#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e9t h PHE 441 N 0.00 0.00 -3.80 4.31 0.04 -1.96 -3.44 116.94 112.09 3e9t h PHE 441 Ca 0.00 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.30 3e9t h PHE 441 Cb 0.00 0.00 -0.31 0.00 2.20 0.00 0.00 35.95 37.84 3e9t h PHE 441 CO 0.00 0.15 -0.80 0.42 -0.60 0.00 0.00 178.31 177.48 3e9t s ILE 442 N -3.16 0.98 0.05 -0.55 1.01 -1.20 -0.91 121.20 117.42 3e9t s ILE 442 Ca 0.05 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.32 3e9t s ILE 442 Cb 0.06 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.65 3e9t s ILE 442 CO 0.71 0.30 -0.23 -0.13 0.00 0.00 0.00 174.94 175.59 3e9t s ARG 443 N 0.20 1.52 0.03 2.79 1.81 0.05 -1.31 118.95 124.04 3e9t s ARG 443 Ca -0.04 -1.00 0.04 0.00 -1.72 0.00 0.00 55.73 53.00 3e9t s ARG 443 Cb -0.10 -1.66 -0.02 0.00 -0.45 0.00 0.00 34.95 32.72 3e9t s ARG 443 CO 0.01 0.42 -0.12 -1.64 -0.68 0.00 0.00 175.30 173.30 3e9t s MET 444 N -1.21 0.78 0.07 3.54 -1.94 -1.14 -0.47 119.30 118.93 3e9t s MET 444 Ca 0.09 -0.67 -0.27 0.00 -1.71 0.00 0.00 55.69 53.14 3e9t s MET 444 Cb -0.09 -0.74 0.09 0.00 2.01 0.00 0.00 34.83 36.10 3e9t s MET 444 CO 0.02 0.18 0.85 1.52 -0.01 0.00 0.00 175.02 177.58 3e9t s TYR 445 N -0.83 -0.32 0.23 -0.03 -0.85 -1.06 -1.24 117.35 113.24 3e9t s TYR 445 Ca -0.01 0.13 -0.30 0.00 -0.52 0.00 0.00 57.07 56.37 3e9t s TYR 445 Cb -0.07 0.57 -0.09 0.00 0.38 0.00 0.00 41.96 42.75 3e9t s TYR 445 CO 0.01 -0.68 1.12 -0.06 -1.52 0.00 0.00 175.55 174.42 3e9t s PHE 446 N -3.28 3.55 -0.27 -3.49 0.40 -0.34 -0.83 117.98 113.72 3e9t s PHE 446 Ca 0.06 1.62 -0.01 0.00 -0.60 0.00 0.00 56.93 57.99 3e9t s PHE 446 Cb -0.01 -3.31 0.16 0.00 0.51 0.00 0.00 43.02 40.36 3e9t s PHE 446 CO -0.07 -0.69 0.46 -2.00 0.70 0.00 0.00 175.22 173.62 3e9t s GLU 447 N -0.89 0.43 0.69 0.44 2.12 -0.37 -3.96 118.70 117.17 3e9t s GLU 447 Ca 0.48 0.65 -0.17 0.00 0.36 0.00 0.00 54.97 56.29 3e9t s GLU 447 Cb -0.31 -0.11 0.02 0.00 0.26 0.00 0.00 34.13 33.99 3e9t s GLU 447 CO 0.38 -0.69 1.26 -2.14 -0.54 0.00 0.00 175.26 173.54 3e9t s PRO 448 N 2.66 2.29 0.14 4.30 0.02 -1.26 -4.42 135.00 138.74 3e9t s PRO 448 Ca 0.15 1.94 0.24 0.00 0.02 0.00 0.00 61.00 63.35 3e9t s PRO 448 Cb -0.15 -1.83 0.21 0.00 0.02 0.00 0.00 34.50 32.75 3e9t s PRO 448 CO -0.19 -1.76 1.21 0.78 -0.33 0.00 0.00 177.00 176.71 3e9t h GLY 449 N 0.11 0.00 -5.39 0.52 0.00 -1.91 -3.43 103.07 92.96 3e9t h GLY 449 Ca -0.49 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.35 3e9t h GLY 449 CO 0.51 0.00 -0.81 -1.58 0.00 0.00 0.00 176.54 174.66 3e9t s HIS 450 N -3.23 1.27 -0.13 5.60 5.65 -1.26 -0.88 115.29 122.30 3e9t s HIS 450 Ca 0.04 -0.33 -0.00 0.00 0.25 0.00 0.00 55.06 55.02 3e9t s HIS 450 Cb 0.12 -0.87 0.03 0.00 -1.18 0.00 0.00 32.58 30.68 3e9t s HIS 450 CO 0.75 -0.12 -0.09 0.71 -0.65 0.00 0.00 174.74 175.34 3e9t s TYR 451 N 0.08 1.73 -0.14 3.88 2.02 0.32 -4.96 117.35 120.28 3e9t s TYR 451 Ca -0.02 -0.96 -0.29 0.00 -0.37 0.00 0.00 57.07 55.43 3e9t s TYR 451 Cb -0.09 -1.35 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 3e9t s TYR 451 CO 0.01 -0.58 1.11 0.99 -1.57 0.00 0.00 175.55 175.51 3e9t s THR 452 N 1.63 4.52 0.03 -0.71 2.01 -1.26 -0.23 115.64 121.63 3e9t s THR 452 Ca 0.04 1.83 0.03 0.00 0.31 0.00 0.00 61.69 63.90 3e9t s THR 452 Cb -0.13 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 3e9t s THR 452 CO -0.09 -0.07 -0.10 0.68 -0.69 0.00 0.00 174.62 174.35 3e9t s VAL 453 N 2.65 0.79 0.32 3.82 -7.23 -0.06 -4.99 120.40 115.69 3e9t s VAL 453 Ca 0.50 -0.86 -0.27 0.00 -1.81 