#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g4d n ASP 441 N 0.00 0.00 -4.62 1.69 8.00 -1.26 -4.41 116.55 115.95 2g4d n ASP 441 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 2g4d n ASP 441 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2g4d n ASP 441 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2g4d s GLU 442 N 0.00 3.49 0.41 -1.24 2.12 -1.26 -4.80 118.70 117.41 2g4d s GLU 442 Ca 0.00 1.91 -0.27 0.00 0.36 0.00 0.00 54.97 56.97 2g4d s GLU 442 Cb 0.00 -4.22 -0.10 0.00 0.26 0.00 0.00 34.13 30.07 2g4d s GLU 442 CO 0.00 -1.68 1.46 0.08 -0.54 0.00 0.00 175.26 174.58 2g4d s VAL 443 N 6.68 2.05 -0.01 3.70 1.01 -1.26 -2.47 120.40 130.09 2g4d s VAL 443 Ca 0.87 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.90 2g4d s VAL 443 Cb -0.30 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 2g4d s VAL 443 CO 0.34 0.01 -0.01 0.18 0.00 0.00 0.00 175.10 175.62 2g4d n LEU 444 N 0.15 2.36 -4.21 3.92 4.77 -0.05 -4.90 117.00 119.05 2g4d n LEU 444 Ca 0.03 -0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 2g4d n LEU 444 Cb 0.40 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.36 2g4d n LEU 444 CO 0.61 0.41 -0.32 -0.94 -1.33 0.00 0.00 177.39 175.82 2g4d s SER 445 N -4.32 0.93 -0.29 -1.43 1.04 -1.10 -5.01 113.70 103.52 2g4d s SER 445 Ca -0.01 -1.17 -0.24 0.00 0.48 0.00 0.00 55.95 55.01 2g4d s SER 445 Cb 0.00 0.17 0.14 0.00 0.10 0.00 0.00 66.02 66.44 2g4d s SER 445 CO 0.02 -0.61 1.12 -0.70 0.98 0.00 0.00 173.24 174.05 2g4d s GLU 446 N -3.95 0.38 -0.01 4.02 2.12 -1.26 -1.89 118.70 118.10 2g4d s GLU 446 Ca 0.23 0.48 -0.24 0.00 0.36 0.00 0.00 54.97 55.80 2g4d s GLU 446 Cb 0.07 0.17 0.08 0.00 0.26 0.00 0.00 34.13 34.70 2g4d s GLU 446 CO 0.02 -0.05 1.08 0.00 -0.54 0.00 0.00 175.26 175.78 2g4d n ALA 447 N 2.31 -3.05 -2.08 6.30 0.00 -0.83 -4.95 120.51 118.21 2g4d n ALA 447 Ca -0.13 -0.69 -0.11 0.00 0.00 0.00 0.00 53.44 52.51 2g4d n ALA 447 Cb 0.56 0.14 -0.02 0.00 0.00 0.00 0.00 19.45 20.14 2g4d n ALA 447 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2g4d n PHE 448 N -0.78 -1.16 -2.69 0.00 3.01 -1.26 0.14 117.46 114.72 2g4d n PHE 448 Ca 0.04 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.32 2g4d n PHE 448 Cb 0.49 -2.44 0.02 0.00 -0.01 0.00 0.00 39.48 37.54 2g4d n PHE 448 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2g4d n ARG 449 N -2.42 -3.09 -4.42 -1.08 3.00 -1.26 -5.00 116.66 102.39 2g4d n ARG 449 Ca -0.12 0.76 -0.21 0.00 -0.00 0.00 0.00 57.85 58.29 2g4d n ARG 449 Cb 0.52 -5.24 -0.10 0.00 0.00 0.00 0.00 32.46 27.63 2g4d n ARG 449 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2g4d s LEU 450 N -5.26 2.35 -0.06 6.15 1.43 0.36 -5.15 118.68 118.50 2g4d s LEU 450 Ca 0.16 -1.26 -0.03 0.00 -1.03 0.00 0.00 54.13 51.97 2g4d s LEU 450 Cb -0.07 -0.50 0.04 0.00 0.03 0.00 0.00 46.19 45.69 2g4d s LEU 450 CO 0.20 -0.46 0.11 0.28 0.23 0.00 0.00 176.35 176.71 2g4d s THR 451 N -3.17 -0.18 -0.21 5.49 -1.32 -1.26 -1.97 115.64 113.02 2g4d s THR 451 Ca 0.32 0.37 -0.10 0.00 -1.21 0.00 0.00 61.69 61.07 2g4d s THR 451 Cb 0.06 -0.22 -0.05 0.00 -1.51 0.00 0.00 72.50 70.78 2g4d s THR 451 CO 0.13 0.15 0.12 -0.63 -2.21 0.00 0.00 174.62 172.18 2g4d s ILE 452 N 2.11 5.21 0.53 5.08 1.09 -0.79 -5.02 121.20 129.40 2g4d s ILE 452 Ca 0.02 0.12 0.07 0.00 -1.10 0.00 0.00 60.65 59.77 2g4d s ILE 452 Cb -0.12 -3.39 0.04 0.00 -1.06 0.00 0.00 42.46 37.93 2g4d s ILE 452 CO -0.04 0.41 0.53 0.42 -0.10 0.00 0.00 174.94 176.15 2g4d s THR 453 N 0.66 2.04 0.32 2.92 -4.23 -1.26 -0.87 115.64 115.23 2g4d s THR 453 Ca 0.07 -1.29 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 2g4d s THR 453 Cb -0.12 -2.33 0.22 0.00 1.34 0.00 0.00 72.50 71.61 2g4d s THR 453 CO 0.01 0.00 1.93 -0.09 -0.54 0.00 0.00 174.62 175.94 2g4d h ARG 454 N 0.61 0.80 -0.90 3.99 2.43 -1.80 -0.95 114.38 118.56 2g4d h ARG 454 Ca -0.35 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 58.73 2g4d h ARG 454 Cb 1.29 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 2g4d h ARG 454 CO 0.51 0.62 0.59 -0.22 -1.51 0.00 0.00 179.97 179.96 2g4d h LYS 455 N 0.81 1.19 0.33 0.20 3.64 -1.88 -1.71 116.57 119.15 2g4d h LYS 455 Ca 0.20 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2g4d h LYS 455 Cb 0.07 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 2g4d h LYS 455 CO -0.03 0.80 -0.16 -0.44 -2.27 0.00 0.00 179.45 177.35 2g4d h ASP 456 N 1.23 -0.38 -1.05 4.20 3.32 -1.74 -3.15 116.42 118.86 2g4d h ASP 456 Ca 0.33 -0.16 0.28 0.00 0.02 0.00 0.00 57.03 57.49 2g4d h ASP 456 Cb -0.13 0.10 -0.09 0.00 0.22 0.00 0.00 39.33 39.42 2g4d h ASP 456 CO -0.07 0.07 0.68 -0.29 -1.72 0.00 0.00 179.24 177.91 2g4d h ILE 457 N -0.95 0.50 0.00 0.35 6.09 -1.15 0.84 117.51 123.19 2g4d h ILE 457 Ca -0.05 -0.13 -0.02 0.00 -1.37 0.00 0.00 64.86 63.30 2g4d h ILE 457 Cb 0.52 0.10 -0.00 0.00 0.47 0.00 0.00 36.82 37.90 2g4d h ILE 457 CO 0.07 0.07 -0.07 1.56 -3.07 0.00 0.00 178.15 176.71 2g4d h GLN 458 N 0.37 0.00 0.00 2.19 4.20 -1.27 -1.51 115.11 119.09 2g4d h GLN 458 Ca 0.60 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.31 2g4d h GLN 458 Cb 1.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.35 2g4d h GLN 458 CO -0.30 0.07 0.00 1.79 -0.67 0.00 0.00 178.83 179.73 2g4d h THR 459 N 0.00 0.00 -0.00 -0.54 1.35 0.72 -1.09 112.91 113.35 2g4d h THR 459 Ca -0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 2g4d h THR 459 Cb 0.29 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2g4d h THR 459 CO 0.01 0.00 -0.03 0.18 -0.25 0.00 0.00 175.52 175.43 2g4d n LEU 460 N -2.99 0.08 0.00 3.87 4.77 -0.57 -3.97 117.00 118.19 2g4d n LEU 460 Ca 0.00 0.26 -0.25 0.00 -0.03 0.00 0.00 56.01 56.00 2g4d n LEU 460 Cb 0.28 -0.29 0.23 0.00 -2.33 0.00 0.00 43.42 41.31 2g4d n LEU 460 CO 0.26 0.02 0.33 -3.20 -1.33 0.00 0.00 177.39 173.46 2g4d n ASN 461 N -1.27 -3.42 -4.59 -1.43 5.15 -0.41 -4.77 115.26 104.52 2g4d n ASN 461 Ca 0.13 -0.78 -0.48 0.00 -0.60 0.00 0.00 54.58 52.85 2g4d n ASN 461 Cb 0.26 -0.82 -0.05 0.00 -0.53 0.00 0.00 39.78 38.64 2g4d n ASN 461 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2g4d n HIS 462 N -5.15 2.02 -0.95 1.20 -0.00 -1.26 -2.61 115.22 108.46 2g4d n HIS 462 Ca 0.12 0.05 0.00 0.00 -0.00 0.00 0.00 57.72 57.89 2g4d n HIS 462 Cb 0.49 -2.64 0.00 0.00 -0.00 0.00 0.00 29.99 27.84 2g4d n HIS 462 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2g4d n LEU 463 N 8.85 0.99 -4.79 0.27 4.77 -1.26 -4.97 117.00 120.86 2g4d n LEU 463 Ca 0.30 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.92 2g4d n LEU 463 Cb 0.31 -2.38 -0.07 0.00 -2.33 0.00 0.00 43.42 38.95 2g4d n LEU 463 CO 0.73 -0.94 0.62 0.20 -1.33 0.00 0.00 177.39 176.66 2g4d s ASN 464 N -2.00 7.21 -0.01 -1.43 0.01 -1.07 -4.77 114.94 112.87 2g4d s ASN 464 Ca 0.00 1.74 -0.30 0.00 -0.71 0.00 0.00 52.86 53.59 2g4d s ASN 464 Cb 0.00 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 2g4d s ASN 464 CO 0.00 -0.12 1.20 0.26 -1.51 0.00 0.00 177.10 176.93 2g4d s TRP 465 N -1.74 3.28 0.72 2.20 0.52 -1.26 -4.72 118.94 117.95 2g4d s TRP 465 Ca 0.52 1.25 -0.12 0.00 0.02 0.00 0.00 56.10 57.76 2g4d s TRP 465 Cb -0.16 -3.42 0.03 0.00 -1.15 0.00 0.00 33.47 28.77 2g4d s TRP 465 CO 0.21 -1.30 1.10 -0.51 0.02 0.00 0.00 176.95 176.47 2g4d s LEU 466 N 1.75 3.19 0.47 2.99 1.43 -1.25 -4.79 118.68 122.47 2g4d s LEU 466 Ca 0.57 1.89 0.06 0.00 -1.03 0.00 0.00 54.13 55.62 2g4d s LEU 466 Cb -0.27 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.41 2g4d s LEU 466 CO 0.25 -1.82 0.25 0.54 0.23 0.00 0.00 176.35 175.80 2g4d s ASN 467 N -3.07 4.52 0.54 2.29 6.03 -1.26 -4.99 114.94 119.01 2g4d s ASN 467 Ca 0.63 -1.16 0.24 0.00 -1.03 0.00 0.00 52.86 51.55 2g4d s ASN 467 Cb -0.18 -0.09 1.44 0.00 -3.03 0.00 0.00 41.25 39.38 2g4d s ASN 467 CO 0.50 -0.77 2.04 -2.24 -2.03 0.00 0.00 177.10 174.60 2g4d h ASP 468 N 1.16 0.00 -0.39 3.54 2.03 -1.99 -2.41 116.42 118.36 2g4d h ASP 468 Ca -0.41 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 55.85 2g4d h ASP 468 Cb 1.28 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.76 2g4d h ASP 468 CO 0.65 0.00 0.07 -0.33 -1.03 0.00 0.00 179.24 178.60 2g4d h GLU 469 N 0.00 0.64 0.33 4.15 4.39 -1.99 -1.17 114.58 120.93 2g4d h GLU 469 Ca 0.17 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2g4d h GLU 469 Cb 0.71 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2g4d h GLU 469 CO -0.00 0.69 -0.16 0.82 -1.16 0.00 0.00 179.01 179.20 2g4d h ILE 470 N 0.49 0.65 -0.28 3.13 1.08 -1.80 -1.66 117.51 119.12 2g4d h ILE 470 Ca 0.12 -0.59 0.06 0.00 -0.39 0.00 0.00 64.86 64.06 2g4d h ILE 470 Cb 0.35 0.94 -0.08 0.00 -3.07 0.00 0.00 36.82 34.96 2g4d h ILE 470 CO 0.01 0.11 -0.33 0.40 -0.69 0.00 0.00 178.15 177.65 2g4d h ILE 471 N -0.79 0.25 -0.37 -0.67 1.08 -1.48 0.19 117.51 115.71 2g4d h ILE 471 Ca -0.04 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.37 2g4d h ILE 471 Cb 0.51 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 2g4d h ILE 471 CO 0.07 0.00 -0.00 0.78 -0.69 0.00 0.00 178.15 178.31 2g4d h ASN 472 N -0.32 0.55 -0.04 1.72 2.35 -1.28 0.11 115.58 118.67 2g4d h ASN 472 Ca 0.14 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2g4d h ASN 472 Cb 0.54 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 2g4d h ASN 472 CO -0.46 0.63 -0.02 0.15 -1.65 0.00 0.00 177.43 176.08 2g4d h PHE 473 N 0.56 0.09 -0.27 1.19 3.57 -0.27 -1.16 116.94 120.64 2g4d h PHE 473 Ca 0.12 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.62 2g4d h PHE 473 Cb 0.36 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 2g4d h PHE 473 CO 0.01 0.46 0.09 -0.92 -2.23 0.00 0.00 178.31 175.73 2g4d h TYR 474 N -0.31 0.17 -0.94 0.41 3.20 -0.51 -0.66 116.97 118.32 2g4d h TYR 474 Ca 0.01 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.02 2g4d h TYR 474 Cb 0.43 -0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.59 2g4d h TYR 474 CO 0.07 0.08 0.60 1.98 -1.64 0.00 0.00 178.16 179.24 2g4d h MET 475 N 0.22 0.81 -0.75 1.82 4.05 -0.73 -0.85 114.93 119.51 2g4d h MET 475 Ca 0.12 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 2g4d h MET 475 Cb 0.09 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.67 2g4d h MET 475 CO -0.13 0.54 0.30 -0.91 0.23 0.00 0.00 176.91 176.94 2g4d h ASN 476 N 0.84 1.02 -0.31 1.39 -0.26 0.17 -2.03 115.58 116.40 2g4d h ASN 476 Ca 0.47 -0.15 -0.06 0.00 -0.56 0.00 0.00 56.30 56.00 2g4d h ASN 476 Cb 0.60 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.57 2g4d h ASN 476 CO -0.23 0.91 0.00 0.24 -1.06 0.00 0.00 177.43 177.29 2g4d h MET 477 N 1.08 0.65 -0.57 0.81 2.86 -0.49 -0.13 114.93 119.14 2g4d h MET 477 Ca 0.25 -0.16 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 2g4d h MET 477 Cb 0.21 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 2g4d h MET 477 CO -0.02 0.67 -0.01 -0.07 1.06 0.00 0.00 176.91 178.54 2g4d h LEU 478 N 0.62 0.97 -0.87 1.22 3.38 -0.93 -0.69 115.31 119.01 2g4d h LEU 478 Ca 0.13 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 2g4d h LEU 478 Cb 0.39 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2g4d h LEU 478 CO 0.01 1.03 -0.56 0.24 0.09 0.00 0.00 178.44 179.25 2g4d h MET 479 N 0.91 0.00 0.63 1.13 2.07 -0.88 -1.17 114.93 117.64 2g4d h MET 479 Ca 0.16 -0.00 -0.03 0.00 -2.07 0.00 0.00 59.70 57.76 2g4d h MET 479 Cb 0.54 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.28 2g4d h MET 479 CO 0.03 0.57 -0.30 1.49 1.07 0.00 0.00 176.91 179.76 2g4d h GLU 480 N 0.00 -0.82 -0.61 1.72 4.57 -0.52 -3.08 114.58 115.85 2g4d h GLU 480 Ca -0.01 0.06 0.16 0.00 -1.18 0.00 0.00 59.36 58.40 2g4d h GLU 480 Cb 1.00 0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 2g4d h GLU 480 CO 0.07 -0.52 0.43 -0.09 -1.18 0.00 0.00 179.01 177.73 2g4d h ARG 481 N -1.16 0.06 0.00 1.92 2.43 -1.12 -1.02 114.38 115.50 2g4d h ARG 481 Ca -0.09 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2g4d h ARG 481 Cb 0.69 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2g4d h ARG 481 CO 0.14 0.04 0.00 -1.13 -1.51 0.00 0.00 179.97 177.51 2g4d n SER 482 N -4.38 0.00 0.12 -3.80 3.41 -0.45 -1.67 113.62 106.86 2g4d n SER 482 Ca 0.11 0.49 -0.02 0.00 -0.26 0.00 0.00 58.87 59.20 2g4d n SER 482 Cb 0.63 -0.50 0.19 0.00 -0.26 0.00 0.00 64.21 64.28 2g4d n SER 482 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2g4d h LYS 483 N 0.00 0.10 -6.70 4.33 1.57 -1.31 -3.38 116.57 111.18 2g4d h LYS 483 Ca 0.00 -0.06 -0.57 0.00 -1.87 0.00 0.00 60.65 58.15 2g4d h LYS 483 Cb 0.01 0.01 0.17 0.00 0.08 0.00 0.00 32.23 32.50 2g4d h LYS 483 CO 0.00 0.62 -0.18 0.39 -0.57 0.00 0.00 179.45 179.71 2g4d n GLU 484 N -3.90 0.55 -2.16 3.15 1.02 -0.67 -4.95 120.64 113.68 2g4d n GLU 484 Ca -0.02 0.23 -0.33 0.00 -0.02 0.00 0.00 57.16 57.02 2g4d n GLU 484 Cb 0.56 -1.94 -0.00 0.00 -0.02 0.00 0.00 31.44 30.04 2g4d n GLU 484 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2g4d s LYS 485 N -2.65 3.45 0.00 3.49 1.02 -1.26 -3.22 119.74 120.57 2g4d s LYS 485 Ca 0.71 1.22 0.00 0.00 0.02 0.00 0.00 55.97 57.92 2g4d s LYS 485 Cb -0.39 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 2g4d s LYS 485 CO 0.52 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 2g4d n GLY 486 N -0.88 1.06 3.32 -3.33 0.00 -1.26 -5.02 105.19 99.08 2g4d n GLY 486 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 2g4d n GLY 486 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g4d s LEU 487 N 0.00 2.35 0.26 0.99 1.43 -1.20 -5.01 118.68 117.50 2g4d s LEU 487 Ca 0.00 -0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 52.05 2g4d s LEU 487 Cb 0.00 -0.92 -0.09 0.00 0.03 0.00 0.00 46.19 45.21 2g4d s LEU 487 CO 0.00 0.05 1.16 -2.84 0.23 0.00 0.00 176.35 174.94 2g4d s PRO 488 N -2.22 4.56 0.33 1.29 0.02 -1.26 -4.89 135.00 132.83 2g4d s PRO 488 Ca 0.11 1.88 -0.28 0.00 0.02 0.00 0.00 61.00 62.72 2g4d s PRO 488 Cb -0.09 -3.19 -0.10 0.00 0.02 0.00 0.00 34.50 31.15 2g4d s PRO 488 CO 0.05 0.07 1.25 -1.54 -0.33 0.00 0.00 177.00 176.50 2g4d s SER 489 N -0.52 6.83 0.03 2.53 1.04 -1.26 -4.72 113.70 117.62 2g4d s SER 489 Ca 0.47 2.56 0.04 0.00 0.48 0.00 0.00 55.95 59.51 2g4d s SER 489 Cb -0.33 -2.64 -0.02 0.00 0.10 0.00 0.00 66.02 63.13 2g4d s SER 489 CO 0.41 -0.48 -0.12 -0.69 0.98 0.00 0.00 173.24 173.34 2g4d s VAL 490 N -1.18 0.96 -0.09 5.02 1.01 -1.26 -1.09 120.40 123.77 2g4d s VAL 