#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gov s PHE 450 N 0.00 3.71 -1.25 1.39 0.40 0.95 -4.15 117.98 119.03 3gov s PHE 450 Ca 0.00 1.13 -0.01 0.00 -0.60 0.00 0.00 56.93 57.45 3gov s PHE 450 Cb 0.00 -2.40 0.01 0.00 0.51 0.00 0.00 43.02 41.13 3gov s PHE 450 CO 0.00 0.54 0.08 0.09 0.70 0.00 0.00 175.22 176.63 3gov n ASN 451 N 1.36 -4.41 -4.58 1.36 4.13 -1.26 -2.83 115.26 109.04 3gov n ASN 451 Ca -0.09 0.07 -0.25 0.00 1.68 0.00 0.00 54.58 55.99 3gov n ASN 451 Cb 0.51 -3.70 0.12 0.00 -1.54 0.00 0.00 39.78 35.17 3gov n ASN 451 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3gov s GLY 452 N -2.14 1.76 0.08 7.41 0.00 -1.26 -4.81 107.32 108.36 3gov s GLY 452 Ca 0.06 -1.50 0.05 0.00 0.00 0.00 0.00 44.72 43.33 3gov s GLY 452 CO 0.07 -0.91 -0.15 1.09 0.00 0.00 0.00 173.10 173.21 3gov s ARG 453 N -5.33 0.85 0.26 2.90 1.70 -0.36 -4.90 118.95 114.07 3gov s ARG 453 Ca 0.67 -0.99 -0.31 0.00 -0.47 0.00 0.00 55.73 54.63 3gov s ARG 453 Cb -0.06 -0.87 -0.11 0.00 -0.57 0.00 0.00 34.95 33.34 3gov s ARG 453 CO 0.46 0.19 1.62 -1.25 -1.08 0.00 0.00 175.30 175.25 3gov s PRO 454 N -1.83 4.13 0.21 3.89 0.04 -1.26 -1.07 135.00 139.11 3gov s PRO 454 Ca -0.01 2.56 -0.30 0.00 0.04 0.00 0.00 61.00 63.30 3gov s PRO 454 Cb -0.10 -3.05 -0.08 0.00 0.04 0.00 0.00 34.50 31.31 3gov s PRO 454 CO 0.02 -0.66 1.19 0.00 0.04 0.00 0.00 177.00 177.60 3gov s ALA 455 N 0.38 3.44 0.06 8.56 0.00 -0.28 -4.82 121.76 129.11 3gov s ALA 455 Ca 0.67 0.97 -0.31 0.00 0.00 0.00 0.00 51.96 53.29 3gov s ALA 455 Cb -0.48 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.17 3gov s ALA 455 CO 0.42 -0.36 1.32 -0.65 0.00 0.00 0.00 175.76 176.50 3gov s GLN 456 N -0.51 4.35 0.22 0.00 -0.21 -1.26 -4.87 119.66 117.38 3gov s GLN 456 Ca 0.51 1.93 -0.31 0.00 0.02 0.00 0.00 55.36 57.51 3gov s GLN 456 Cb -0.33 -3.37 -0.14 0.00 1.00 0.00 0.00 33.01 30.17 3gov s GLN 456 CO 0.38 -0.41 1.32 1.17 -2.12 0.00 0.00 175.29 175.63 3gov n LYS 457 N 4.34 1.76 0.00 2.91 4.81 -1.26 -2.62 118.16 128.10 3gov n LYS 457 Ca 0.11 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 3gov n LYS 457 Cb 0.44 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.27 3gov n LYS 457 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gov n GLY 458 N 2.05 2.42 0.86 3.14 0.00 -1.26 -4.88 105.19 107.51 3gov n GLY 458 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 3gov n GLY 458 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gov n THR 459 N -2.00 0.58 -2.91 2.61 -2.24 -1.08 -4.03 114.28 105.22 3gov n THR 459 Ca 0.00 -0.61 -0.17 0.00 -2.27 0.00 0.00 64.05 61.00 3gov n THR 459 Cb 0.00 0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 68.58 3gov n THR 459 