0.00 0.00 61.98 59.54 3e9t s VAL 453 Cb -0.20 -0.74 -0.09 0.00 0.56 0.00 0.00 36.38 35.90 3e9t s VAL 453 CO 0.15 -0.09 0.99 -0.04 -0.31 0.00 0.00 175.10 175.80 3e9t s MET 454 N -1.06 4.56 0.51 4.82 -1.94 -1.26 -0.76 119.30 124.15 3e9t s MET 454 Ca -0.02 1.49 0.23 0.00 -1.71 0.00 0.00 55.69 55.68 3e9t s MET 454 Cb -0.07 -2.91 1.32 0.00 2.01 0.00 0.00 34.83 35.18 3e9t s MET 454 CO 0.01 0.22 1.98 1.49 -0.01 0.00 0.00 175.02 178.70 3e9t h GLU 455 N 3.33 0.09 -0.59 2.03 4.81 -1.61 -1.09 114.58 121.55 3e9t h GLU 455 Ca -0.47 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3e9t h GLU 455 Cb 1.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3e9t h GLU 455 CO 0.65 0.06 0.00 0.27 -0.73 0.00 0.00 179.01 179.26 3e9t n ASN 456 N -4.40 3.32 0.28 1.04 6.94 -1.26 -4.01 115.26 117.17 3e9t n ASN 456 Ca 0.11 -2.27 0.17 0.00 -0.02 0.00 0.00 54.58 52.58 3e9t n ASN 456 Cb 0.60 -0.46 0.72 0.00 -2.36 0.00 0.00 39.78 38.28 3e9t n ASN 456 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3e9t n GLY 458 N -0.06 1.67 3.37 0.00 0.00 -1.26 -4.77 105.19 104.14 3e9t n GLY 458 Ca 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 3e9t n GLY 458 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3e9t s GLU 459 N 0.00 0.94 0.07 1.61 2.12 -1.26 -0.95 118.70 121.22 3e9t s GLU 459 Ca 0.00 -0.15 -0.04 0.00 0.36 0.00 0.00 54.97 55.14 3e9t s GLU 459 Cb 0.00 0.43 -0.03 0.00 0.26 0.00 0.00 34.13 34.79 3e9t s GLU 459 CO 0.00 -0.31 0.06 -0.59 -0.54 0.00 0.00 175.26 173.87 3e9t s PHE 460 N -1.95 0.41 -0.15 5.30 -0.71 -0.65 -4.95 117.98 115.29 3e9t s PHE 460 Ca -0.08 -0.91 -0.07 0.00 -1.04 0.00 0.00 56.93 54.83 3e9t s PHE 460 Cb -0.01 -0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.48 3e9t s PHE 460 CO 0.02 -0.45 0.08 -2.00 -1.34 0.00 0.00 175.22 171.53 3e9t s GLU 461 N -3.91 3.68 0.07 1.99 2.12 -1.26 -1.25 118.70 120.14 3e9t s GLU 461 Ca 0.07 -0.28 0.06 0.00 0.36 0.00 0.00 54.97 55.18 3e9t s GLU 461 Cb 0.07 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 3e9t s GLU 461 CO -0.10 0.49 -0.10 0.08 -0.54 0.00 0.00 175.26 175.10 3e9t s VAL 462 N -0.23 3.40 -0.04 3.70 1.01 0.47 -4.96 120.40 123.75 3e9t s VAL 462 Ca 0.09 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 60.98 3e9t s VAL 462 Cb -0.12 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.73 3e9t s VAL 462 CO 0.01 0.22 -0.08 -0.60 0.00 0.00 0.00 175.10 174.65 3e9t s ARG 463 N -1.88 1.06 -0.05 2.72 3.52 -1.26 -1.45 118.95 121.60 3e9t s ARG 463 Ca 0.19 -0.26 0.06 0.00 -0.13 0.00 0.00 55.73 55.60 3e9t s ARG 463 Cb -0.11 -0.97 -0.01 0.00 -1.56 0.00 0.00 34.95 32.30 3e9t s ARG 463 CO 0.11 0.03 -0.25 0.08 -0.81 0.00 0.00 175.30 174.47 3e9t s VAL 464 N 0.51 2.12 -0.00 7.11 1.01 -0.23 -1.23 120.40 129.69 3e9t s VAL 464 Ca -0.08 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 60.88 3e9t s VAL 464 Cb -0.12 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 3e9t s VAL 464 CO 0.01 0.57 -0.09 0.54 0.00 0.00 0.00 175.10 176.13 3e9t s VAL 465 N -0.29 3.48 -0.16 2.92 0.11 -0.01 -0.93 120.40 125.52 3e9t s VAL 465 Ca 0.00 -0.80 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 3e9t s VAL 465 Cb -0.13 -2.49 0.00 0.00 -1.53 0.00 0.00 36.38 32.24 3e9t s VAL 465 CO 0.02 0.42 -0.15 -0.60 -3.33 0.00 0.00 175.10 171.46 3e9t s ARG 466 N -1.30 3.19 0.20 1.54 3.00 0.28 -2.56 118.95 123.28 3e9t s ARG 466 Ca 0.16 -0.76 0.07 0.00 -1.00 0.00 0.00 55.73 54.20 3e9t s ARG 466 Cb -0.11 -2.63 -0.05 0.00 0.00 0.00 0.00 34.95 32.16 3e9t s ARG 466 CO 0.06 -0.03 -0.12 1.03 0.00 