490 Ca 0.49 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2g4d s VAL 490 Cb -0.37 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.15 2g4d s VAL 490 CO 0.49 -0.01 -0.07 -2.28 0.00 0.00 0.00 175.10 173.23 2g4d s HIS 491 N -0.80 1.26 -0.12 5.22 2.46 0.25 -4.79 115.29 118.77 2g4d s HIS 491 Ca 0.00 -0.55 -0.02 0.00 0.47 0.00 0.00 55.06 54.96 2g4d s HIS 491 Cb -0.07 -1.07 -0.03 0.00 -0.13 0.00 0.00 32.58 31.28 2g4d s HIS 491 CO 0.01 -0.41 -0.04 0.00 -2.47 0.00 0.00 174.74 171.83 2g4d s ALA 492 N 1.49 3.02 0.35 1.58 0.00 -1.26 -0.17 121.76 126.76 2g4d s ALA 492 Ca -0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 2g4d s ALA 492 Cb -0.13 -1.44 -0.06 0.00 0.00 0.00 0.00 23.12 21.49 2g4d s ALA 492 CO -0.05 0.36 0.66 -0.06 0.00 0.00 0.00 175.76 176.68 2g4d s PHE 493 N -0.12 3.47 0.59 0.00 0.40 -0.46 -4.93 117.98 116.92 2g4d s PHE 493 Ca 0.02 0.85 -0.14 0.00 -0.60 0.00 0.00 56.93 57.06 2g4d s PHE 493 Cb -0.13 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 2g4d s PHE 493 CO 0.03 0.03 1.03 0.54 0.70 0.00 0.00 175.22 177.55 2g4d s ASN 494 N -3.14 6.04 0.00 1.36 2.20 -1.26 -4.44 114.94 115.70 2g4d s ASN 494 Ca 0.48 1.64 0.00 0.00 -0.94 0.00 0.00 52.86 54.04 2g4d s ASN 494 Cb -0.10 -2.51 0.00 0.00 -2.00 0.00 0.00 41.25 36.64 2g4d s ASN 494 CO 0.30 -0.99 0.00 0.35 -2.94 0.00 0.00 177.10 173.83 2g4d n THR 495 N -2.19 0.00 -0.02 0.54 -2.24 -1.26 -1.75 114.28 107.36 2g4d n THR 495 Ca 0.07 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2g4d n THR 495 Cb 0.53 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 2g4d n THR 495 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2g4d n PHE 496 N -0.11 0.00 0.01 4.78 3.01 -1.26 -4.60 117.46 119.29 2g4d n PHE 496 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.40 2g4d n PHE 496 Cb 0.00 -0.29 -0.04 0.00 -0.01 0.00 0.00 39.48 39.14 2g4d n PHE 496 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 2g4d h PHE 497 N 0.00 -0.66 -0.55 1.38 3.57 -1.70 -1.72 116.94 117.26 2g4d h PHE 497 Ca -0.11 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.52 2g4d h PHE 497 Cb 0.96 0.29 -0.09 0.00 2.79 0.00 0.00 35.95 39.90 2g4d h PHE 497 CO 0.00 -0.23 0.01 0.35 -2.23 0.00 0.00 178.31 176.21 2g4d h PHE 498 N -0.26 -0.02 0.19 0.41 3.57 -1.84 0.93 116.94 119.92 2g4d h PHE 498 Ca 0.01 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2g4d h PHE 498 Cb 0.29 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2g4d h PHE 498 CO -0.47 -0.12 -0.10 1.15 -2.23 0.00 0.00 178.31 176.54 2g4d h THR 499 N 0.13 0.79 -0.25 4.41 2.02 -1.86 0.30 112.91 118.46 2g4d h THR 499 Ca 0.28 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.50 2g4d h THR 499 Cb 0.43 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 2g4d h THR 499 CO -0.45 0.00 0.01 0.50 0.37 0.00 0.00 175.52 175.94 2g4d h LYS 500 N -0.27 0.08 -0.08 6.66 1.63 -0.43 0.19 116.57 124.36 2g4d h LYS 500 Ca -0.02 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2g4d h LYS 500 Cb 0.21 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2g4d h LYS 500 CO 0.03 0.05 0.04 1.25 -3.45 0.00 0.00 179.45 177.38 2g4d h LEU 501 N 0.09 0.10 0.09 5.20 5.85 0.12 0.19 115.31 126.94 2g4d h LEU 501 Ca 0.12 -0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.55 2g4d h LEU 501 Cb 0.15 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2g4d h LEU 501 CO -0.19 0.09 -1.39 0.50 -0.34 0.00 0.00 178.44 177.10 2g4d h LYS 502 N 0.11 0.20 0.00 1.25 3.64 0.81 -2.73 116.57 119.86 2g4d h LYS 502 Ca 0.03 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2g4d h LYS 502 Cb 0.02 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2g4d h LYS 502 CO -0.00 1.08 -1.70 0.25 -2.27 0.00 0.00 179.45 176.80 2g4d n THR 503 N -3.43 0.21 0.11 1.00 -2.24 0.55 -4.51 114.28 105.98 2g4d n THR 503 Ca -0.12 -0.52 0.01 0.00 -2.27 0.00 0.00 64.05 61.15 2g4d n THR 503 Cb 1.02 -0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 69.13 2g4d n THR 503 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2g4d n ALA 504 N -2.24 2.30 0.00 6.98 0.00 0.63 -5.07 120.51 123.10 2g4d n ALA 504 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2g4d n ALA 504 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2g4d n ALA 504 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g4d n GLY 505 N 1.05 -0.99 0.22 0.00 0.00 -1.03 -4.34 105.19 100.10 2g4d n GLY 505 Ca 0.00 -1.64 -0.00 0.00 0.00 0.00 0.00 46.02 44.38 2g4d n GLY 505 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2g4d h TYR 506 N 0.00 0.29 0.00 1.61 5.03 -1.91 -1.27 116.97 120.71 2g4d h TYR 506 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2g4d h TYR 506 Cb 0.00 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.24 2g4d h TYR 506 CO 0.00 0.04 0.41 0.37 -1.32 0.00 0.00 178.16 177.66 2g4d h GLN 507 N 0.33 0.00 0.00 1.82 5.75 -1.96 0.92 115.11 121.96 2g4d h GLN 507 Ca 0.29 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 2g4d h GLN 507 Cb 0.39 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.94 2g4d h GLN 507 CO -0.33 0.00 -0.91 0.00 -2.65 0.00 0.00 178.83 174.94 2g4d n ALA 508 N -1.64 3.95 -0.25 3.38 0.00 -0.48 -4.39 120.51 121.08 2g4d n ALA 508 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2g4d n ALA 508 Cb 0.43 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2g4d n ALA 508 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2g4d n VAL 509 N -1.67 0.00 -0.02 0.00 0.24 0.21 -4.78 118.33 112.31 2g4d n VAL 509 Ca 0.03 -0.33 0.24 0.00 -2.04 0.00 0.00 64.34 62.24 2g4d n VAL 509 Cb 0.37 1.25 0.72 0.00 -1.47 0.00 0.00 33.84 34.71 2g4d n VAL 509 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2g4d h LYS 510 N 0.00 0.00 -0.01 7.34 2.10 -1.47 0.18 116.57 124.71 2g4d h LYS 510 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2g4d h LYS 510 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2g4d h LYS 510 CO 0.00 0.00 -0.16 0.54 -2.00 0.00 0.00 179.45 177.83 2g4d n ARG 511 N -3.89 1.20 0.18 0.07 1.74 -1.26 -3.76 116.66 110.94 2g4d n ARG 511 Ca 0.12 -0.72 0.03 0.00 -0.77 0.00 0.00 57.85 56.52 2g4d n ARG 511 Cb 0.79 -1.49 0.35 0.00 -1.02 0.00 0.00 32.46 31.09 2g4d n ARG 511 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 2g4d h TRP 512 N 1.75 0.00 -1.27 -1.55 4.06 -0.99 -2.94 115.95 115.01 2g4d h TRP 512 Ca 0.00 0.00 -0.69 0.00 2.06 0.00 0.00 58.89 60.26 2g4d h TRP 512 Cb 0.52 0.00 -0.30 0.00 -1.00 0.00 0.00 29.16 28.38 2g4d h TRP 512 CO 0.00 0.40 0.72 0.25 -3.56 0.00 0.00 178.44 176.26 2g4d n THR 513 N -3.87 3.48 0.11 1.49 -2.24 -1.25 -4.61 114.28 107.40 2g4d n THR 513 Ca -0.01 -3.49 -0.01 0.00 -2.27 0.00 0.00 64.05 58.26 2g4d n THR 513 Cb 0.46 -1.18 0.03 0.00 -2.10 0.00 0.00 70.33 67.53 2g4d n THR 513 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2g4d h LYS 514 N 2.31 0.00 -0.26 -0.78 3.64 -1.74 -3.31 116.57 116.42 2g4d h LYS 514 Ca 0.57 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.91 2g4d h LYS 514 Cb 0.66 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 2g4d h LYS 514 CO 1.46 0.70 -0.01 1.63 -2.27 0.00 0.00 179.45 180.96 2g4d n LYS 515 N -3.39 2.56 -3.74 