 116.25 109.61 1bbu h VAL 405 Ca 0.00 -2.47 -0.58 0.00 0.82 0.00 0.00 66.70 64.47 1bbu h VAL 405 Cb 0.46 2.38 -0.40 0.00 -1.52 0.00 0.00 31.29 32.21 1bbu h VAL 405 CO -0.07 0.73 -0.77 0.21 0.02 0.00 0.00 177.57 177.69 1bbu s ASN 406 N -6.97 3.62 0.59 0.57 2.47 -1.19 -4.99 114.94 109.04 1bbu s ASN 406 Ca -0.04 -2.01 0.29 0.00 0.42 0.00 0.00 52.86 51.52 1bbu s ASN 406 Cb 0.10 -0.75 1.71 0.00 -1.45 0.00 0.00 41.25 40.86 1bbu s ASN 406 CO 0.84 -0.35 2.16 1.55 -3.72 0.00 0.00 177.10 177.58 1bbu h PRO 407 N 7.49 0.00 0.00 0.43 0.13 -1.73 -2.13 132.00 136.19 1bbu h PRO 407 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1bbu h PRO 407 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1bbu h PRO 407 CO 0.42 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.12 1bbu h GLU 408 N 0.00 0.00 -5.72 0.86 4.39 -1.94 -3.42 114.58 108.76 1bbu h GLU 408 Ca 0.05 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.20 1bbu h GLU 408 Cb 0.29 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.80 1bbu h GLU 408 CO -0.00 0.00 -0.68 0.96 -1.16 0.00 0.00 179.01 178.13 1bbu s ILE 409 N -3.49 1.93 0.15 3.13 -4.36 -0.80 -1.70 121.20 116.06 1bbu s ILE 409 Ca 0.01 -2.17 0.10 0.00 -0.26 0.00 0.00 60.65 58.33 1bbu s ILE 409 Cb 0.08 -2.53 -0.04 0.00 1.25 0.00 0.00 42.46 41.22 1bbu s ILE 409 CO 0.32 -0.26 -0.24 0.42 0.24 0.00 0.00 174.94 175.42 1bbu s THR 410 N -2.82 2.16 -0.97 8.37 -4.23 -0.08 -1.37 115.64 116.69 1bbu s THR 410 Ca 0.31 -1.83 -0.20 0.00 -1.18 0.00 0.00 61.69 58.79 1bbu s THR 410 Cb 0.03 -1.95 -0.10 0.00 1.34 0.00 0.00 72.50 71.81 1bbu s THR 410 CO 0.14 -0.05 2.01 0.47 -0.54 0.00 0.00 174.62 176.66 1bbu n ASP 411 N 0.66 2.91 -4.23 3.99 9.92 -0.41 -3.49 116.55 125.90 1bbu n ASP 411 Ca -0.16 -2.73 -0.22 0.00 -0.53 0.00 0.00 54.79 51.16 1bbu n ASP 411 Cb 0.54 -1.28 -0.13 0.00 -0.64 0.00 0.00 41.12 39.62 1bbu n ASP 411 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1bbu s ARG 412 N 4.51 1.02 0.01 -1.24 3.52 -1.26 -1.51 118.95 124.00 1bbu s ARG 412 Ca 0.55 -1.03 -0.02 0.00 -0.13 0.00 0.00 55.73 55.11 1bbu s ARG 412 Cb 0.14 -1.15 -0.01 0.00 -1.56 0.00 0.00 34.95 32.37 1bbu s ARG 412 CO 0.06 0.27 0.01 -0.59 -0.81 0.00 0.00 175.30 174.24 1bbu s PHE 413 N -1.14 0.15 0.33 5.12 -0.12 0.49 -1.21 117.98 121.60 1bbu s PHE 413 Ca 0.03 -0.30 0.08 0.00 -0.05 0.00 0.00 56.93 56.69 1bbu s PHE 413 Cb -0.10 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.14 1bbu s PHE 413 CO 0.03 -0.16 0.13 -1.21 -0.05 0.00 0.00 175.22 173.96 1bbu s GLU 414 N -1.06 2.39 -0.03 1.99 2.02 0.28 -1.33 118.70 122.96 1bbu s GLU 414 Ca -0.12 -1.51 0.01 0.00 0.02 0.00 0.00 54.97 53.37 1bbu s GLU 414 Cb -0.07 -2.19 0.02 0.00 0.10 0.00 0.00 34.13 31.99 1bbu s GLU 414 CO -0.00 0.15 -0.03 0.12 0.02 0.00 0.00 175.26 175.52 1bbu s PHE 415 N -2.40 0.50 -0.04 1.61 5.36 -0.92 -1.36 117.98 120.72 1bbu s PHE 415 Ca 0.37 -0.09 0.02 0.00 -0.96 0.00 0.00 56.93 56.27 1bbu s PHE 415 Cb -0.03 -0.48 0.01 0.00 -0.34 0.00 0.00 43.02 42.17 1bbu s PHE 415 CO 0.23 -0.13 -0.10 -0.06 -1.46 0.00 0.00 175.22 173.69 1bbu s PHE 416 N 0.77 1.18 -0.04 10.12 0.40 0.12 -0.25 117.98 130.27 1bbu s PHE 416 Ca -0.09 -0.36 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1bbu s PHE 416 Cb -0.12 -0.86 0.02 0.00 0.51 0.00 0.00 43.02 42.57 1bbu s PHE 416 CO -0.01 -0.18 -0.04 0.42 0.70 0.00 0.00 175.22 176.11 1bbu s ILE 417 N 0.45 