0.00 0.00 175.30 176.24 3e9t s ARG 467 N 0.92 1.28 1.26 5.12 1.81 0.38 -4.66 118.95 125.07 3e9t s ARG 467 Ca -0.03 -1.57 0.00 0.00 -1.72 0.00 0.00 55.73 52.40 3e9t s ARG 467 Cb -0.15 -0.98 0.00 0.00 -0.45 0.00 0.00 34.95 33.38 3e9t s ARG 467 CO -0.02 0.13 0.00 0.41 -0.68 0.00 0.00 175.30 175.14 3e9t n GLY 468 N -0.35 0.98 3.71 -3.53 0.00 -1.26 -0.77 105.19 103.97 3e9t n GLY 468 Ca -0.08 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 3e9t n GLY 468 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3e9t s ASP 469 N -4.00 6.97 0.09 1.61 2.15 -0.08 -4.98 116.67 118.43 3e9t s ASP 469 Ca 0.00 2.09 0.23 0.00 0.43 0.00 0.00 52.55 55.30 3e9t s ASP 469 Cb 0.00 -2.57 0.12 0.00 -0.30 0.00 0.00 42.92 40.16 3e9t s ASP 469 CO 0.00 -0.57 1.10 -0.38 -0.17 0.00 0.00 175.17 175.15 3e9t n ILE 470 N 4.15 0.30 0.00 4.11 -0.00 -1.26 -4.64 119.36 122.01 3e9t n ILE 470 Ca 0.11 -0.31 0.00 0.00 -0.00 0.00 0.00 62.75 62.54 3e9t n ILE 470 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.09 3e9t n ILE 470 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 3e9t n SER 471 N -2.14 0.00 -4.56 4.38 3.41 -1.26 -0.00 113.62 113.45 3e9t n SER 471 Ca 0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.39 3e9t n SER 471 Cb 0.46 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.32 3e9t n SER 471 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3e9t s THR 472 N -0.94 2.78 0.18 6.66 -4.23 -1.26 -4.64 115.64 114.19 3e9t s THR 472 Ca 0.00 -2.17 -0.30 0.00 -1.18 0.00 0.00 61.69 58.04 3e9t s THR 472 Cb 0.00 -2.58 -0.08 0.00 1.34 0.00 0.00 72.50 71.18 3e9t s THR 472 CO 0.00 -0.34 1.31 -0.47 -0.54 0.00 0.00 174.62 174.57 3e9t s TYR 473 N -2.46 3.27 0.15 3.99 5.04 -1.26 -3.88 117.35 122.20 3e9t s TYR 473 Ca 0.31 1.20 -0.04 0.00 -2.44 0.00 0.00 57.07 56.11 3e9t s TYR 473 Cb -0.04 -3.59 -0.03 0.00 0.35 0.00 0.00 41.96 38.65 3e9t s TYR 473 CO 0.17 -1.88 0.15 0.00 -1.34 0.00 0.00 175.55 172.65 3e9t s ALA 474 N 0.28 0.55 0.17 3.97 0.00 -0.35 -5.00 121.76 121.37 3e9t s ALA 474 Ca 0.58 -1.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.14 3e9t s ALA 474 Cb -0.36 0.89 0.01 0.00 0.00 0.00 0.00 23.12 23.66 3e9t s ALA 474 CO 0.37 -0.55 0.42 -1.54 0.00 0.00 0.00 175.76 174.45 3e9t s SER 475 N -3.02 -0.14 -0.01 0.00 1.04 -1.26 -0.34 113.70 109.97 3e9t s SER 475 Ca 0.22 -0.61 -0.21 0.00 0.48 0.00 0.00 55.95 55.83 3e9t s SER 475 Cb 0.06 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.73 3e9t s SER 475 CO 0.02 -0.97 0.47 0.54 0.98 0.00 0.00 173.24 174.27 3e9t s VAL 476 N -3.90 0.04 0.23 5.02 0.11 -0.79 -0.99 120.40 120.12 3e9t s VAL 476 Ca 0.11 -0.30 0.03 0.00 -2.93 0.00 0.00 61.98 58.89 3e9t s VAL 476 Cb 0.01 -0.84 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 3e9t s VAL 476 CO -0.03 -0.16 0.38 -1.61 -3.33 0.00 0.00 175.10 170.35 3e9t s GLU 477 N -1.61 3.46 0.04 1.54 2.02 0.44 -0.40 118.70 124.20 3e9t s GLU 477 Ca -0.10 -0.57 -0.00 0.00 0.02 0.00 0.00 54.97 54.31 3e9t s GLU 477 Cb -0.02 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.31 3e9t s GLU 477 CO 0.04 0.40 -0.03 1.52 0.02 0.00 0.00 175.26 177.21 3e9t s TYR 478 N -1.96 0.45 -0.11 1.61 1.13 -0.62 -1.02 117.35 116.83 3e9t s TYR 478 Ca 0.36 -0.85 -0.13 0.00 -1.41 0.00 0.00 57.07 55.04 3e9t s TYR 478 Cb -0.10 -0.33 0.03 0.00 -1.10 0.00 0.00 41.96 40.47 3e9t s TYR 478 CO 0.30 -0.29 0.34 -1.83 -2.51 0.00 0.00 175.55 171.57 3e9t s GLU 479 N -2.96 0.45 0.71 -3.49 -1.05 -0.66 -1.30 118.70 110.41 3e9t s GLU 479 Ca -0.02 0.38 -0.13 0.00 -0.15 0.00 0.00 54.97 