1.90 5.02 -1.26 -4.98 118.16 114.27 2g4d n LYS 515 Ca 0.01 -2.88 -0.12 0.00 -2.02 0.00 0.00 58.31 53.29 2g4d n LYS 515 Cb 0.77 -1.81 -0.11 0.00 -0.02 0.00 0.00 35.03 33.86 2g4d n LYS 515 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2g4d s VAL 516 N -2.92 -0.02 -0.74 -0.18 0.11 -1.25 -5.09 120.40 110.31 2g4d s VAL 516 Ca 0.42 0.06 -0.19 0.00 -2.93 0.00 0.00 61.98 59.34 2g4d s VAL 516 Cb 0.35 -0.48 0.12 0.00 -1.53 0.00 0.00 36.38 34.84 2g4d s VAL 516 CO 0.07 0.02 0.90 -0.62 -3.33 0.00 0.00 175.10 172.13 2g4d s ASP 517 N 0.73 6.39 0.32 3.54 2.15 -1.26 -4.89 116.67 123.65 2g4d s ASP 517 Ca -0.05 -1.69 0.08 0.00 0.43 0.00 0.00 52.55 51.32 2g4d s ASP 517 Cb -0.06 -2.34 0.91 0.00 -0.30 0.00 0.00 42.92 41.13 2g4d s ASP 517 CO -0.05 -1.10 1.63 0.58 -0.17 0.00 0.00 175.17 176.06 2g4d h VAL 518 N 5.77 0.22 0.00 1.11 2.07 -1.99 0.79 116.25 124.22 2g4d h VAL 518 Ca -0.10 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2g4d h VAL 518 Cb 1.06 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2g4d h VAL 518 CO 1.08 0.03 0.00 0.49 0.02 0.00 0.00 177.57 179.19 2g4d n PHE 519 N -5.22 0.00 -0.60 1.57 3.01 -1.26 -3.24 117.46 111.73 2g4d n PHE 519 Ca 0.27 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.81 2g4d n PHE 519 Cb 0.86 0.00 0.30 0.00 -0.01 0.00 0.00 39.48 40.63 2g4d n PHE 519 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2g4d n SER 520 N -0.79 4.21 -4.61 4.37 3.41 0.27 -4.94 113.62 115.54 2g4d n SER 520 Ca 0.13 -2.45 -0.28 0.00 -0.26 0.00 0.00 58.87 56.01 2g4d n SER 520 Cb 0.06 -0.50 -0.11 0.00 -0.26 0.00 0.00 64.21 63.40 2g4d n SER 520 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2g4d s VAL 521 N -1.83 1.91 -0.15 -3.33 1.01 -1.20 -5.03 120.40 111.77 2g4d s VAL 521 Ca 0.44 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.44 2g4d s VAL 521 Cb 0.29 -2.96 -0.23 0.00 0.00 0.00 0.00 36.38 33.47 2g4d s VAL 521 CO 0.20 0.00 0.24 0.47 0.00 0.00 0.00 175.10 176.01 2g4d n ASP 522 N -0.95 1.55 -4.05 3.32 8.00 -0.50 -4.79 116.55 119.12 2g4d n ASP 522 Ca -0.05 0.14 -0.23 0.00 0.71 0.00 0.00 54.79 55.35 2g4d n ASP 522 Cb 0.67 -0.34 -0.16 0.00 -0.02 0.00 0.00 41.12 41.27 2g4d n ASP 522 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2g4d s ILE 523 N -2.55 1.07 -0.24 0.53 1.01 -0.25 -1.68 121.20 119.09 2g4d s ILE 523 Ca -0.20 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 2g4d s ILE 523 Cb 0.07 -0.94 -0.00 0.00 0.01 0.00 0.00 42.46 41.60 2g4d s ILE 523 CO 0.75 0.32 -0.01 -0.76 0.00 0.00 0.00 174.94 175.24 2g4d s LEU 524 N 0.21 3.19 -0.16 2.97 1.43 0.55 -0.58 118.68 126.28 2g4d s LEU 524 Ca -0.05 -0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 52.36 2g4d s LEU 524 Cb -0.11 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 2g4d s LEU 524 CO 0.01 -0.07 0.45 -0.76 0.23 0.00 0.00 176.35 176.21 2g4d s LEU 525 N 1.47 4.21 -0.44 1.79 1.43 0.76 -1.18 118.68 126.72 2g4d s LEU 525 Ca 0.04 0.68 0.03 0.00 -1.03 0.00 0.00 54.13 53.85 2g4d s LEU 525 Cb -0.15 -2.62 0.13 0.00 0.03 0.00 0.00 46.19 43.57 2g4d s LEU 525 CO -0.02 -0.05 0.21 -0.69 0.23 0.00 0.00 176.35 176.03 2g4d s VAL 526 N 1.01 1.82 0.47 -1.59 1.01 0.22 -1.36 120.40 121.97 2g4d s VAL 526 Ca 0.23 -2.66 -0.23 0.00 0.00 0.00 0.00 61.98 59.32 2g4d s VAL 526 Cb -0.15 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.87 2g4d s VAL 526 CO 0.09 -0.81 1.21 -2.84 0.00 0.00 0.00 175.10 172.75 2g4d s PRO 527 N 0.34 3.69 -0.06 2.72 0.02 -1.26 -0.79 135.00 139.66 2g4d s PRO 527 Ca 0.16 1.88 0.03 0.00 0.02 0.00 0.00 61.00 63.09 2g4d s PRO 527 Cb -0.24 -2.43 0.01 0.00 0.02 0.00 0.00 34.50 31.86 2g4d s PRO 527 CO -0.03 -0.64 -0.15 0.42 -0.33 0.00 0.00 177.00 176.28 2g4d s ILE 528 N -1.47 1.27 -0.22 2.83 1.01 0.27 -4.69 121.20 120.21 2g4d s ILE 528 Ca 0.64 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 60.62 2g4d s ILE 528 Cb -0.31 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 2g4d s ILE 528 CO 0.38 0.38 0.07 -2.28 0.00 0.00 0.00 174.94 173.49 2g4d s HIS 529 N 0.37 3.15 -0.47 3.97 5.65 -1.26 -0.63 115.29 126.07 2g4d s HIS 529 Ca -0.10 -0.18 0.04 0.00 0.25 0.00 0.00 55.06 55.07 2g4d s HIS 529 Cb -0.14 -2.16 0.43 0.00 -1.18 0.00 0.00 32.58 29.53 2g4d s HIS 529 CO 0.03 -0.11 1.38 1.28 -0.65 0.00 0.00 174.74 176.67 2g4d n LEU 530 N 4.26 5.55 0.00 8.88 4.77 0.42 -4.91 117.00 135.98 2g4d n LEU 530 Ca -0.16 -4.88 0.00 0.00 -0.03 0.00 0.00 56.01 50.94 2g4d n LEU 530 Cb 0.52 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2g4d n LEU 530 CO 0.33 2.03 0.00 0.61 -1.33 0.00 0.00 177.39 179.03 2g4d n GLY 531 N -0.63 1.58 0.23 -0.72 0.00 -1.26 -3.78 105.19 100.61 2g4d n GLY 531 Ca 0.46 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.43 2g4d n GLY 531 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2g4d n VAL 532 N 0.00 0.16 -3.81 1.61 0.24 -1.26 -5.07 118.33 110.20 2g4d n VAL 532 Ca 0.00 -0.19 -0.12 0.00 -2.04 0.00 0.00 64.34 61.99 2g4d n VAL 532 Cb 0.00 0.67 -0.09 0.00 -1.47 0.00 0.00 33.84 32.95 2g4d n VAL 532 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2g4d s HIS 533 N -0.22 -0.11 -0.00 6.34 5.65 -1.25 -5.06 115.29 120.63 2g4d s HIS 533 Ca 0.02 0.18 0.03 0.00 0.25 0.00 0.00 55.06 55.53 2g4d s HIS 533 Cb 0.02 0.04 -0.03 0.00 -1.18 0.00 0.00 32.58 31.42 2g4d s HIS 533 CO 0.00 -0.32 -0.05 -1.58 -0.65 0.00 0.00 174.74 172.14 2g4d s TRP 534 N -1.14 2.93 0.22 3.88 0.52 -1.26 -0.44 118.94 123.65 2g4d s TRP 534 Ca -0.12 -0.01 -0.02 0.00 0.02 0.00 0.00 56.10 55.97 2g4d s TRP 534 Cb -0.06 -1.63 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 2g4d s TRP 534 CO 0.03 0.39 0.19 0.00 0.02 0.00 0.00 176.95 177.58 2g4d s LEU 536 N -3.16 1.70 -0.04 0.00 2.96 -0.91 0.96 118.68 120.19 2g4d s LEU 536 Ca 0.37 -0.04 0.07 0.00 -0.22 0.00 0.00 54.13 54.31 2g4d s LEU 536 Cb 0.05 -0.16 -0.02 0.00 0.50 0.00 0.00 46.19 46.57 2g4d s LEU 536 CO 0.13 -0.02 -0.25 0.00 -1.32 0.00 0.00 176.35 174.89 2g4d s ALA 537 N 0.33 2.17 -0.09 5.97 0.00 0.03 0.52 121.76 130.68 2g4d s ALA 537 Ca -0.03 -1.09 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 2g4d s ALA 537 Cb -0.06 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.48 2g4d s ALA 537 CO -0.01 0.48 -0.05 0.08 0.00 0.00 0.00 175.76 176.26 2g4d s VAL 538 N -0.42 0.78 -0.30 0.00 1.01 -0.53 -0.61 120.40 120.33 2g4d s VAL 538 Ca 0.04 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 2g4d s VAL 538 Cb -0.12 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2g4d s VAL 538 CO 0.01 0.32 0.35 -0.69 0.00 0.00 0.00 175.10 175.09 2g4d s VAL 539 N 1.65 5.18 -0.40 2.92 1.01 -0.32 -2.18 120.40 128.26 2g4d s VAL 539 Ca 0.02 0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 2g4d s VAL 539 Cb -0.13 -3.74 0.11 0.00 0.00 0.00 0.00 36.38 32.62 2g4d s VAL 539 CO -0.06 0.05 0.16 -0.62 0.00 0.00 0.00 175.10 174.63 2g4d s ASP 540 N 1.70 5.04 0.62 3.32 -1.08 -0.82 -0.33 116.67 125.12 2g4d s ASP 540 Ca 0.13 -2.16 0.41 0.00 -0.52 0.00 0.00 52.55 50.41 2g4d s ASP 540 Cb -0.16 -1.75 2.13 0.00 -1.46 0.00 0.00 42.92 41.68 2g4d s ASP 540 CO 0.11 -0.46 2.25 -0.26 0.52 0.00 0.00 175.17 177.33 2g4d h PHE 541 N 7.77 0.00 