0.49 -0.99 0.64 1.01 -0.29 -0.44 121.20 122.07 1bbu s ILE 417 Ca -0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 1bbu s ILE 417 Cb -0.12 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 41.84 1bbu s ILE 417 CO 0.02 0.20 0.85 0.61 0.00 0.00 0.00 174.94 176.62 1bbu n GLY 418 N 3.88 -0.16 2.68 6.18 0.00 0.51 -2.47 105.19 115.81 1bbu n GLY 418 Ca -0.24 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 1bbu n GLY 418 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bbu n GLY 419 N -1.50 0.64 3.34 -0.02 0.00 0.40 -4.91 105.19 103.14 1bbu n GLY 419 Ca -0.05 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1bbu n GLY 419 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bbu s ARG 420 N -2.20 1.29 -0.37 1.61 0.52 -1.03 -4.40 118.95 114.38 1bbu s ARG 420 Ca 0.00 -1.41 -0.25 0.00 -0.52 0.00 0.00 55.73 53.55 1bbu s ARG 420 Cb 0.00 -1.39 0.01 0.00 0.52 0.00 0.00 34.95 34.10 1bbu s ARG 420 CO 0.00 0.29 0.87 -2.00 0.02 0.00 0.00 175.30 174.48 1bbu s GLU 421 N -2.74 3.81 -0.02 3.54 2.12 -1.26 -1.14 118.70 123.01 1bbu s GLU 421 Ca 0.16 0.49 0.18 0.00 0.36 0.00 0.00 54.97 56.16 1bbu s GLU 421 Cb -0.06 -3.80 -0.28 0.00 0.26 0.00 0.00 34.13 30.25 1bbu s GLU 421 CO 0.07 -0.91 0.43 -0.89 -0.54 0.00 0.00 175.26 173.42 1bbu n ILE 422 N 5.90 0.00 -4.12 -3.70 2.08 0.66 -4.86 119.36 115.32 1bbu n ILE 422 Ca 0.06 -0.39 -0.12 0.00 0.56 0.00 0.00 62.75 62.86 1bbu n ILE 422 Cb 0.48 0.16 -0.07 0.00 -0.75 0.00 0.00 39.64 39.45 1bbu n ILE 422 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1bbu s GLY 423 N -4.00 1.20 -0.28 7.39 0.00 -0.79 -1.90 107.32 108.93 1bbu s GLY 423 Ca -0.06 -1.42 -0.16 0.00 0.00 0.00 0.00 44.72 43.08 1bbu s GLY 423 CO 0.76 -1.09 0.83 0.21 0.00 0.00 0.00 173.10 173.82 1bbu s ASN 424 N -3.14 -0.73 -0.05 1.64 2.47 -0.52 -2.17 114.94 112.44 1bbu s ASN 424 Ca 0.32 1.18 -0.30 0.00 0.42 0.00 0.00 52.86 54.48 1bbu s ASN 424 Cb 0.03 1.30 0.08 0.00 -1.45 0.00 0.00 41.25 41.21 1bbu s ASN 424 CO 0.13 -0.19 0.72 -0.83 -3.72 0.00 0.00 177.10 173.21 1bbu s GLY 425 N 1.45 -0.54 0.17 1.21 0.00 -0.45 0.30 107.32 109.46 1bbu s GLY 425 Ca -0.09 1.34 -0.17 0.00 0.00 0.00 0.00 44.72 45.80 1bbu s GLY 425 CO -0.17 0.89 0.47 -0.11 0.00 0.00 0.00 173.10 174.19 1bbu s PHE 426 N -1.42 -0.13 -0.04 1.90 -0.12 -0.84 -0.38 117.98 116.95 1bbu s PHE 426 Ca -0.09 -0.20 -0.30 0.00 -0.05 0.00 0.00 56.93 56.30 1bbu s PHE 426 Cb -0.00 0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.67 1bbu s PHE 426 CO 0.07 -0.83 1.44 -1.12 -0.05 0.00 0.00 175.22 174.73 1bbu s SER 427 N -2.85 6.82 0.25 1.98 0.01 -0.57 -1.76 113.70 117.58 1bbu s SER 427 Ca 0.07 2.07 -0.30 0.00 1.31 0.00 0.00 55.95 59.10 1bbu s SER 427 Cb 0.00 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.59 1bbu s SER 427 CO -0.06 -0.78 1.38 -1.61 0.41 0.00 0.00 173.24 172.57 1bbu s GLU 428 N 3.04 4.32 -0.28 12.44 0.41 0.94 -0.21 118.70 139.36 1bbu s GLU 428 Ca 0.65 2.21 -0.29 0.00 -0.41 0.00 0.00 54.97 57.13 1bbu s GLU 428 Cb -0.30 -3.13 -0.01 0.00 -1.78 0.00 0.00 34.13 28.91 1bbu s GLU 428 CO 0.25 -0.33 1.39 -1.17 -0.49 0.00 0.00 175.26 174.91 1bbu s LEU 429 N -0.54 3.88 -0.06 1.80 2.96 -0.85 -4.23 118.68 121.64 1bbu s LEU 429 Ca 0.57 1.31 0.11 0.00 -0.22 0.00 0.00 54.13 55.90 1bbu s LEU 429 Cb -0.40 -3.54 0.28 0.00 0.50 0.00 0.00 46.19 43.03 1bbu s LEU 429 CO 0.43 -1.14 1.21 -0.46 -1.32 0.00 0.00 176.35 