55.05 3e9t s GLU 479 Cb 0.01 0.22 0.03 0.00 -0.44 0.00 0.00 34.13 33.94 3e9t s GLU 479 CO -0.06 -0.07 1.11 0.95 0.95 0.00 0.00 175.26 178.14 3e9t s THR 480 N -0.06 3.19 -0.06 1.83 -4.23 0.38 -1.13 115.64 115.57 3e9t s THR 480 Ca -0.02 0.49 -0.06 0.00 -1.18 0.00 0.00 61.69 60.92 3e9t s THR 480 Cb -0.03 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.84 3e9t s THR 480 CO 0.01 -0.41 0.16 -1.10 -0.54 0.00 0.00 174.62 172.74 3e9t s GLN 481 N -4.39 0.22 0.48 3.99 -0.21 0.16 -4.83 119.66 115.07 3e9t s GLN 481 Ca 0.65 0.17 -0.24 0.00 0.02 0.00 0.00 55.36 55.96 3e9t s GLN 481 Cb -0.20 0.10 -0.07 0.00 1.00 0.00 0.00 33.01 33.85 3e9t s GLN 481 CO 0.47 -0.03 1.34 -0.51 -2.12 0.00 0.00 175.29 174.45 3e9t s ASP 482 N -0.06 5.79 0.00 5.90 1.01 -1.26 -1.48 116.67 126.57 3e9t s ASP 482 Ca -0.01 2.73 0.00 0.00 0.71 0.00 0.00 52.55 55.98 3e9t s ASP 482 Cb -0.02 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.27 3e9t s ASP 482 CO 0.00 -1.22 0.00 0.61 0.21 0.00 0.00 175.17 174.78 3e9t n GLY 483 N 0.63 1.19 0.08 0.21 0.00 -1.15 -4.68 105.19 101.47 3e9t n GLY 483 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 3e9t n GLY 483 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3e9t h THR 484 N 0.00 0.95 -3.84 2.61 1.35 -1.39 -3.46 112.91 109.14 3e9t h THR 484 Ca 0.00 -2.64 -0.48 0.00 -0.55 0.00 0.00 66.41 62.74 3e9t h THR 484 Cb 0.00 2.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.82 3e9t h THR 484 CO 0.00 0.54 0.35 0.00 -0.25 0.00 0.00 175.52 176.16 3e9t s ALA 485 N -2.74 3.26 -0.06 6.62 0.00 -0.10 -4.80 121.76 123.95 3e9t s ALA 485 Ca -0.02 0.57 0.06 0.00 0.00 0.00 0.00 51.96 52.56 3e9t s ALA 485 Cb 0.09 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 3e9t s ALA 485 CO 0.81 0.17 -0.23 -1.12 0.00 0.00 0.00 175.76 175.39 3e9t s SER 486 N -1.45 2.88 0.22 0.00 0.01 -1.26 -4.51 113.70 109.60 3e9t s SER 486 Ca 0.47 -0.48 -0.32 0.00 1.31 0.00 0.00 55.95 56.93 3e9t s SER 486 Cb -0.21 -0.82 -0.13 0.00 0.21 0.00 0.00 66.02 65.07 3e9t s SER 486 CO 0.27 0.22 1.54 0.00 0.41 0.00 0.00 173.24 175.69 3e9t n ALA 487 N 3.01 1.75 0.00 1.44 0.00 -1.26 -1.00 120.51 124.46 3e9t n ALA 487 Ca -0.18 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3e9t n ALA 487 Cb 0.52 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3e9t n ALA 487 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e9t n GLY 488 N 2.78 3.19 0.00 0.00 0.00 0.49 -4.79 105.19 106.86 3e9t n GLY 488 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3e9t n GLY 488 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3e9t n THR 489 N -2.00 0.00 -0.03 2.61 -2.24 -0.76 -4.89 114.28 106.98 3e9t n THR 489 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3e9t n THR 489 Cb 0.00 -0.65 -0.08 0.00 -2.10 0.00 0.00 70.33 67.50 3e9t n THR 489 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3e9t n ASP 490 N -2.28 2.57 -3.77 3.42 9.92 -0.17 -4.72 116.55 121.52 3e9t n ASP 490 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 3e9t n ASP 490 Cb 0.48 1.11 -0.04 0.00 -0.64 0.00 0.00 41.12 42.04 3e9t n ASP 490 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3e9t s PHE 491 N -2.49 -0.08 -0.27 1.24 -0.71 -1.22 -1.07 117.98 113.38 3e9t s PHE 491 Ca -0.04 -0.27 -0.14 0.00 -1.04 0.00 0.00 56.93 55.44 3e9t s PHE 491 Cb 0.05 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 42.23 3e9t s PHE 491 CO 0.42 -0.96 0.33 0.14 -1.34 0.00 0.00 175.22 173.81 3e9t s VAL 492 N -3.89 5.21 0.47 -2.49 -7.23 -0.24 -0.38 120.40 111.85 3e9t s VAL 492 Ca 0.11 