0.19 -5.34 -1.00 -1.61 0.60 116.94 117.55 2g4d h PHE 541 Ca -0.09 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 2g4d h PHE 541 Cb 1.03 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.59 2g4d h PHE 541 CO 0.52 0.00 -0.09 0.00 -1.61 0.00 0.00 178.31 177.13 2g4d h ARG 542 N 0.00 -0.24 0.00 1.51 3.08 -1.93 -3.14 114.38 113.66 2g4d h ARG 542 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2g4d h ARG 542 Cb 0.13 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2g4d h ARG 542 CO 0.00 -0.08 0.00 1.63 -1.07 0.00 0.00 179.97 180.45 2g4d n LYS 543 N -4.94 0.07 -2.57 0.04 5.02 -1.10 -4.88 118.16 109.80 2g4d n LYS 543 Ca -0.04 0.18 -0.21 0.00 -2.02 0.00 0.00 58.31 56.22 2g4d n LYS 543 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 2g4d n LYS 543 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2g4d n LYS 544 N -1.44 -2.58 -4.10 1.97 4.81 0.21 -4.90 118.16 112.12 2g4d n LYS 544 Ca 0.05 0.98 -0.08 0.00 -0.87 0.00 0.00 58.31 58.40 2g4d n LYS 544 Cb 0.19 -5.70 -0.10 0.00 0.02 0.00 0.00 35.03 29.44 2g4d n LYS 544 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2g4d s ASN 545 N -2.24 0.63 -0.28 3.14 2.20 -0.94 -3.02 114.94 114.42 2g4d s ASN 545 Ca 0.09 -0.99 -0.04 0.00 -0.94 0.00 0.00 52.86 50.98 2g4d s ASN 545 Cb -0.04 0.17 0.03 0.00 -2.00 0.00 0.00 41.25 39.41 2g4d s ASN 545 CO 0.11 -0.56 0.01 -0.63 -2.94 0.00 0.00 177.10 173.09 2g4d s ILE 546 N -3.77 3.31 -0.08 0.54 1.01 0.19 -1.94 121.20 120.46 2g4d s ILE 546 Ca 0.07 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.73 2g4d s ILE 546 Cb 0.07 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 2g4d s ILE 546 CO -0.09 0.04 -0.22 0.28 0.00 0.00 0.00 174.94 174.96 2g4d s THR 547 N 1.36 2.33 0.02 2.92 -1.32 -0.93 -2.16 115.64 117.87 2g4d s THR 547 Ca -0.01 -0.95 -0.17 0.00 -1.21 0.00 0.00 61.69 59.35 2g4d s THR 547 Cb -0.18 -1.89 -0.06 0.00 -1.51 0.00 0.00 72.50 68.86 2g4d s THR 547 CO -0.01 0.56 0.50 -0.47 -2.21 0.00 0.00 174.62 172.99 2g4d s TYR 548 N 0.00 3.74 -0.15 9.09 5.04 -0.79 -1.45 117.35 132.84 2g4d s TYR 548 Ca -0.07 1.12 0.01 0.00 -2.44 0.00 0.00 57.07 55.68 2g4d s TYR 548 Cb -0.15 -2.42 0.02 0.00 0.35 0.00 0.00 41.96 39.76 2g4d s TYR 548 CO 0.05 0.56 -0.16 0.71 -1.34 0.00 0.00 175.55 175.37 2g4d s TYR 549 N -0.88 2.31 -0.09 4.97 1.51 0.18 -2.24 117.35 123.12 2g4d s TYR 549 Ca 0.27 -1.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.02 2g4d s TYR 549 Cb -0.18 -1.67 0.02 0.00 -0.11 0.00 0.00 41.96 40.02 2g4d s TYR 549 CO 0.16 -0.70 -0.08 0.34 -1.11 0.00 0.00 175.55 174.16 2g4d s ASP 550 N 1.43 1.84 0.00 2.29 -1.08 -1.26 -2.15 116.67 117.73 2g4d s ASP 550 Ca 0.05 -0.26 0.27 0.00 -0.52 0.00 0.00 52.55 52.09 2g4d s ASP 550 Cb -0.13 -0.75 1.52 0.00 -1.46 0.00 0.00 42.92 42.10 2g4d s ASP 550 CO -0.11 -0.07 1.99 -1.54 0.52 0.00 0.00 175.17 175.96 2g4d n SER 551 N 4.48 0.26 -0.36 -0.34 3.41 -1.26 -3.10 113.62 116.71 2g4d n SER 551 Ca -0.17 -1.21 0.04 0.00 -0.26 0.00 0.00 58.87 57.26 2g4d n SER 551 Cb 0.51 -0.01 0.10 0.00 -0.26 0.00 0.00 64.21 64.55 2g4d n SER 551 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2g4d n MET 552 N -0.74 2.84 -0.99 4.33 2.81 -1.26 -1.49 117.12 122.62 2g4d n MET 552 Ca 0.20 -1.91 0.00 0.00 -1.81 0.00 0.00 57.70 54.18 2g4d n MET 552 Cb 0.14 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 2g4d n MET 552 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2g4d n GLY 553 N -0.08 0.48 3.62 3.03 0.00 -1.18 -5.04 105.19 106.03 2g4d n GLY 553 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2g4d n GLY 553 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2g4d s GLY 554 N -2.00 1.56 -0.09 -0.02 0.00 -1.26 -4.71 107.32 100.80 2g4d s GLY 554 Ca 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 44.72 44.23 2g4d s GLY 554 CO 0.00 0.23 -0.10 1.39 0.00 0.00 0.00 173.10 174.61 2g4d n ILE 555 N -4.44 0.49 -4.21 0.90 -0.00 -1.26 -4.73 119.36 106.11 2g4d n ILE 555 Ca 0.06 -0.14 -0.29 0.00 -0.00 0.00 0.00 62.75 62.37 2g4d n ILE 555 Cb 0.57 -1.34 -0.09 0.00 -0.00 0.00 0.00 39.64 38.79 2g4d n ILE 555 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 2g4d n ASN 556 N -3.17 0.79 0.15 4.38 2.85 -1.26 -4.66 115.26 114.34 2g4d n ASN 556 Ca -0.17 -1.20 0.12 0.00 -0.11 0.00 0.00 54.58 53.23 2g4d n ASN 556 Cb 0.64 -1.49 0.53 0.00 1.24 0.00 0.00 39.78 40.69 2g4d n ASN 556 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 2g4d h ASN 557 N -1.64 0.00 -0.48 1.20 2.35 -1.96 -1.84 115.58 113.20 2g4d h ASN 557 Ca -0.62 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.02 2g4d h ASN 557 Cb 1.31 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.67 2g4d h ASN 557 CO 0.66 0.00 -0.10 -0.08 -1.65 0.00 0.00 177.43 176.26 2g4d h GLU 558 N 0.00 0.96 -0.93 0.81 4.81 -2.00 -2.03 114.58 116.20 2g4d h GLU 558 Ca 0.00 -0.34 0.05 0.00 -0.13 0.00 0.00 59.36 58.94 2g4d h GLU 558 Cb 0.34 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 2g4d h GLU 558 CO 0.00 1.01 0.60 0.00 -0.73 0.00 0.00 179.01 179.89 2g4d h ALA 559 N 1.02 1.27 -0.10 2.92 0.00 -1.70 -0.14 119.26 122.53 2g4d h ALA 559 Ca 0.14 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2g4d h ALA 559 Cb 0.64 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2g4d h ALA 559 CO 0.04 0.40 -0.39 0.00 0.00 0.00 0.00 179.25 179.31 2g4d h ARG 561 N 0.18 0.76 -0.50 0.00 3.08 -0.45 -0.89 114.38 116.56 2g4d h ARG 561 Ca 0.02 -0.46 0.02 0.00 0.07 0.00 0.00 59.98 59.62 2g4d h ARG 561 Cb 0.77 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 2g4d h ARG 561 CO 0.06 1.09 0.31 0.82 -1.07 0.00 0.00 179.97 181.18 2g4d h ILE 562 N 0.59 1.08 -0.28 2.04 2.04 -0.83 -0.92 117.51 121.24 2g4d h ILE 562 Ca 0.02 -0.21 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 2g4d h ILE 562 Cb 1.10 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2g4d h ILE 562 CO 0.11 0.11 -0.26 -0.07 0.00 0.00 0.00 178.15 178.05 2g4d h LEU 563 N 0.62 0.56 -0.69 1.44 3.38 -1.11 -0.07 115.31 119.44 2g4d h LEU 563 Ca 0.19 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2g4d h LEU 563 Cb -0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2g4d h LEU 563 CO -0.07 0.80 -0.53 0.25 0.09 0.00 0.00 178.44 178.98 2g4d h LEU 564 N 0.48 0.37 -0.30 1.67 5.85 -0.86 -0.16 115.31 122.36 2g4d h LEU 564 Ca 0.07 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2g4d h LEU 564 Cb 0.70 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2g4d h LEU 564 CO 0.05 0.83 0.05 -0.61 -0.34 0.00 0.00 178.44 178.42 2g4d h GLN 565 N 0.26 0.50 -0.25 1.25 5.75 -0.82 -1.98 115.11 119.82 2g4d h GLN 565 Ca 0.01 -0.13 0.06 0.00 -0.15 0.00 0.00 58.65 58.43 2g4d h GLN 565 Cb 1.02 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 29.45 2g4d h GLN 565 CO 0.09 0.60 -0.22 -0.92 -2.65 0.00 0.00 178.83 175.73 2g4d h TYR 566 N 0.32 -0.58 -0.71 3.99 3.20 -0.50 0.34 116.97 123.03 2g4d h TYR 566 Ca 0.09 0.04 0.17 0.00 3.14 0.00 0.00 58.73 62.17 2g4d h TYR 566 Cb 0.34 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 2g4d h TYR 566 CO 0.02 -0.30 0.49 -0.07 -1.64 0.00 0.00 178.16 176.67 2g4d h LEU 567 N -0.22 0.20 -0.30 2.82 3.38 -0.77 