175.08 1bbu n ASN 430 N 7.88 2.83 -4.42 3.68 6.94 -1.26 -4.90 115.26 126.01 1bbu n ASN 430 Ca 0.16 -2.41 -0.44 0.00 -0.02 0.00 0.00 54.58 51.88 1bbu n ASN 430 Cb 0.46 -0.28 -0.04 0.00 -2.36 0.00 0.00 39.78 37.57 1bbu n ASN 430 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1bbu s ASP 431 N -1.51 6.30 0.27 0.53 -1.08 -1.26 -4.72 116.67 115.20 1bbu s ASP 431 Ca 0.23 -1.42 -0.01 0.00 -0.52 0.00 0.00 52.55 50.84 1bbu s ASP 431 Cb 0.17 -2.37 0.48 0.00 -1.46 0.00 0.00 42.92 39.73 1bbu s ASP 431 CO 0.08 -1.23 1.85 0.00 0.52 0.00 0.00 175.17 176.39 1bbu h ALA 432 N 9.23 1.43 -0.39 3.66 0.00 -1.90 0.98 119.26 132.28 1bbu h ALA 432 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1bbu h ALA 432 Cb 1.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1bbu h ALA 432 CO 1.13 0.31 -0.02 0.93 0.00 0.00 0.00 179.25 181.60 1bbu h GLU 433 N 1.06 0.62 0.04 0.00 5.08 -1.94 -0.91 114.58 118.53 1bbu h GLU 433 Ca 0.46 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.55 1bbu h GLU 433 Cb 0.34 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1bbu h GLU 433 CO -0.22 0.66 -0.50 0.22 -1.00 0.00 0.00 179.01 178.16 1bbu h ASP 434 N 0.59 0.38 -0.91 1.42 3.58 -1.79 -2.98 116.42 116.70 1bbu h ASP 434 Ca 0.12 -0.84 0.14 0.00 0.42 0.00 0.00 57.03 56.88 1bbu h ASP 434 Cb 0.40 -0.12 -0.09 0.00 1.72 0.00 0.00 39.33 41.24 1bbu h ASP 434 CO 0.02 1.17 0.52 -0.61 -2.88 0.00 0.00 179.24 177.46 1bbu h GLN 435 N -0.37 0.73 -0.28 0.28 5.75 -0.60 0.68 115.11 121.31 1bbu h GLN 435 Ca -0.07 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.26 1bbu h GLN 435 Cb 1.28 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.66 1bbu h GLN 435 CO 0.10 0.49 -0.33 0.00 -2.65 0.00 0.00 178.83 176.43 1bbu h ALA 436 N 1.56 0.90 -0.39 3.38 0.00 -1.23 -2.57 119.26 120.92 1bbu h ALA 436 Ca 0.49 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1bbu h ALA 436 Cb 0.63 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1bbu h ALA 436 CO -0.33 0.63 -0.32 0.37 0.00 0.00 0.00 179.25 179.59 1bbu h GLN 437 N 0.51 0.90 0.00 0.00 5.75 -0.91 -2.48 115.11 118.88 1bbu h GLN 437 Ca 0.06 -0.45 -0.03 0.00 -0.15 0.00 0.00 58.65 58.07 1bbu h GLN 437 Cb 0.82 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.37 1bbu h GLN 437 CO 0.07 1.10 -0.16 0.00 -2.65 0.00 0.00 178.83 177.20 1bbu h ARG 438 N 0.72 0.00 -0.32 1.69 3.08 -0.90 -1.37 114.38 117.28 1bbu h ARG 438 Ca 0.07 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 1bbu h ARG 438 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1bbu h ARG 438 CO 0.08 0.16 -0.04 0.74 -1.07 0.00 0.00 179.97 179.84 1bbu h PHE 439 N 0.00 0.66 -0.90 3.04 0.04 -1.19 0.46 116.94 119.05 1bbu h PHE 439 Ca -0.00 -0.13 0.04 0.00 2.80 0.00 0.00 57.97 60.68 1bbu h PHE 439 Cb 0.28 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 1bbu h PHE 439 CO 0.00 0.75 0.59 -0.07 -0.60 0.00 0.00 178.31 178.97 1bbu h LEU 440 N 0.39 0.96 0.61 1.54 3.38 -0.94 0.30 115.31 121.56 1bbu h LEU 440 Ca 0.09 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1bbu h LEU 440 Cb 0.51 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1bbu h LEU 440 CO 0.02 0.66 -0.29 0.44 0.09 0.00 0.00 178.44 179.36 1bbu h ASP 441 N 1.12 -0.69 -0.94 -0.43 3.32 -0.91 0.59 116.42 118.47 1bbu h ASP 441 Ca 0.36 0.02 0.15 0.00 0.02 0.00 0.00 57.03 57.57 1bbu h ASP 441 Cb 0.03 0.18 -0.09 0.00 0.22 0.00 0.00 39.33 