0.47 -0.25 0.00 -1.81 0.00 0.00 61.98 60.50 3e9t s VAL 492 Cb -0.01 -3.66 -0.08 0.00 0.56 0.00 0.00 36.38 33.19 3e9t s VAL 492 CO -0.01 0.19 1.40 -0.83 -0.31 0.00 0.00 175.10 175.54 3e9t s GLY 493 N 1.63 2.91 -0.05 2.32 0.00 -1.26 -4.57 107.32 108.29 3e9t s GLY 493 Ca 0.13 1.40 -0.10 0.00 0.00 0.00 0.00 44.72 46.16 3e9t s GLY 493 CO 0.10 1.99 0.23 -1.60 0.00 0.00 0.00 173.10 173.82 3e9t s ARG 494 N -2.53 0.42 -0.01 2.90 3.52 -1.26 -5.03 118.95 116.97 3e9t s ARG 494 Ca 0.63 0.02 -0.01 0.00 -0.13 0.00 0.00 55.73 56.24 3e9t s ARG 494 Cb -0.42 0.19 0.00 0.00 -1.56 0.00 0.00 34.95 33.16 3e9t s ARG 494 CO 0.53 -0.09 0.02 0.21 -0.81 0.00 0.00 175.30 175.16 3e9t s LYS 495 N -0.60 0.04 0.33 5.12 2.20 -1.26 -0.47 119.74 125.09 3e9t s LYS 495 Ca -0.07 -0.01 -0.18 0.00 -0.36 0.00 0.00 55.97 55.35 3e9t s LYS 495 Cb -0.04 0.02 0.03 0.00 -1.51 0.00 0.00 37.83 36.33 3e9t s LYS 495 CO 0.02 -0.01 0.73 0.20 -0.36 0.00 0.00 175.35 175.93 3e9t s GLY 496 N -0.09 0.17 -0.14 5.54 0.00 -0.42 -5.00 107.32 107.38 3e9t s GLY 496 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.16 3e9t s GLY 496 CO -0.00 -0.23 -0.15 -2.27 0.00 0.00 0.00 173.10 170.45 3e9t s LEU 497 N -3.00 2.51 -0.33 0.66 2.96 -1.26 -1.59 118.68 118.63 3e9t s LEU 497 Ca 0.14 -0.44 -0.12 0.00 -0.22 0.00 0.00 54.13 53.49 3e9t s LEU 497 Cb -0.05 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 3e9t s LEU 497 CO 0.09 0.11 0.22 -0.76 -1.32 0.00 0.00 176.35 174.69 3e9t s LEU 498 N 0.66 4.39 -0.18 -0.68 1.02 0.47 -4.99 118.68 119.37 3e9t s LEU 498 Ca -0.08 -0.41 -0.08 0.00 0.02 0.00 0.00 54.13 53.58 3e9t s LEU 498 Cb -0.16 -2.11 -0.05 0.00 0.02 0.00 0.00 46.19 43.90 3e9t s LEU 498 CO 0.02 -0.21 0.10 -0.44 0.02 0.00 0.00 176.35 175.85 3e9t s SER 499 N 1.70 6.01 -0.51 2.29 0.01 -1.26 -1.88 113.70 120.07 3e9t s SER 499 Ca 0.06 0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.57 3e9t s SER 499 Cb -0.17 -2.02 0.13 0.00 0.21 0.00 0.00 66.02 64.16 3e9t s SER 499 CO 0.10 0.22 0.25 -0.36 0.41 0.00 0.00 173.24 173.85 3e9t s PHE 500 N 0.13 3.04 1.09 2.43 0.40 0.54 -4.93 117.98 120.67 3e9t s PHE 500 Ca 0.07 -3.08 -0.12 0.00 -0.60 0.00 0.00 56.93 53.21 3e9t s PHE 500 Cb -0.12 -2.70 0.24 0.00 0.51 0.00 0.00 43.02 40.95 3e9t s PHE 500 CO -0.00 -0.75 1.06 -2.14 0.70 0.00 0.00 175.22 174.09 3e9t s PRO 501 N -0.19 -0.33 0.22 0.24 0.02 -1.26 -1.21 135.00 132.49 3e9t s PRO 501 Ca 0.17 1.05 -0.31 0.00 0.02 0.00 0.00 61.00 61.94 3e9t s PRO 501 Cb -0.26 -1.61 -0.15 0.00 0.02 0.00 0.00 34.50 32.51 3e9t s PRO 501 CO -0.00 -3.39 1.15 -2.30 -0.33 0.00 0.00 177.00 172.12 3e9t n PRO 502 N -4.71 1.35 -0.07 5.54 -0.02 -1.25 -1.86 135.00 133.98 3e9t n PRO 502 Ca 0.06 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3e9t n PRO 502 Cb 0.54 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3e9t n PRO 502 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3e9t n GLY 503 N 1.77 1.72 3.59 -1.23 0.00 0.99 -4.89 105.19 107.15 3e9t n GLY 503 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3e9t n GLY 503 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3e9t s VAL 504 N -2.69 4.81 -0.27 1.61 -7.23 -0.78 -4.97 120.40 110.89 3e9t s VAL 504 Ca 0.00 -0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.18 3e9t s VAL 504 Cb 0.00 -3.21 0.07 0.00 0.56 0.00 0.00 36.38 33.80 3e9t s VAL 504 CO 0.00 0.39 1.00 -0.90 -0.31 0.00 0.00 175.10 175.28 3e9t n ASP 505 N 4.14 2.09 -3.58 4.85 5.68 -1.26 -4.71 116.55 123.77 3e9t n ASP 505 Ca -0.16 -1.86 -0.12 0.00 -0.50 0.00 0.00 54.79 52.14 