0.63 115.31 121.04 2g4d h LEU 567 Ca 0.14 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 2g4d h LEU 567 Cb 0.43 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2g4d h LEU 567 CO -0.38 0.10 -0.30 0.11 0.09 0.00 0.00 178.44 178.05 2g4d h LYS 568 N 0.20 0.74 -0.04 1.13 1.57 0.37 -2.37 116.57 118.17 2g4d h LYS 568 Ca 0.35 -0.39 -0.18 0.00 -1.87 0.00 0.00 60.65 58.55 2g4d h LYS 568 Cb 1.07 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 2g4d h LYS 568 CO -0.07 1.01 -0.75 1.96 -0.57 0.00 0.00 179.45 181.03 2g4d h GLN 569 N 0.50 0.29 0.29 3.15 4.20 0.63 -3.21 115.11 120.96 2g4d h GLN 569 Ca 0.05 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 2g4d h GLN 569 Cb 0.88 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2g4d h GLN 569 CO 0.08 0.91 -0.14 0.93 -0.67 0.00 0.00 178.83 179.94 2g4d h GLU 570 N 0.19 -0.38 -0.67 1.46 4.39 -1.02 0.60 114.58 119.15 2g4d h GLU 570 Ca -0.03 0.03 0.19 0.00 0.34 0.00 0.00 59.36 59.89 2g4d h GLU 570 Cb 1.33 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 30.04 2g4d h GLU 570 CO 0.12 -0.09 0.70 1.03 -1.16 0.00 0.00 179.01 179.60 2g4d h SER 571 N -0.65 0.00 0.00 1.42 0.87 -1.49 0.37 113.55 114.06 2g4d h SER 571 Ca -0.04 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.40 2g4d h SER 571 Cb 0.46 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2g4d h SER 571 CO 0.07 0.00 -0.91 -0.38 -0.53 0.00 0.00 176.83 175.07 2g4d n ILE 572 N -3.64 1.48 -0.37 2.23 5.41 -1.08 -1.80 119.36 121.59 2g4d n ILE 572 Ca 0.14 0.09 0.03 0.00 1.00 0.00 0.00 62.75 64.01 2g4d n ILE 572 Cb 0.93 -2.21 0.18 0.00 -0.71 0.00 0.00 39.64 37.83 2g4d n ILE 572 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2g4d h ASP 573 N -1.00 1.03 0.00 4.38 3.58 0.02 -1.93 116.42 122.50 2g4d h ASP 573 Ca -0.18 0.01 -0.43 0.00 0.42 0.00 0.00 57.03 56.85 2g4d h ASP 573 Cb 0.92 -0.21 -0.07 0.00 1.72 0.00 0.00 39.33 41.69 2g4d h ASP 573 CO -0.11 0.65 -2.50 0.29 -2.88 0.00 0.00 179.24 174.69 2g4d n LYS 574 N -4.51 0.61 0.00 0.28 4.76 0.12 -4.62 118.16 114.80 2g4d n LYS 574 Ca 0.16 0.22 0.12 0.00 -2.87 0.00 0.00 58.31 55.94 2g4d n LYS 574 Cb 0.20 -1.51 0.08 0.00 -1.84 0.00 0.00 35.03 31.95 2g4d n LYS 574 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2g4d n LYS 575 N -3.87 1.96 -1.42 1.97 5.02 -1.11 -4.97 118.16 115.74 2g4d n LYS 575 Ca -0.51 -1.62 -0.15 0.00 -2.02 0.00 0.00 58.31 54.01 2g4d n LYS 575 Cb 0.93 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 34.40 2g4d n LYS 575 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2g4d n ARG 576 N 0.90 -1.55 -4.71 1.97 3.00 -0.73 -4.94 116.66 110.60 2g4d n ARG 576 Ca 0.13 0.99 -0.32 0.00 -0.01 0.00 0.00 57.85 58.64 2g4d n ARG 576 Cb 0.55 -5.35 -0.08 0.00 0.00 0.00 0.00 32.46 27.59 2g4d n ARG 576 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2g4d s LYS 577 N -3.25 2.17 -0.19 5.56 -2.85 -0.80 -4.94 119.74 115.44 2g4d s LYS 577 Ca 0.00 -2.35 -0.08 0.00 -1.00 0.00 0.00 55.97 52.54 2g4d s LYS 577 Cb 0.00 -1.57 -0.04 0.00 -2.06 0.00 0.00 37.83 34.16 2g4d s LYS 577 CO 0.00 -0.34 0.07 -2.00 0.10 0.00 0.00 175.35 173.18 2g4d s GLU 578 N -3.88 3.96 0.28 1.78 2.12 -1.26 -2.99 118.70 118.72 2g4d s GLU 578 Ca 0.10 -0.35 -0.30 0.00 0.36 0.00 0.00 54.97 54.78 2g4d s GLU 578 Cb 0.02 -3.25 -0.12 0.00 0.26 0.00 0.00 34.13 31.04 2g4d s GLU 578 CO 0.05 0.22 1.57 0.34 -0.54 0.00 0.00 175.26 176.90 2g4d n PHE 579 N 3.71 2.73 -3.19 5.30 7.35 -1.26 -4.95 117.46 127.16 2g4d n PHE 579 Ca -0.16 0.28 -0.45 0.00 -0.76 0.00 0.00 57.45 56.36 2g4d n PHE 579 Cb 0.52 -2.58 -0.05 0.00 0.35 0.00 0.00 39.48 37.73 2g4d n PHE 579 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2g4d s ASP 580 N 0.47 6.20 0.08 -2.13 3.68 -1.26 -4.89 116.67 118.82 2g4d s ASP 580 Ca 0.65 -1.60 0.20 0.00 2.13 0.00 0.00 52.55 53.93 2g4d s ASP 580 Cb -0.52 -2.27 0.83 0.00 -1.45 0.00 0.00 42.92 39.51 2g4d s ASP 580 CO 0.48 -1.01 1.63 0.35 0.13 0.00 0.00 175.17 176.75 2g4d n THR 581 N 5.41 0.76 -1.57 1.71 -2.24 -1.26 -4.85 114.28 112.24 2g4d n THR 581 Ca -0.10 0.16 -0.54 0.00 -2.27 0.00 0.00 64.05 61.30 2g4d n THR 581 Cb 0.42 -0.92 -0.07 0.00 -2.10 0.00 0.00 70.33 67.65 2g4d n THR 581 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2g4d n ASN 582 N -1.74 2.28 0.00 3.42 4.05 -1.26 -0.15 115.26 121.86 2g4d n ASN 582 Ca 0.04 0.78 0.00 0.00 0.45 0.00 0.00 54.58 55.85 2g4d n ASN 582 Cb 0.23 -1.19 0.00 0.00 1.23 0.00 0.00 39.78 40.05 2g4d n ASN 582 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2g4d n GLY 583 N 5.37 0.56 3.68 8.20 0.00 -1.26 -5.04 105.19 116.69 2g4d n GLY 583 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 2g4d n GLY 583 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2g4d s TRP 584 N -2.20 2.98 -0.24 1.61 0.52 0.79 -4.79 118.94 117.60 2g4d s TRP 584 Ca 0.00 1.02 -0.08 0.00 0.02 0.00 0.00 56.10 57.06 2g4d s TRP 584 Cb 0.00 -3.53 -0.03 0.00 -1.15 0.00 0.00 33.47 28.76 2g4d s TRP 584 CO 0.00 -1.82 0.08 -1.14 0.02 0.00 0.00 176.95 174.10 2g4d s GLN 585 N 2.58 3.73 -0.33 4.98 0.74 -1.17 -4.99 119.66 125.21 2g4d s GLN 585 Ca 0.59 -0.44 -0.09 0.00 0.05 0.00 0.00 55.36 55.46 2g4d s GLN 585 Cb -0.26 -3.35 0.01 0.00 1.10 0.00 0.00 33.01 30.51 2g4d s GLN 585 CO 0.22 -0.13 0.15 -0.51 -0.55 0.00 0.00 175.29 174.48 2g4d s LEU 586 N 1.47 4.29 0.33 3.68 1.43 -1.26 -0.63 118.68 127.99 2g4d s LEU 586 Ca 0.06 -0.78 -0.04 0.00 -1.03 0.00 0.00 54.13 52.34 2g4d s LEU 586 Cb -0.15 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.10 2g4d s LEU 586 CO 0.04 -0.27 0.47 0.72 0.23 0.00 0.00 176.35 177.54 2g4d s PHE 587 N 1.55 0.96 -0.05 0.29 -0.12 -0.92 -5.01 117.98 114.68 2g4d s PHE 587 Ca 0.03 -1.21 0.01 0.00 -0.05 0.00 0.00 56.93 55.70 2g4d s PHE 587 Cb -0.18 -0.05 0.02 0.00 -0.63 0.00 0.00 43.02 42.18 2g4d s PHE 587 CO 0.05 -1.11 -0.05 0.45 -0.05 0.00 0.00 175.22 174.52 2g4d s SER 588 N -3.20 1.06 0.35 1.98 0.15 -1.26 -1.88 113.70 110.89 2g4d s SER 588 Ca 0.29 -0.15 -0.29 0.00 0.70 0.00 0.00 55.95 56.51 2g4d s SER 588 Cb -0.00 -0.49 -0.11 0.00 -1.71 0.00 0.00 66.02 63.71 2g4d s SER 588 CO 0.18 -0.05 1.43 -0.54 1.20 0.00 0.00 173.24 175.46 2g4d s LYS 589 N 0.92 4.21 0.31 5.44 -0.14 -0.95 -4.95 119.74 124.57 2g4d s LYS 589 Ca -0.11 2.43 -0.09 0.00 -1.36 0.00 0.00 55.97 56.84 2g4d s LYS 589 Cb -0.14 -3.02 -0.07 0.00 -1.68 0.00 0.00 37.83 32.92 2g4d s LYS 589 CO 0.00 -0.41 0.64 0.15 -0.76 0.00 0.00 175.35 174.97 2g4d s LYS 590 N -1.78 3.78 0.54 1.68 1.02 -1.26 -4.75 119.74 118.97 2g4d s LYS 590 Ca 0.52 0.32 0.35 0.00 0.02 0.00 0.00 55.97 57.19 2g4d s LYS 590 Cb -0.44 -2.54 1.52 0.00 -0.52 0.00 0.00 37.83 35.86 2g4d s LYS 590 CO 0.57 0.16 1.81 0.66 -0.92 0.00 0.00 175.35 177.64 2g4d h SER 591 N 1.91 0.02 -0.01 2.83 4.64 -1.87 0.38 113.55 121.44 2g4d h SER 591 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2g4d h SER 591 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2g4d h SER 591 CO 0.66 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.63 2g4d n GLN 592 N -4.21 1.43 -0.09 4.77 0.00 -1.26 -3.81 117.38 114.21 2g4d n GLN 592 Ca 0.25 -0.62 -0.07 0.00 0.00 0.00 0.00 57.00 56.55 2g4d