39.66 1bbu h ASP 441 CO -0.11 -0.49 0.55 1.56 -1.72 0.00 0.00 179.24 179.04 1bbu h GLN 442 N -0.83 0.77 -0.24 3.56 1.08 -0.29 0.82 115.11 119.98 1bbu h GLN 442 Ca -0.08 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 56.99 1bbu h GLN 442 Cb 0.63 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1bbu h GLN 442 CO 0.14 0.51 -0.19 0.28 -0.95 0.00 0.00 178.83 178.61 1bbu h VAL 443 N 0.79 1.24 -0.12 -0.54 2.07 -0.19 -1.08 116.25 118.42 1bbu h VAL 443 Ca 0.51 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1bbu h VAL 443 Cb 0.66 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1bbu h VAL 443 CO -0.33 0.35 -0.03 0.00 0.02 0.00 0.00 177.57 177.59 1bbu h ALA 444 N 1.41 0.16 -0.62 1.67 0.00 0.14 -2.17 119.26 119.85 1bbu h ALA 444 Ca 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1bbu h ALA 444 Cb 0.56 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1bbu h ALA 444 CO 0.04 -0.10 0.37 0.00 0.00 0.00 0.00 179.25 179.56 1bbu h ALA 445 N 0.70 1.48 0.02 0.00 0.00 -0.93 0.58 119.26 121.10 1bbu h ALA 445 Ca 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bbu h ALA 445 Cb 0.44 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1bbu h ALA 445 CO 0.01 0.45 -0.01 -0.22 0.00 0.00 0.00 179.25 179.48 1bbu h LYS 446 N 0.86 -0.02 -0.07 0.00 3.64 -1.10 -0.75 116.57 119.13 1bbu h LYS 446 Ca 0.22 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1bbu h LYS 446 Cb -0.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1bbu h LYS 446 CO -0.04 0.16 -0.06 -0.44 -2.27 0.00 0.00 179.45 176.80 1bbu h ASP 447 N -0.20 0.09 0.57 4.20 3.32 -1.02 -2.75 116.42 120.63 1bbu h ASP 447 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1bbu h ASP 447 Cb 0.19 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1bbu h ASP 447 CO 0.00 0.17 -0.01 0.00 -1.72 0.00 0.00 179.24 177.69 1bbu n ALA 448 N -2.51 2.50 0.00 3.45 0.00 0.16 -4.88 120.51 119.23 1bbu n ALA 448 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1bbu n ALA 448 Cb 0.18 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1bbu n ALA 448 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bbu n GLY 449 N 1.29 0.87 3.50 0.00 0.00 -0.84 -4.57 105.19 105.45 1bbu n GLY 449 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1bbu n GLY 449 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bbu s ASP 450 N -0.65 6.20 0.00 1.61 -1.08 -0.35 -4.88 116.67 117.52 1bbu s ASP 450 Ca 0.00 -0.67 0.10 0.00 -0.52 0.00 0.00 52.55 51.46 1bbu s ASP 450 Cb 0.00 -2.48 0.54 0.00 -1.46 0.00 0.00 42.92 39.51 1bbu s ASP 450 CO 0.00 -1.58 1.16 -0.90 0.52 0.00 0.00 175.17 174.37 1bbu n ASP 451 N 8.39 0.00 -0.37 -0.34 5.75 -1.26 -2.25 116.55 126.47 1bbu n ASP 451 Ca -0.00 0.01 0.04 0.00 -0.01 0.00 0.00 54.79 54.83 1bbu n ASP 451 Cb 0.47 -0.20 0.06 0.00 -1.03 0.00 0.00 41.12 40.42 1bbu n ASP 451 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1bbu n GLU 452 N -1.20 1.29 -1.24 0.11 1.02 -1.26 -3.73 120.64 115.63 1bbu n GLU 452 Ca 0.06 -1.36 -0.30 0.00 -0.02 0.00 0.00 57.16 55.54 1bbu n GLU 452 Cb 0.07 -1.17 0.14 0.00 -0.02 0.00 0.00 31.44 30.46 1bbu n GLU 452 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bbu s ALA 453 N -0.80 1.55 0.33 0.62 0.00 -0.95 -2.92 121.76 119.59 1bbu s ALA 453 Ca 0.12 -0.