3e9t n ASP 505 Cb 0.52 -0.05 -0.05 0.00 -1.14 0.00 0.00 41.12 40.40 3e9t n ASP 505 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 3e9t s GLU 506 N -0.88 1.07 0.01 0.11 -1.05 -1.26 -0.56 118.70 116.14 3e9t s GLU 506 Ca 0.06 -0.43 0.01 0.00 -0.15 0.00 0.00 54.97 54.46 3e9t s GLU 506 Cb 0.03 0.48 -0.01 0.00 -0.44 0.00 0.00 34.13 34.20 3e9t s GLU 506 CO 0.04 -0.41 -0.05 -0.65 0.95 0.00 0.00 175.26 175.14 3e9t s GLN 507 N -3.08 0.39 0.13 -4.83 -1.52 -0.11 -4.97 119.66 105.67 3e9t s GLN 507 Ca -0.02 -0.36 0.10 0.00 -1.95 0.00 0.00 55.36 53.14 3e9t s GLN 507 Cb 0.00 -0.28 -0.04 0.00 -0.22 0.00 0.00 33.01 32.47 3e9t s GLN 507 CO -0.07 0.07 -0.26 1.03 -0.25 0.00 0.00 175.29 175.81 3e9t s ARG 508 N -0.63 1.34 0.12 2.91 0.52 -1.26 -1.06 118.95 120.89 3e9t s ARG 508 Ca -0.03 -1.31 -0.10 0.00 -0.52 0.00 0.00 55.73 53.76 3e9t s ARG 508 Cb -0.05 -1.79 0.00 0.00 0.52 0.00 0.00 34.95 33.64 3e9t s ARG 508 CO -0.00 0.42 0.26 -0.59 0.02 0.00 0.00 175.30 175.41 3e9t s PHE 509 N -1.10 0.15 -0.01 -0.53 -0.71 -0.53 -4.98 117.98 110.27 3e9t s PHE 509 Ca 0.12 -0.54 0.02 0.00 -1.04 0.00 0.00 56.93 55.49 3e9t s PHE 509 Cb -0.10 0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.69 3e9t s PHE 509 CO 0.06 -0.63 -0.05 1.03 -1.34 0.00 0.00 175.22 174.29 3e9t s ARG 510 N -3.88 2.65 -0.08 1.99 0.52 -1.26 -0.40 118.95 118.49 3e9t s ARG 510 Ca 0.08 -0.66 0.04 0.00 -0.52 0.00 0.00 55.73 54.68 3e9t s ARG 510 Cb 0.04 -2.57 -0.01 0.00 0.52 0.00 0.00 34.95 32.93 3e9t s ARG 510 CO -0.08 0.62 -0.22 0.42 0.02 0.00 0.00 175.30 176.06 3e9t s ILE 511 N -0.98 2.31 -0.05 1.52 -1.09 -0.38 -4.96 121.20 117.56 3e9t s ILE 511 Ca 0.17 -0.96 -0.22 0.00 -2.23 0.00 0.00 60.65 57.41 3e9t s ILE 511 Cb -0.11 -1.88 -0.04 0.00 -1.58 0.00 0.00 42.46 38.85 3e9t s ILE 511 CO 0.07 0.56 0.66 -1.61 -1.23 0.00 0.00 174.94 173.39 3e9t s GLU 512 N 0.01 4.41 -0.16 2.79 2.02 -1.26 -1.63 118.70 124.88 3e9t s GLU 512 Ca -0.08 0.82 -0.06 0.00 0.02 0.00 0.00 54.97 55.67 3e9t s GLU 512 Cb -0.15 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 3e9t s GLU 512 CO 0.05 0.16 0.05 0.08 0.02 0.00 0.00 175.26 175.62 3e9t s VAL 513 N 0.50 4.73 -0.25 2.63 1.01 -0.13 -1.08 120.40 127.81 3e9t s VAL 513 Ca 0.35 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.12 3e9t s VAL 513 Cb -0.18 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3e9t s VAL 513 CO 0.17 0.50 0.36 -0.63 0.00 0.00 0.00 175.10 175.51 3e9t s ILE 514 N 0.01 5.20 -1.48 2.22 1.01 -0.24 -4.40 121.20 123.53 3e9t s ILE 514 Ca 0.05 0.56 -0.12 0.00 0.00 0.00 0.00 60.65 61.15 3e9t s ILE 514 Cb -0.12 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.69 3e9t s ILE 514 CO 0.01 0.19 2.41 -0.67 0.00 0.00 0.00 174.94 176.88 3e9t n ASP 515 N 5.06 5.70 -2.55 3.58 4.64 -1.26 -4.69 116.55 127.02 3e9t n ASP 515 Ca -0.09 -2.82 -0.04 0.00 -1.38 0.00 0.00 54.79 50.46 3e9t n ASP 515 Cb 0.51 -1.59 0.08 0.00 -1.04 0.00 0.00 41.12 39.08 3e9t n ASP 515 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 3e9t n GLU 521 N 4.81 0.88 -2.43 -0.67 2.13 -1.26 -5.10 120.64 119.00 3e9t n GLU 521 Ca 0.59 -1.22 -0.30 0.00 0.66 0.00 0.00 57.16 56.89 3e9t n GLU 521 Cb 0.33 0.09 -0.01 0.00 0.27 0.00 0.00 31.44 32.12 3e9t n GLU 521 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3e9t s ASP 522 N -0.82 6.39 0.19 4.31 1.01 -1.26 -5.17 116.67 121.32 3e9t s ASP 522 Ca 0.12 1.25 0.09 0.00 0.71 0.00 0.00 52.55 54.72 3e9t s ASP 522 Cb 0.29 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.80 3e9t s ASP 522 CO -0.07 -0.61 -0.18 -1.61 0.21 0.00 0.00 175.17 172.90 3e9t s GLU 523 N -4.49 1.37 0.07 8.23 0.41 -1.16 -4.99 118.70 118.13 3e9t s GLU 523 Ca 0.53 -1.52 0.02 0.00 -0.41 0.00 0.00 54.97 53.59 3e9t s GLU 523 Cb -0.10 -1.38 -0.03 0.00 -1.78 0.00 0.00 34.13 30.83 3e9t s GLU 523 CO 0.41 0.27 -0.07 0.00 -0.49 0.00 0.00 175.26 175.38 3e9t n PHE 525 N 0.62 -1.15 -4.20 0.00 1.16 -0.24 -0.88 117.46 112.77 3e9t n PHE 525 Ca -0.17 -2.63 -0.12 0.00 -1.87 0.00 0.00 57.45 52.66 3e9t n PHE 525 Cb 0.58 0.44 -0.10 0.00 -1.61 0.00 0.00 39.48 38.79 3e9t n PHE 525 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 3e9t s TYR 526 N -3.11 1.05 -0.03 2.97 1.51 -0.55 -0.72 117.35 118.47 3e9t s TYR 526 Ca 0.35 -1.05 0.01 0.00 -1.01 0.00 0.00 57.07 55.36 3e9t s TYR 526 Cb 0.00 -0.60 0.02 0.00 -0.11 0.00 0.00 41.96 41.28 3e9t s TYR 526 CO 0.25 -0.28 -0.00 0.42 -1.11 0.00 0.00 175.55 174.83 3e9t s ILE 527 N -3.75 0.20 0.05 2.71 1.01 -0.65 -0.66 121.20 120.12 3e9t s ILE 527 Ca 0.21 0.06 0.08 0.00 0.00 0.00 0.00 60.65 61.00 3e9t s ILE 527 Cb 0.06 -0.28 -0.03 0.00 0.01 0.00 0.00 42.46 42.22 3e9t s ILE 527 CO 0.01 0.14 -0.20 0.00 0.00 0.00 0.00 174.94 174.90 3e9t s ARG 528 N 0.94 1.95 0.07 2.79 1.70 -0.28 -0.16 118.95 125.96 3e9t s ARG 528 Ca -0.10 -1.05 -0.16 0.00 -0.47 0.00 0.00 55.73 53.95 3e9t s ARG 528 Cb -0.13 -2.13 -0.06 0.00 -0.57 0.00 0.00 34.95 32.06 3e9t s ARG 528 CO -0.01 0.52 0.52 -0.51 -1.08 0.00 0.00 175.30 174.74 3e9t s LEU 529 N -1.51 4.46 0.21 -1.89 1.43 -0.60 -1.65 118.68 119.13 3e9t s LEU 529 Ca 0.14 1.12 -0.21 0.00 -1.03 0.00 0.00 54.13 54.16 3e9t s LEU 529 Cb -0.10 -2.92 0.04 0.00 0.03 0.00 0.00 46.19 43.24 3e9t s LEU 529 CO 0.05 0.24 0.61 0.72 0.23 0.00 0.00 176.35 178.21 3e9t s PHE 530 N -1.20 -0.29 -1.22 0.29 -0.71 -0.19 -4.97 117.98 109.69 3e9t s PHE 530 Ca 0.30 -0.05 -0.05 0.00 -1.04 0.00 0.00 56.93 56.09 3e9t s PHE 530 Cb -0.17 0.55 -0.01 0.00 -1.21 0.00 0.00 43.02 42.17 3e9t s PHE 530 CO 0.18 -1.00 0.78 0.09 -1.34 0.00 0.00 175.22 173.93 3e9t n ASN 531 N -0.39 -2.95 -4.76 1.98 3.02 -1.26 -0.42 115.26 110.47 3e9t n ASN 531 Ca -0.10 -0.82 -0.39 0.00 -0.03 0.00 0.00 54.58 53.23 3e9t n ASN 531 Cb 0.62 -4.22 0.02 0.00 -0.61 0.00 0.00 39.78 35.59 3e9t n ASN 531 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3e9t s PRO 532 N -5.65 3.65 1.13 3.52 0.04 -1.26 -4.04 135.00 132.39 3e9t s PRO 532 Ca 0.17 2.29 -0.16 0.00 0.04 0.00 0.00 61.00 63.35 3e9t s PRO 532 Cb -0.04 -2.59 0.25 0.00 0.04 0.00 0.00 34.50 32.16 3e9t s PRO 532 CO 0.80 -0.80 1.08 -1.54 0.04 0.00 0.00 177.00 176.58 3e9t s SER 533 N -0.68 1.48 0.26 6.66 1.04 -0.16 -4.83 113.70 117.47 3e9t s SER 533 Ca 0.62 0.98 -0.31 0.00 0.48 0.00 0.00 55.95 57.72 3e9t s SER 533 Cb -0.41 -1.48 -0.12 0.00 0.10 0.00 0.00 66.02 64.11 3e9t s SER 533 CO 0.52 -3.82 1.60 1.21 0.98 0.00 0.00 173.24 173.73 3e9t n GLU 534 N -4.60 2.59 -0.60 4.02 2.13 -1.26 -1.70 120.64 121.22 3e9t n GLU 534 Ca 0.08 0.93 0.00 0.00 0.66 0.00 0.00 57.16 58.83 3e9t n GLU 534 Cb 0.58 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.59 3e9t n GLU 534 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3e9t n GLY 535 N 2.62 1.39 3.74 8.31 0.00 -1.26 -5.03 105.19 114.95 3e9t n GLY 535 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3e9t n GLY 535 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3e9t s VAL 536 N -3.45 4.70 -0.09 1.61 -7.23 -0.69 -3.22 120.40 112.03 3e9t s VAL 536 Ca 0.00 -0.10 0.04 0.00 -1.81 0.00 0.00 61.98 60.11 3e9t s VAL 536 Cb 0.00 -3.01 -0.00 0.00 0.56 0.00 0.00 36.38 33.93 