n GLN 592 Cb 1.20 -1.48 -0.16 0.00 0.00 0.00 0.00 30.24 29.80 2g4d n GLN 592 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2g4d n GLU 593 N -0.24 0.71 -4.30 2.61 1.02 0.13 -4.98 120.64 115.59 2g4d n GLU 593 Ca 0.21 -0.04 -0.18 0.00 -0.02 0.00 0.00 57.16 57.13 2g4d n GLU 593 Cb 0.27 -1.52 -0.14 0.00 -0.02 0.00 0.00 31.44 30.03 2g4d n GLU 593 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2g4d s ILE 594 N -2.63 0.77 -0.24 -3.67 -4.36 -1.17 -5.00 121.20 104.91 2g4d s ILE 594 Ca -0.10 -0.66 -0.41 0.00 -0.26 0.00 0.00 60.65 59.23 2g4d s ILE 594 Cb 0.07 -0.69 -0.17 0.00 1.25 0.00 0.00 42.46 42.92 2g4d s ILE 594 CO 0.83 0.04 1.60 -0.81 0.24 0.00 0.00 174.94 176.85 2g4d n PRO 595 N 2.37 0.86 -3.59 0.37 -0.04 -1.26 -4.81 135.00 128.90 2g4d n PRO 595 Ca -0.16 0.32 -0.27 0.00 -0.04 0.00 0.00 63.50 63.34 2g4d n PRO 595 Cb 0.56 -1.95 -0.03 0.00 -0.04 0.00 0.00 33.50 32.04 2g4d n PRO 595 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2g4d s GLN 596 N 2.67 3.54 0.43 0.54 -1.52 -1.26 -4.75 119.66 119.31 2g4d s GLN 596 Ca 0.97 -0.27 -0.08 0.00 -1.95 0.00 0.00 55.36 54.03 2g4d s GLN 596 Cb -1.14 -2.78 -0.05 0.00 -0.22 0.00 0.00 33.01 28.82 2g4d s GLN 596 CO 0.65 0.33 0.76 1.14 -0.25 0.00 0.00 175.29 177.92 2g4d s GLN 597 N -3.48 3.67 -0.12 2.91 -2.07 -0.56 -4.44 119.66 115.58 2g4d s GLN 597 Ca 0.40 0.32 0.17 0.00 -1.82 0.00 0.00 55.36 54.42 2g4d s GLN 597 Cb -0.11 -2.41 0.26 0.00 -1.09 0.00 0.00 33.01 29.67 2g4d s GLN 597 CO 0.30 -0.09 1.14 -1.33 -1.32 0.00 0.00 175.29 173.99 2g4d n MET 598 N -1.67 1.53 -1.11 9.60 2.81 -1.26 -4.94 117.12 122.08 2g4d n MET 598 Ca 0.01 -2.45 0.00 0.00 -1.81 0.00 0.00 57.70 53.45 2g4d n MET 598 Cb 0.54 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 2g4d n MET 598 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2g4d n ASN 599 N -1.30 0.00 -1.95 7.83 0.23 -1.26 -5.07 115.26 113.74 2g4d n ASN 599 Ca 0.14 -0.64 -0.23 0.00 -0.53 0.00 0.00 54.58 53.33 2g4d n ASN 599 Cb 0.60 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.34 2g4d n ASN 599 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2g4d n GLY 600 N 0.00 6.21 0.00 4.83 0.00 -1.26 -4.75 105.19 110.22 2g4d n GLY 600 Ca 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 46.02 43.53 2g4d n GLY 600 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2g4d n SER 601 N -0.78 0.00 0.00 1.61 7.64 -1.26 -4.92 113.62 115.91 2g4d n SER 601 Ca 0.45 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.41 2g4d n SER 601 Cb 0.92 0.00 0.46 0.00 -1.01 0.00 0.00 64.21 64.58 2g4d n SER 601 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2g4d n ASP 602 N -0.96 0.00 -0.26 6.43 8.00 -1.26 -4.09 116.55 124.40 2g4d n ASP 602 Ca 0.00 -0.87 0.05 0.00 0.71 0.00 0.00 54.79 54.68 2g4d n ASP 602 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.24 2g4d n ASP 602 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2g4d h SER 603 N 0.00 -0.48 -0.56 -2.24 0.87 -1.91 0.35 113.55 109.59 2g4d h SER 603 Ca 0.00 0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 2g4d h SER 603 Cb 0.00 0.40 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 2g4d h SER 603 CO 0.00 -0.22 0.17 1.23 -0.53 0.00 0.00 176.83 177.49 2g4d h GLY 604 N 0.06 0.98 0.90 5.77 0.00 -1.85 -0.96 103.07 107.98 2g4d h GLY 604 Ca 0.41 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2g4d h GLY 604 CO -0.72 0.52 0.07 -0.33 0.00 0.00 0.00 176.54 176.07 2g4d h MET 605 N 0.88 0.21 -0.19 4.80 2.07 -0.71 -1.19 114.93 120.80 2g4d h MET 605 Ca 0.20 -0.03 -0.00 0.00 -2.07 0.00 0.00 59.70 57.79 2g4d h MET 605 Cb 0.27 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 29.96 2g4d h MET 605 CO -0.01 0.26 0.11 0.74 1.07 0.00 0.00 176.91 179.09 2g4d h PHE 606 N 0.10 0.25 -0.38 -0.22 -1.00 -0.62 0.59 116.94 115.67 2g4d h PHE 606 Ca 0.05 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.90 2g4d h PHE 606 Cb 0.13 -0.08 -0.09 0.00 3.61 0.00 0.00 35.95 39.52 2g4d h PHE 606 CO -0.03 0.22 -0.35 0.00 -1.61 0.00 0.00 178.31 176.54 2g4d h ALA 607 N 1.02 -0.26 0.45 2.45 0.00 -0.99 0.43 119.26 122.35 2g4d h ALA 607 Ca 0.07 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2g4d h ALA 607 Cb 0.04 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2g4d h ALA 607 CO -0.01 -0.77 -0.32 0.00 0.00 0.00 0.00 179.25 178.15 2g4d h LYS 609 N -0.75 0.96 -0.26 0.00 1.79 -0.48 -0.31 116.57 117.51 2g4d h LYS 609 Ca -0.04 -0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.42 2g4d h LYS 609 Cb 0.64 -0.22 -0.05 0.00 -1.58 0.00 0.00 32.23 31.02 2g4d h LYS 609 CO 0.02 0.63 -0.08 1.88 -1.08 0.00 0.00 179.45 180.82 2g4d h TYR 610 N 0.98 -0.19 -0.64 -1.35 0.99 0.04 -1.08 116.97 115.73 2g4d h TYR 610 Ca 0.27 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.98 2g4d h TYR 610 Cb -0.11 0.12 -0.03 0.00 1.00 0.00 0.00 36.73 37.71 2g4d h TYR 610 CO -0.00 -0.14 0.22 0.00 -0.00 0.00 0.00 178.16 178.25 2g4d h ALA 611 N 1.22 1.19 0.48 3.88 0.00 -0.94 0.43 119.26 125.54 2g4d h ALA 611 Ca 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2g4d h ALA 611 Cb 0.22 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2g4d h ALA 611 CO -0.29 0.57 -0.52 0.22 0.00 0.00 0.00 179.25 179.24 2g4d h ASP 612 N 0.93 -1.43 -0.46 0.00 3.58 -0.11 0.43 116.42 119.37 2g4d h ASP 612 Ca 0.21 0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.79 2g4d h ASP 612 Cb 0.23 0.47 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 2g4d h ASP 612 CO -0.01 -0.67 0.30 0.00 -2.88 0.00 0.00 179.24 175.98 2g4d h ILE 614 N 0.61 1.15 0.00 0.00 2.04 -0.69 -1.60 117.51 119.03 2g4d h ILE 614 Ca 0.17 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2g4d h ILE 614 Cb -0.06 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 2g4d h ILE 614 CO -0.04 0.17 0.00 0.74 0.00 0.00 0.00 178.15 179.01 2g4d h THR 615 N 0.91 0.00 -0.55 -0.27 2.02 0.24 -1.77 112.91 113.49 2g4d h THR 615 Ca 0.26 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.27 2g4d h THR 615 Cb -0.07 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2g4d h THR 615 CO -0.07 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.11 2g4d n LYS 616 N -2.41 2.66 -3.04 6.66 5.02 -0.64 -4.23 118.16 122.17 2g4d n LYS 616 Ca 0.00 -2.39 -0.21 0.00 -2.02 0.00 0.00 58.31 53.69 2g4d n LYS 616 Cb 0.16 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.71 2g4d n LYS 616 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2g4d n ASP 617 N 1.29 -4.57 -4.51 4.39 8.00 -0.66 -4.97 116.55 115.52 2g4d n ASP 617 Ca 0.20 -0.23 -0.31 0.00 0.71 0.00 0.00 54.79 55.16 2g4d n ASP 617 Cb 0.56 -3.77 -0.12 0.00 -0.02 0.00 0.00 41.12 37.77 2g4d n ASP 617 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2g4d s ARG 618 N -5.69 2.23 0.35 -1.24 1.81 -0.96 -5.06 118.95 110.40 2g4d s ARG 618 Ca 0.28 -0.90 -0.28 0.00 -1.72 0.00 0.00 55.73 53.10 2g4d s ARG 618 Cb -0.14 -2.30 -0.11 0.00 -0.45 0.00 0.00 34.95 31.96 2g4d s ARG 618 CO 0.34 0.56 1.43 -2.14 -0.68 0.00 0.00 175.30 174.81 2g4d s PRO 619 N -1.48 4.19 -0.21 3.54 0.02 -1.26 -4.29 135.00 135.51 2g4d s PRO 619 Ca 0.16 2.45 -0.28 0.00 0.02 0.00 0.00 61.00 63.35 