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.85 1bbu s ALA 453 Cb 0.07 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 1bbu s ALA 453 CO 0.10 -2.35 0.71 -1.64 0.00 0.00 0.00 175.76 172.58 1bbu s MET 454 N -4.96 3.88 0.41 0.00 -1.94 -1.26 -4.76 119.30 110.68 1bbu s MET 454 Ca 0.63 0.51 -0.15 0.00 -1.71 0.00 0.00 55.69 54.97 1bbu s MET 454 Cb -0.18 -2.46 -0.08 0.00 2.01 0.00 0.00 34.83 34.12 1bbu s MET 454 CO 0.57 0.12 0.84 -0.06 -0.01 0.00 0.00 175.02 176.48 1bbu s PHE 455 N -2.08 3.41 0.19 -0.03 0.40 -1.26 -3.60 117.98 115.02 1bbu s PHE 455 Ca 0.52 1.29 -0.30 0.00 -0.60 0.00 0.00 56.93 57.84 1bbu s PHE 455 Cb -0.10 -2.62 -0.08 0.00 0.51 0.00 0.00 43.02 40.72 1bbu s PHE 455 CO 0.23 -0.12 1.14 -0.47 0.70 0.00 0.00 175.22 176.71 1bbu s TYR 456 N -2.29 3.52 -0.45 0.36 6.14 -1.26 -4.95 117.35 118.41 1bbu s TYR 456 Ca 0.56 1.54 0.03 0.00 0.64 0.00 0.00 57.07 59.83 1bbu s TYR 456 Cb -0.10 -3.34 0.13 0.00 0.42 0.00 0.00 41.96 39.07 1bbu s TYR 456 CO 0.24 -0.86 0.23 0.34 0.64 0.00 0.00 175.55 176.15 1bbu s ASP 457 N -0.11 3.86 0.14 4.32 -1.08 -1.26 -5.01 116.67 117.54 1bbu s ASP 457 Ca 0.50 -2.68 -0.25 0.00 -0.52 0.00 0.00 52.55 49.61 1bbu s ASP 457 Cb -0.31 -1.20 -0.01 0.00 -1.46 0.00 0.00 42.92 39.94 1bbu s ASP 457 CO 0.37 -0.27 1.62 -0.08 0.52 0.00 0.00 175.17 177.33 1bbu h GLU 458 N 6.74 -0.33 -0.82 4.34 4.81 -2.00 -1.54 114.58 125.78 1bbu h GLU 458 Ca -0.03 0.02 0.24 0.00 -0.13 0.00 0.00 59.36 59.46 1bbu h GLU 458 Cb 0.92 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 1bbu h GLU 458 CO 0.54 -0.22 0.59 0.22 -0.73 0.00 0.00 179.01 179.41 1bbu h ASP 459 N -0.35 0.00 0.10 1.04 1.82 -1.99 -0.95 116.42 116.09 1bbu h ASP 459 Ca 0.11 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.58 1bbu h ASP 459 Cb 0.51 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.54 1bbu h ASP 459 CO -0.35 0.00 -0.71 0.22 -1.61 0.00 0.00 179.24 176.79 1bbu h TYR 460 N 0.00 0.53 -0.80 0.28 3.20 -1.71 -2.07 116.97 116.40 1bbu h TYR 460 Ca 0.39 -0.36 0.12 0.00 3.14 0.00 0.00 58.73 62.03 1bbu h TYR 460 Cb 1.58 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 39.73 1bbu h TYR 460 CO 0.00 1.25 0.41 0.28 -1.64 0.00 0.00 178.16 178.45 1bbu h VAL 461 N -0.34 0.78 0.09 1.81 2.07 -0.76 -0.99 116.25 118.91 1bbu h VAL 461 Ca -0.12 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1bbu h VAL 461 Cb 1.52 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1bbu h VAL 461 CO 0.14 0.11 -0.04 0.74 0.02 0.00 0.00 177.57 178.54 1bbu h THR 462 N 0.62 0.95 -0.93 2.57 2.02 -1.25 -0.45 112.91 116.45 1bbu h THR 462 Ca 0.42 -0.13 0.14 0.00 0.77 0.00 0.00 66.41 67.62 1bbu h THR 462 Cb 0.53 1.03 -0.08 0.00 -1.74 0.00 0.00 68.15 67.89 1bbu h THR 462 CO -0.33 0.03 0.59 0.00 0.37 0.00 0.00 175.52 176.19 1bbu h ALA 463 N 0.73 1.75 -0.35 6.16 0.00 -0.59 0.46 119.26 127.43 1bbu h ALA 463 Ca -0.01 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1bbu h ALA 463 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1bbu h ALA 463 CO 0.02 -0.01 -0.20 -0.07 0.00 0.00 0.00 179.25 178.99 1bbu h LEU 464 N 0.76 0.78 -1.67 0.00 3.38 -0.79 -3.01 115.31 114.76 1bbu h LEU 464 Ca 0.47 -0.42 0.16 0.00 0.09 0.00 0.00 57.88 58.18 1bbu h LEU 464 Cb 0.69 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1bbu h LEU 464 CO -0.23 1.03 0.50 -0.33 0.09 0.00 0.00 178.44 179.49 1bbu h GLU 465 N 0.53 0.31 0.00 1.13 5.08 0.77 0.90 114.58 123.30 1bbu h GLU 465 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1bbu h GLU 465 