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3gov n THR 460 N 0.87 0.90 0.57 4.28 -1.04 -1.26 -4.97 114.28 113.62 3gov n THR 460 Ca 0.16 -4.25 0.07 0.00 -2.04 0.00 0.00 64.05 57.99 3gov n THR 460 Cb 0.40 -0.21 0.34 0.00 -1.82 0.00 0.00 70.33 69.05 3gov n THR 460 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3gov n PRO 461 N 0.02 0.04 0.00 -2.82 -0.04 -1.26 -2.35 135.00 128.59 3gov n PRO 461 Ca 0.22 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 64.02 3gov n PRO 461 Cb 0.68 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.92 3gov n PRO 461 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3gov n TRP 462 N -1.46 0.00 -2.56 0.54 2.14 -1.13 -2.55 117.44 112.41 3gov n TRP 462 Ca 0.04 0.00 -0.38 0.00 2.07 0.00 0.00 57.50 59.23 3gov n TRP 462 Cb 0.17 -0.15 -0.05 0.00 -0.81 0.00 0.00 31.31 30.48 3gov n TRP 462 CO 0.00 0.00 0.00 -1.50 2.07 0.00 0.00 177.69 178.26 3gov s ILE 463 N -2.69 3.72 0.01 -1.67 2.07 -0.99 -0.66 121.20 120.98 3gov s ILE 463 Ca 0.19 1.53 0.08 0.00 -1.41 0.00 0.00 60.65 61.03 3gov s ILE 463 Cb 0.18 -3.89 -0.02 0.00 0.13 0.00 0.00 42.46 38.86 3gov s ILE 463 CO 0.60 0.21 -0.24 0.00 -1.91 0.00 0.00 174.94 173.61 3gov s ALA 464 N -1.41 1.99 -0.19 1.50 0.00 -0.57 -4.20 121.76 118.89 3gov s ALA 464 Ca 0.50 -1.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.29 3gov s ALA 464 Cb -0.26 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 3gov s ALA 464 CO 0.33 0.48 0.10 1.41 0.00 0.00 0.00 175.76 178.08 3gov s MET 465 N -0.80 4.07 -0.25 0.00 1.75 -0.44 -0.48 119.30 123.15 3gov s MET 465 Ca 0.09 -0.27 -0.14 0.00 -1.25 0.00 0.00 55.69 54.12 3gov s MET 465 Cb -0.09 -3.32 -0.04 0.00 2.84 0.00 0.00 34.83 34.22 3gov s MET 465 CO 0.00 0.30 0.35 -0.51 -0.65 0.00 0.00 175.02 174.51 3gov s LEU 466 N 0.32 4.08 0.04 4.11 1.02 0.45 -1.58 118.68 127.13 3gov s LEU 466 Ca 0.06 0.32 0.00 0.00 0.02 0.00 0.00 54.13 54.53 3gov s LEU 466 Cb -0.12 -2.40 -0.03 0.00 0.02 0.00 0.00 46.19 43.66 3gov s LEU 466 CO -0.01 -0.12 -0.04 -0.44 0.02 0.00 0.00 176.35 175.76 3gov s SER 467 N 1.40 0.51 0.76 2.29 0.01 -0.80 -1.78 113.70 116.10 3gov s SER 467 Ca 0.15 -0.76 -0.11 0.00 1.31 0.00 0.00 55.95 56.55 3gov s SER 467 Cb -0.15 0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.26 3gov s SER 467 CO 0.09 -0.42 1.08 -1.00 0.41 0.00 0.00 173.24 173.40 3gov s HIS 468 N -2.64 2.69 0.26 2.43 3.76 -0.82 -0.97 115.29 120.00 3gov s HIS 468 Ca -0.03 1.52 -0.01 0.00 -0.15 0.00 0.00 55.06 56.38 3gov s HIS 468 Cb -0.01 -3.01 0.55 0.00 1.11 0.00 0.00 32.58 31.21 3gov s HIS 468 CO -0.05 -1.69 1.71 -0.07 -0.85 0.00 0.00 174.74 173.80 3gov h LEU 469 N -1.05 0.27 -0.95 0.89 3.38 -1.90 0.29 115.31 