3e9t s VAL 536 CO 0.00 0.60 -0.23 -0.75 -0.31 0.00 0.00 175.10 174.40 3e9t s LYS 537 N -0.82 2.87 0.81 4.82 2.20 -0.43 -4.74 119.74 124.46 3e9t s LYS 537 Ca 0.13 -0.85 -0.11 0.00 -0.36 0.00 0.00 55.97 54.77 3e9t s LYS 537 Cb -0.12 -2.21 0.08 0.00 -1.51 0.00 0.00 37.83 34.07 3e9t s LYS 537 CO 0.03 0.20 1.13 -0.51 -0.36 0.00 0.00 175.35 175.83 3e9t s LEU 538 N 0.28 3.03 0.14 5.43 1.43 -1.26 -2.86 118.68 124.86 3e9t s LEU 538 Ca -0.16 2.04 0.04 0.00 -1.03 0.00 0.00 54.13 55.01 3e9t s LEU 538 Cb -0.17 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.46 3e9t s LEU 538 CO 0.08 -2.42 -0.10 0.00 0.23 0.00 0.00 176.35 174.14 3e9t s ALA 539 N -2.65 1.37 0.32 4.21 0.00 -0.37 -4.81 121.76 119.82 3e9t s ALA 539 Ca 0.65 -1.45 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 3e9t s ALA 539 Cb -0.21 0.06 -0.11 0.00 0.00 0.00 0.00 23.12 22.86 3e9t s ALA 539 CO 0.54 -0.11 1.44 0.08 0.00 0.00 0.00 175.76 177.72 3e9t s VAL 540 N -3.28 2.39 -0.15 0.00 1.01 -1.26 -2.61 120.40 116.49 3e9t s VAL 540 Ca 0.15 0.36 -0.27 0.00 0.00 0.00 0.00 61.98 62.22 3e9t s VAL 540 Cb 0.02 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 3e9t s VAL 540 CO -0.00 0.08 0.92 -2.16 0.00 0.00 0.00 175.10 173.93 3e9t s PRO 541 N -1.33 4.34 0.00 2.72 0.04 -1.26 -4.90 135.00 134.61 3e9t s PRO 541 Ca 0.55 1.19 0.19 0.00 0.04 0.00 0.00 61.00 62.97 3e9t s PRO 541 Cb -0.44 -3.57 0.14 0.00 0.04 0.00 0.00 34.50 30.67 3e9t s PRO 541 CO 0.53 -0.36 1.09 0.00 0.04 0.00 0.00 177.00 178.31 3e9t n MET 542 N 5.27 1.66 -4.46 4.56 0.00 -1.07 -1.19 117.12 121.88 3e9t n MET 542 Ca 0.07 -1.58 -0.26 0.00 0.00 0.00 0.00 57.70 55.93 3e9t n MET 542 Cb 0.48 -1.37 -0.17 0.00 0.00 0.00 0.00 33.22 32.17 3e9t n MET 542 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3e9t s ILE 543 N -1.65 1.25 0.05 3.17 1.01 -1.26 -1.56 121.20 122.22 3e9t s ILE 543 Ca 0.22 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.23 3e9t s ILE 543 Cb 0.16 -1.16 -0.06 0.00 0.01 0.00 0.00 42.46 41.41 3e9t s ILE 543 CO 0.26 0.39 0.43 0.00 0.00 0.00 0.00 174.94 176.02 3e9t s ALA 544 N 0.91 3.69 -0.15 9.38 0.00 0.77 -4.92 121.76 131.44 3e9t s ALA 544 Ca -0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 3e9t s ALA 544 Cb -0.15 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 3e9t s ALA 544 CO 0.00 0.51 -0.05 0.99 0.00 0.00 0.00 175.76 177.21 3e9t s THR 545 N -1.26 3.79 -0.16 0.00 2.01 -0.06 -1.63 115.64 118.33 3e9t s THR 545 Ca 0.29 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.91 3e9t s THR 545 Cb -0.15 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.72 3e9t s THR 545 CO 0.16 0.50 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.72 3e9t s VAL 546 N 0.31 1.86 -0.21 3.82 1.01 0.11 -0.52 120.40 126.78 3e9t s VAL 546 Ca -0.04 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 3e9t s VAL 546 Cb -0.14 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3e9t s VAL 546 CO 0.03 0.51 0.04 -0.32 0.00 0.00 0.00 175.10 175.36 3e9t s MET 547 N 1.27 3.72 -0.28 2.72 1.75 0.68 -1.08 119.30 128.09 3e9t s MET 547 Ca 0.03 -0.46 -0.11 0.00 -1.25 0.00 0.00 55.69 53.89 3e9t s MET 547 Cb -0.13 -3.18 -0.05 0.00 2.84 0.00 0.00 34.83 34.31 3e9t s MET 547 CO -0.10 0.03 0.20 0.42 -0.65 0.00 0.00 175.02 174.92 3e9t s ILE 548 N 0.99 5.30 -2.20 10.11 1.01 -0.23 -0.88 121.20 135.30 3e9t s ILE 548 Ca 0.03 0.19 0.18 0.00 0.00 0.00 0.00 60.65 61.05 3e9t s ILE 548 Cb -0.14 -3.54 0.14 0.00 0.01 0.00 0.00 42.46 38.93 3e9t s ILE 548 CO 0.02 0.25 1.06 0.18 0.00 0.00 0.00 174.94 176.45