Cb 0.75 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1bbu h GLU 465 CO 0.06 0.21 0.00 0.72 -1.00 0.00 0.00 179.01 178.99 1bbu n HIS 466 N -4.45 0.51 0.00 4.33 8.25 -0.79 -4.94 115.22 118.12 1bbu n HIS 466 Ca 0.14 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1bbu n HIS 466 Cb 0.58 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.89 1bbu n HIS 466 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bbu n GLY 467 N 0.36 1.45 3.43 -1.41 0.00 0.31 -5.07 105.19 104.26 1bbu n GLY 467 Ca 0.04 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 1bbu n GLY 467 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bbu s LEU 468 N 0.00 3.32 1.06 0.99 2.96 -1.23 -4.59 118.68 121.18 1bbu s LEU 468 Ca 0.00 -0.23 -0.12 0.00 -0.22 0.00 0.00 54.13 53.56 1bbu s LEU 468 Cb 0.00 -1.87 0.20 0.00 0.50 0.00 0.00 46.19 45.02 1bbu s LEU 468 CO 0.00 0.00 0.92 -2.65 -1.32 0.00 0.00 176.35 173.30 1bbu n PRO 469 N 4.68 -1.46 -2.13 0.98 -0.02 -1.26 -4.85 135.00 130.94 1bbu n PRO 469 Ca -0.17 -0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 60.52 1bbu n PRO 469 Cb 0.51 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 1bbu n PRO 469 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1bbu s PRO 470 N -4.34 4.34 0.06 0.52 0.02 -1.26 -4.88 135.00 129.47 1bbu s PRO 470 Ca 0.66 2.16 -0.09 0.00 0.02 0.00 0.00 61.00 63.75 1bbu s PRO 470 Cb -0.23 -3.15 -0.00 0.00 0.02 0.00 0.00 34.50 31.14 1bbu s PRO 470 CO 0.63 -0.31 0.18 0.99 -0.33 0.00 0.00 177.00 178.16 1bbu s THR 471 N -0.03 0.13 -0.08 0.99 2.01 -1.26 0.12 115.64 117.52 1bbu s THR 471 Ca 0.57 -1.06 0.04 0.00 0.31 0.00 0.00 61.69 61.55 1bbu s THR 471 Cb -0.39 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.02 1bbu s THR 471 CO 0.41 -0.59 -0.20 0.00 -0.69 0.00 0.00 174.62 173.56 1bbu s ALA 472 N -3.15 1.83 0.08 7.40 0.00 -0.61 -0.04 121.76 127.27 1bbu s ALA 472 Ca -0.00 -0.79 0.10 0.00 0.00 0.00 0.00 51.96 51.26 1bbu s ALA 472 Cb 0.02 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1bbu s ALA 472 CO -0.07 0.26 -0.25 0.20 0.00 0.00 0.00 175.76 175.90 1bbu s GLY 473 N 0.32 1.51 -0.06 0.00 0.00 -0.72 -1.55 107.32 106.82 1bbu s GLY 473 Ca -0.14 -1.34 0.01 0.00 0.00 0.00 0.00 44.72 43.25 1bbu s GLY 473 CO 0.06 -1.27 -0.08 -2.27 0.00 0.00 0.00 173.10 169.54 1bbu s LEU 474 N -1.64 1.44 -0.00 0.66 2.96 0.18 -1.98 118.68 120.30 1bbu s LEU 474 Ca 0.13 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 1bbu s LEU 474 Cb -0.10 -0.65 -0.03 0.00 0.50 0.00 0.00 46.19 45.90 1bbu s LEU 474 CO 0.05 -0.02 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.11 1bbu s GLY 475 N 0.90 1.66 -0.06 7.98 0.00 0.15 -1.07 107.32 116.88 1bbu s GLY 475 Ca -0.11 -1.05 -0.02 0.00 0.00 0.00 0.00 44.72 43.54 1bbu s GLY 475 CO 0.01 -0.90 0.11 -0.42 0.00 0.00 0.00 173.10 171.90 1bbu s ILE 476 N -0.92 -0.12 -0.56 0.90 1.01 -0.16 -1.44 121.20 119.92 1bbu s ILE 476 Ca 0.15 0.27 -0.28 0.00 0.00 0.00 0.00 60.65 60.80 1bbu s ILE 476 Cb -0.11 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.16 1bbu s ILE 476 CO 0.05 0.11 1.53 -0.83 0.00 0.00 0.00 174.94 175.81 1bbu s GLY 477 N 1.59 0.74 0.19 6.18 0.00 -0.80 -1.53 107.32 113.70 1bbu s GLY 477 Ca -0.04 -0.62 -0.11 0.00 0.00 0.00 0.00 44.72 43.95 1bbu s GLY 477 CO -0.05 2.96 1.79 -2.22 0.00 0.00 0.00 173.10 175.58 1bbu h ILE 478 N 6.50 1.22 0.44 0.90 1.08 -1.37 -2.23 117.51 124.05 