2g4d s PRO 619 Cb -0.11 -3.01 -0.05 0.00 0.02 0.00 0.00 34.50 31.36 2g4d s PRO 619 CO 0.07 -0.42 2.04 0.42 -0.33 0.00 0.00 177.00 178.77 2g4d s ILE 620 N -1.05 3.18 -0.16 2.83 1.01 -1.26 -4.84 121.20 120.91 2g4d s ILE 620 Ca 0.52 0.19 0.14 0.00 0.00 0.00 0.00 60.65 61.50 2g4d s ILE 620 Cb -0.44 -3.21 0.41 0.00 0.01 0.00 0.00 42.46 39.22 2g4d s ILE 620 CO 0.59 -0.12 1.20 -0.46 0.00 0.00 0.00 174.94 176.15 2g4d n ASN 621 N 10.54 1.57 -3.52 3.58 0.23 -1.26 -4.93 115.26 121.47 2g4d n ASN 621 Ca 0.26 -3.45 -0.16 0.00 -0.53 0.00 0.00 54.58 50.70 2g4d n ASN 621 Cb 0.45 -0.47 -0.02 0.00 -2.08 0.00 0.00 39.78 37.66 2g4d n ASN 621 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 2g4d n PHE 622 N -0.79 -0.27 -4.05 -2.53 1.16 -1.26 -5.16 117.46 104.56 2g4d n PHE 622 Ca 0.16 -1.33 -0.13 0.00 -1.87 0.00 0.00 57.45 54.28 2g4d n PHE 622 Cb 0.78 -0.22 -0.04 0.00 -1.61 0.00 0.00 39.48 38.39 2g4d n PHE 622 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 2g4d s THR 623 N -1.72 0.00 0.35 1.97 -4.23 -1.26 -4.73 115.64 106.02 2g4d s THR 623 Ca 0.09 -1.52 0.09 0.00 -1.18 0.00 0.00 61.69 59.17 2g4d s THR 623 Cb -0.01 -2.57 0.32 0.00 1.34 0.00 0.00 72.50 71.58 2g4d s THR 623 CO 0.06 0.00 1.87 -0.61 -0.54 0.00 0.00 174.62 175.40 2g4d h GLN 624 N 2.15 0.68 -0.59 3.99 5.75 -1.94 -1.04 115.11 124.10 2g4d h GLN 624 Ca -0.28 -0.04 0.17 0.00 -0.15 0.00 0.00 58.65 58.34 2g4d h GLN 624 Cb 1.24 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.62 2g4d h GLN 624 CO 0.39 0.45 0.53 1.96 -2.65 0.00 0.00 178.83 179.51 2g4d h GLN 625 N 0.70 0.00 0.00 1.69 1.08 -1.95 -0.40 115.11 116.23 2g4d h GLN 625 Ca 0.45 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.55 2g4d h GLN 625 Cb 0.70 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 2g4d h GLN 625 CO -0.20 0.00 -0.96 0.45 -0.95 0.00 0.00 178.83 177.16 2g4d h HIS 626 N 0.00 0.00 -0.99 2.96 3.86 -1.60 -3.41 115.15 115.98 2g4d h HIS 626 Ca 0.28 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.63 2g4d h HIS 626 Cb 1.34 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.66 2g4d h HIS 626 CO 0.00 0.36 -0.42 -1.33 0.86 0.00 0.00 177.93 177.40 2g4d n MET 627 N -2.93 -0.27 -0.33 2.45 2.81 -0.16 -0.43 117.12 118.26 2g4d n MET 627 Ca -0.03 1.51 0.11 0.00 -1.81 0.00 0.00 57.70 57.48 2g4d n MET 627 Cb 0.71 -2.24 0.28 0.00 -0.71 0.00 0.00 33.22 31.27 2g4d n MET 627 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2g4d h PRO 628 N 0.00 0.66 0.08 0.03 0.13 -1.78 0.19 132.00 131.30 2g4d h PRO 628 Ca 0.31 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.39 2g4d h PRO 628 Cb 0.55 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.53 2g4d h PRO 628 CO -0.97 0.43 -0.04 -0.92 -0.23 0.00 0.00 178.00 176.28 2g4d h TYR 629 N 0.68 -0.10 -0.97 1.56 5.03 -1.03 -2.79 116.97 119.35 2g4d h TYR 629 Ca 0.54 -0.00 0.17 0.00 2.58 0.00 0.00 58.73 62.01 2g4d h TYR 629 Cb 0.83 0.03 -0.09 0.00 1.55 0.00 0.00 36.73 39.05 2g4d h TYR 629 CO -0.05 0.25 0.61 0.74 -1.32 0.00 0.00 178.16 178.39 2g4d h PHE 630 N -0.46 0.98 -0.23 -3.82 0.04 0.23 0.37 116.94 114.05 2g4d h PHE 630 Ca -0.01 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 2g4d h PHE 630 Cb 0.40 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 2g4d h PHE 630 CO 0.04 0.30 0.10 0.00 -0.60 0.00 0.00 178.31 178.15 2g4d h ARG 631 N 0.77 0.33 0.24 1.51 3.08 -0.61 -1.32 114.38 118.39 2g4d h ARG 631 Ca 0.52 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.51 2g4d h ARG 631 Cb 0.80 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2g4d h ARG 631 CO -0.29 0.36 -0.12 0.87 -1.07 0.00 0.00 179.97 179.72 2g4d h LYS 632 N 0.23 -0.31 -0.05 0.04 1.57 -0.68 -1.90 116.57 115.47 2g4d h LYS 632 Ca 0.08 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2g4d h LYS 632 Cb 0.14 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2g4d h LYS 632 CO -0.01 -0.21 0.15 -0.09 -0.57 0.00 0.00 179.45 178.73 2g4d h ARG 633 N -0.33 0.00 0.14 3.15 2.43 -0.18 -1.96 114.38 117.63 2g4d h ARG 633 Ca -0.03 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.80 2g4d h ARG 633 Cb 0.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2g4d h ARG 633 CO 0.05 0.00 -1.73 1.98 -1.51 0.00 0.00 179.97 178.76 2g4d h MET 634 N 0.00 0.29 0.00 0.20 4.05 -0.52 -0.00 114.93 118.94 2g4d h MET 634 Ca 0.02 -0.50 -0.02 0.00 -0.28 0.00 0.00 59.70 58.93 2g4d h MET 634 Cb 0.32 0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.30 2g4d h MET 634 CO -0.00 1.17 -0.07 -0.24 0.23 0.00 0.00 176.91 177.99 2g4d h VAL 635 N 0.08 0.46 0.02 -5.77 3.04 -0.64 0.15 116.25 113.59 2g4d h VAL 635 Ca -0.33 -0.36 -0.00 0.00 -1.01 0.00 0.00 66.70 65.00 2g4d h VAL 635 Cb 2.05 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 32.58 2g4d h VAL 635 CO 0.15 0.07 -0.01 -0.25 -1.01 0.00 0.00 177.57 176.52 2g4d h TRP 636 N 0.00 -0.02 -1.16 3.17 7.01 -1.40 -2.99 115.95 120.56 2g4d h TRP 636 Ca -0.00 -0.00 0.43 0.00 2.11 0.00 0.00 58.89 61.42 2g4d h TRP 636 Cb 0.24 0.01 -0.16 0.00 -2.10 0.00 0.00 29.16 27.15 2g4d h TRP 636 CO 0.00 -0.01 0.69 0.93 -2.79 0.00 0.00 178.44 177.26 2g4d h GLU 637 N -0.14 0.06 -0.01 2.65 5.08 -0.76 0.53 114.58 121.99 2g4d h GLU 637 Ca -0.00 -0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2g4d h GLU 637 Cb 0.02 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.27 2g4d h GLU 637 CO 0.00 0.04 -0.73 0.82 -1.00 0.00 0.00 179.01 178.14 2g4d h ILE 638 N 0.06 1.38 0.00 3.13 2.04 -0.83 0.45 117.51 123.74 2g4d h ILE 638 Ca 0.84 -2.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.56 2g4d h ILE 638 Cb 2.39 2.49 -0.00 0.00 -0.74 0.00 0.00 36.82 40.96 2g4d h ILE 638 CO -0.61 0.63 -0.15 -0.07 0.00 0.00 0.00 178.15 177.95 2g4d h LEU 639 N 0.07 0.00 0.00 1.44 3.38 -0.81 -2.54 115.31 116.85 2g4d h LEU 639 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2g4d h LEU 639 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2g4d h LEU 639 CO 0.14 0.15 -1.22 1.41 0.09 0.00 0.00 178.44 179.02 2g4d n HIS 640 N -3.43 0.27 -1.42 1.13 8.25 -0.23 -4.83 115.22 114.95 2g4d n HIS 640 Ca -0.01 0.08 -0.15 0.00 -0.26 0.00 0.00 57.72 57.39 2g4d n HIS 640 Cb 0.33 -0.47 -0.06 0.00 1.12 0.00 0.00 29.99 30.91 2g4d n HIS 640 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2g4d n ARG 641 N -2.06 -1.25 -4.23 -0.41 1.74 0.15 -4.97 116.66 105.62 2g4d n ARG 641 Ca 0.01 1.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.89 2g4d n ARG 641 Cb 0.47 -5.22 -0.16 0.00 -1.02 0.00 0.00 32.46 26.52 2g4d n ARG 641 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2g4d s LYS 642 N -3.18 0.92 -0.54 5.56 1.02 -0.40 -5.00 119.74 118.12 2g4d s LYS 642 Ca 0.00 -0.15 -0.28 0.00 0.02 0.00 0.00 55.97 55.56 2g4d s LYS 642 Cb 0.00 -0.89 0.03 0.00 -0.52 0.00 0.00 37.83 36.46 2g4d s LYS 642 CO 0.00 -0.05 1.14 -0.51 -0.92 0.00 0.00 175.35 175.00 2g4d s LEU 643 N 0.81 3.60 0.00 3.17 1.43 -1.26 -4.38 118.68 122.06 2g4d s LEU 643 Ca -0.12 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2g4d s LEU 643 Cb -0.14 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2g4d s LEU 643 CO 0.01 -1.36 0.14 0.18 0.23 0.00 0.00 176.35 175.55