1bbu h ILE 478 Ca -0.27 -0.61 -0.02 0.00 -0.39 0.00 0.00 64.86 63.57 1bbu h ILE 478 Cb 1.11 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 1bbu h ILE 478 CO 1.18 0.26 -0.28 0.44 -0.69 0.00 0.00 178.15 179.05 1bbu h ASP 479 N 0.94 -0.70 -0.39 1.72 3.32 -1.90 -1.52 116.42 117.88 1bbu h ASP 479 Ca 0.23 0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.40 1bbu h ASP 479 Cb 0.10 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1bbu h ASP 479 CO -0.03 -0.44 0.27 0.03 -1.72 0.00 0.00 179.24 177.35 1bbu h ARG 480 N -0.69 0.22 -0.51 3.56 3.08 -1.91 -0.02 114.38 118.11 1bbu h ARG 480 Ca -0.05 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 1bbu h ARG 480 Cb 0.57 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1bbu h ARG 480 CO 0.05 0.14 -0.02 1.98 -1.07 0.00 0.00 179.97 181.04 1bbu h MET 481 N 0.22 0.91 -0.29 0.04 4.05 -0.77 -2.71 114.93 116.38 1bbu h MET 481 Ca 0.18 -0.30 -0.04 0.00 -0.28 0.00 0.00 59.70 59.26 1bbu h MET 481 Cb 0.41 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 1bbu h MET 481 CO -0.03 0.95 0.04 0.28 0.23 0.00 0.00 176.91 178.38 1bbu h VAL 482 N 0.77 1.23 -0.41 -5.77 2.07 -0.07 -2.36 116.25 111.71 1bbu h VAL 482 Ca 0.14 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 66.89 1bbu h VAL 482 Cb 0.55 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 1bbu h VAL 482 CO 0.03 0.26 -0.45 0.24 0.02 0.00 0.00 177.57 177.68 1bbu h MET 483 N 0.30 -0.25 -0.17 1.57 2.07 -1.04 0.51 114.93 117.93 1bbu h MET 483 Ca 0.09 0.02 0.05 0.00 -2.07 0.00 0.00 59.70 57.78 1bbu h MET 483 Cb 0.35 0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 30.13 1bbu h MET 483 CO 0.01 -0.16 0.28 -0.07 1.07 0.00 0.00 176.91 178.03 1bbu h LEU 484 N -0.26 0.00 0.00 1.22 3.38 -1.40 0.77 115.31 119.02 1bbu h LEU 484 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1bbu h LEU 484 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1bbu h LEU 484 CO -0.52 0.00 -1.11 0.49 0.09 0.00 0.00 178.44 177.39 1bbu n PHE 485 N -3.44 0.94 0.06 1.13 3.01 0.15 -4.29 117.46 115.02 1bbu n PHE 485 Ca 0.01 0.28 0.02 0.00 1.01 0.00 0.00 57.45 58.77 1bbu n PHE 485 Cb 0.39 -0.97 0.04 0.00 -0.01 0.00 0.00 39.48 38.92 1bbu n PHE 485 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1bbu n THR 486 N -2.70 0.46 -1.82 4.37 -2.24 0.49 -5.00 114.28 107.83 1bbu n THR 486 Ca -0.02 -0.73 -0.13 0.00 -2.27 0.00 0.00 64.05 60.90 1bbu n THR 486 Cb 0.60 0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 69.61 1bbu n THR 486 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1bbu n ASN 487 N 0.07 -4.33 -4.82 3.42 2.85 0.18 -4.99 115.26 107.63 1bbu n ASN 487 Ca 0.03 0.15 -0.34 0.00 -0.11 0.00 0.00 54.58 54.32 1bbu n ASN 487 Cb 0.20 -3.26 -0.07 0.00 1.24 0.00 0.00 39.78 37.90 1bbu n ASN 487 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1bbu s SER 488 N -2.63 6.98 -0.02 1.20 0.01 -0.98 -4.83 113.70 113.43 1bbu s SER 488 Ca 0.00 1.56 0.03 0.00 1.31 0.00 0.00 55.95 58.85 1bbu s SER 488 Cb 0.00 -2.48 0.04 0.00 0.21 0.00 0.00 66.02 63.79 1bbu s SER 488 CO 0.00 -0.21 0.95 1.41 0.41 0.00 0.00 173.24 175.80 1bbu n HIS 489 N -0.17 0.00 -3.96 2.43 8.25 -1.26 -4.52 115.22 115.99 1bbu n HIS 489 Ca 0.04 -0.49 -0.11 0.00 -0.26 0.00 0.00 57.72 56.90 1bbu n HIS 489 Cb 0.53 -0.06 -0.12 0.00 1.12 0.00 0.00 29.99 31.45 1bbu n HIS 489 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1bbu s THR 490 N -1.12 0.14 0.40 1.59 -1.32 -1.26 -5.02 115.64 109.05 1bbu s THR 490 Ca 0.05 -0.56 0.13 0.00 -1.21 0.00 0.00 61.69 60.10 1bbu s THR 490 Cb 0.04 -0.21 0.14 0.00 -1.51 0.00 0.00 72.50 70.96 1bbu s THR 490 CO 0.00 -0.27 1.90 -0.29 -2.21 0.00 0.00 174.62 173.76 1bbu h ILE 491 N 4.84 1.20 0.00 5.08 2.10 -1.87 -2.71 117.51 126.15 1bbu h ILE 491 Ca -0.29 -0.95 0.00 0.00 1.08 0.00 0.00 64.86 64.69 1bbu h ILE 491 Cb 1.21 1.49 0.00 0.00 -1.09 0.00 0.00 36.82 38.43 1bbu h ILE 491 CO 0.45 0.27 0.00 0.54 -1.08 0.00 0.00 178.15 178.34 1bbu n ARG 492 N -4.21 0.03 0.02 2.19 1.74 -1.26 -0.71 116.66 114.45 1bbu n ARG 492 Ca -0.02 0.26 0.11 0.00 -0.77 0.00 0.00 57.85 57.43 1bbu n ARG 492 Cb 0.33 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.35 1bbu n ARG 492 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1bbu n ASP 493 N -1.28 0.64 -0.28 0.55 8.00 -1.02 -4.17 116.55 118.99 1bbu n ASP 493 Ca 0.01 -0.30 0.05 0.00 0.71 0.00 0.00 54.79 55.26 1bbu n ASP 493 Cb 0.01 0.59 0.01 0.00 -0.02 0.00 0.00 41.12 41.72 1bbu n ASP 493 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1bbu n VAL 494 N -1.77 0.00 -3.77 2.53 0.24 0.11 -4.86 118.33 110.81 1bbu n VAL 494 Ca 0.03 -0.44 -0.37 0.00 -2.04 0.00 0.00 64.34 61.52 1bbu n VAL 494 Cb 0.39 1.14 -0.12 0.00 -1.47 0.00 0.00 33.84 33.78 1bbu n VAL 494 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1bbu s ILE 495 N -1.09 3.60 0.48 1.34 1.01 -1.11 -5.00 121.20 120.42 1bbu s ILE 495 Ca 0.09 -1.37 0.32 0.00 0.00 0.00 0.00 60.65 59.69 1bbu s ILE 495 Cb 0.08 -3.14 0.52 0.00 0.01 0.00 0.00 42.46 39.93 1bbu s ILE 495 CO 0.19 -0.30 1.71 -0.07 0.00 0.00 0.00 174.94 176.47 1bbu h LEU 496 N 8.17 0.18 -6.16 2.97 3.38 -1.91 -3.15 115.31 118.80 1bbu h LEU 496 Ca -0.21 0.06 -0.57 0.00 0.09 0.00 0.00 57.88 57.25 1bbu h LEU 496 Cb 1.07 0.04 -0.38 0.00 0.09 0.00 0.00 40.66 41.48 1bbu h LEU 496 CO 0.63 -0.03 -1.04 0.49 0.09 0.00 0.00 178.44 178.57 1bbu n PHE 497 N -4.40 -0.67 -1.10 1.13 3.01 -1.26 -4.77 117.46 109.40 1bbu n PHE 497 Ca 0.32 -3.42 -0.34 0.00 1.01 0.00 0.00 57.45 55.02 1bbu n PHE 497 Cb 1.33 -0.05 0.12 0.00 -0.01 0.00 0.00 39.48 40.88 1bbu n PHE 497 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1bbu n PRO 498 N 2.08 0.16 -2.61 -1.08 -0.02 -1.19 -4.91 135.00 127.43 1bbu n PRO 498 Ca 0.25 0.13 -0.43 0.00 -2.02 0.00 0.00 63.50 61.43 1bbu n PRO 498 Cb 0.51 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1bbu n PRO 498 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bbu s ALA 499 N -2.12 3.50 -0.12 3.55 0.00 -1.26 -4.96 121.76 120.34 1bbu s ALA 499 Ca 0.72 -0.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.60 1bbu s ALA 499 Cb -0.29 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.11 1bbu s ALA 499 CO 0.52 -1.49 0.13 -1.64 0.00 0.00 0.00 175.76 173.29 1bbu s MET 500 N 3.69 3.48 0.21 0.00 -1.94 -1.26 -5.00 119.30 118.48 1bbu s MET 500 Ca 0.47 -0.15 -0.30 0.00 -1.71 0.00 0.00 55.69 54.00 1bbu s MET 500 Cb -0.13 -3.19 -0.09 0.00 2.01 0.00 0.00 34.83 33.42 1bbu s MET 500 CO 0.16 0.74 1.41 -0.98 -0.01 0.00 0.00 175.02 176.34 1bbu s ARG 501 N -0.92 4.30 0.00 2.03 3.03 -1.26 -5.17 118.95 120.97 1bbu s ARG 501 Ca 0.14 2.22 0.00 0.00 2.03 0.00 0.00 55.73 60.12 1bbu s ARG 501 Cb -0.12 -3.15 0.00 0.00 -1.03 0.00 0.00 34.95 30.65 1bbu s ARG 501 CO 0.03 -0.40 0.40 -2.30 -1.13 0.00 0.00 175.30 171.91