116.24 3gov h LEU 469 Ca -0.44 0.13 0.26 0.00 0.09 0.00 0.00 57.88 57.93 3gov h LEU 469 Cb 1.23 0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.96 3gov h LEU 469 CO 0.53 0.05 0.44 -1.13 0.09 0.00 0.00 178.44 178.42 3gov h ASN 470 N 0.41 0.36 0.00 -0.43 -0.73 -1.94 -3.46 115.58 109.79 3gov h ASN 470 Ca 0.47 0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.81 3gov h ASN 470 Cb 0.78 0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.53 3gov h ASN 470 CO -0.46 -0.08 0.00 0.61 -0.37 0.00 0.00 177.43 177.13 3gov n GLY 471 N -1.33 1.99 3.62 1.57 0.00 0.10 -5.09 105.19 106.06 3gov n GLY 471 Ca 0.26 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.84 3gov n GLY 471 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3gov n GLN 472 N 0.00 2.28 -2.10 1.61 7.27 -1.26 -4.66 117.38 120.52 3gov n GLN 472 Ca 0.00 0.75 -0.35 0.00 0.07 0.00 0.00 57.00 57.48 3gov n GLN 472 Cb 0.00 -3.02 0.02 0.00 2.41 0.00 0.00 30.24 29.65 3gov n GLN 472 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 3gov s PRO 473 N 5.32 3.15 0.00 3.69 0.02 -1.26 -1.94 135.00 143.98 3gov s PRO 473 Ca 0.96 1.62 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3gov s PRO 473 Cb -0.46 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.09 3gov s PRO 473 CO 0.41 -1.02 0.00 1.97 -0.33 0.00 0.00 177.00 178.03 3gov n PHE 474 N -1.59 0.00 -4.00 6.54 -1.74 -0.73 -4.92 117.46 111.02 3gov n PHE 474 Ca 0.12 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.91 3gov n PHE 474 Cb 0.51 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.44 3gov n PHE 474 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3gov s GLY 476 N -3.01 2.54 0.00 0.00 0.00 0.12 -0.41 107.32 106.56 3gov s GLY 476 Ca 0.22 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.18 3gov s GLY 476 CO 0.05 -2.04 0.00 0.61 0.00 0.00 0.00 173.10 171.71 3gov n GLY 477 N -1.19 1.88 2.99 0.20 0.00 0.36 -3.57 105.19 105.87 3gov n GLY 477 Ca -0.06 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 3gov n GLY 477 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gov s SER 478 N -0.72 -0.15 -0.00 1.61 0.01 -0.65 -1.51 113.70 112.29 3gov s SER 478 Ca 0.00 0.33 -0.30 0.00 1.31 0.00 0.00 55.95 57.29 3gov s SER 478 Cb 0.00 0.27 -0.06 0.00 0.21 0.00 0.00 66.02 66.45 3gov s SER 478 CO 0.00 -0.10 1.45 -0.22 0.41 0.00 0.00 173.24 174.77 3gov s LEU 479 N 0.66 4.32 -0.12 2.44 2.96 0.17 -1.11 118.68 127.99 3gov s LEU 479 Ca -0.05 2.15 0.00 0.00 -0.22 0.00 0.00 54.13 56.02 3gov s LEU 479 Cb -0.06 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 3gov s LEU 479 CO -0.03 -0.76 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.35 3gov s LEU 480 N 2.60 2.73 0.00 -0.68 1.02 0.94 -1.48 118.68 123.81 3gov s LEU 480 Ca 0.65 -0.31 0.00 0.00 0.02 0.00 0.00 54.13 54.50 3gov s LEU 480 Cb -0.32 -1.61 0.00 0.00 0.02 0.00 0.00 46.19 44.28 3gov s LEU 480 CO 0.27 0.19 0.00 0.61 0.02 0.00 0.00 176.35 177.44 3gov n GLY 481 N 3.36 3.22 0.11 -3.19 0.00 -1.26 -2.70 105.19 104.72 3gov n GLY 481 Ca -0.18 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 3gov n GLY 481 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gov n SER 482 N 2.68 1.29 -2.72 1.61 2.88 -1.26 -4.52 113.62 113.57 3gov n SER 482 Ca 0.00 0.15 -0.03 0.00 -1.33 0.00 0.00 58.87 57.66 3gov n SER 482 Cb 0.00 -0.15 0.10 0.00 -0.75 0.00 0.00 64.21 63.41 3gov n SER 482 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3gov n SER 483 N -3.16 -0.53 -4.02 -3.46 3.41 -1.25 -4.27 113.62 100.34 3gov n SER 483 Ca -0.31 -2.25 -0.16 0.00 -0.26 0.00 0.00 58.87 55.89 3gov n SER 483 Cb 1.06 0.35 -0.13 0.00 -0.26 0.00 0.00 64.21 65.23 3gov n SER 483 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3gov s TRP 484 N -1.13 0.66 -0.15 7.33 0.52 -1.10 -2.37 118.94 122.70 3gov s TRP 484 Ca 0.17 -0.27 0.00 0.00 0.02 0.00 0.00 56.10 56.02 3gov s TRP 484 Cb 0.41 -0.41 0.03 0.00 -1.15 0.00 0.00 33.47 32.35 3gov s TRP 484 CO -0.09 -0.03 -0.10 0.42 0.02 0.00 0.00 176.95 177.17 3gov s ILE 485 N -0.66 1.36 -0.07 2.03 1.01 -0.13 -0.04 121.20 124.71 3gov s ILE 485 Ca -0.02 -0.63 -0.18 0.00 0.00 0.00 0.00 60.65 59.82 3gov s ILE 485 Cb -0.06 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 3gov s ILE 485 CO 0.00 0.31 0.50 0.54 0.00 0.00 0.00 174.94 176.30 3gov s VAL 486 N 1.55 5.08 0.23 2.92 0.11 -0.27 -0.24 120.40 129.79 3gov s VAL 486 Ca 0.03 1.03 -0.03 0.00 -2.93 0.00 0.00 61.98 60.08 3gov s VAL 486 Cb -0.14 -3.84 0.01 0.00 -1.53 0.00 0.00 36.38 30.88 3gov s VAL 486 CO -0.09 0.39 0.36 1.07 -3.33 0.00 0.00 175.10 173.49 3gov n THR 487 N 3.14 0.00 -2.77 5.04 5.66 -0.47 -1.63 114.28 123.26 3gov n THR 487 Ca -0.08 -1.06 -0.40 0.00 -3.05 0.00 0.00 64.05 59.46 3gov n THR 487 Cb 0.52 0.70 -0.05 0.00 -1.55 0.00 0.00 70.33 69.94 3gov n THR 487 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gov s ALA 488 N -2.23 3.30 0.49 1.79 0.00 -1.26 -1.06 121.76 122.80 3gov s ALA 488 Ca 0.17 0.57 0.15 0.00 0.00 0.00 0.00 51.96 52.85 3gov s ALA 488 Cb -0.01 -3.21 1.17 0.00 0.00 0.00 0.00 23.12 21.06 3gov s ALA 488 CO 0.12 0.10 2.10 0.00 0.00 0.00 0.00 175.76 178.09 3gov h ALA 489 N 4.88 1.90 0.00 0.00 0.00 -1.71 -1.55 119.26 122.78 3gov h ALA 489 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3gov h ALA 489 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3gov h ALA 489 CO 0.70 0.08 0.00 -2.39 0.00 0.00 0.00 179.25 177.64 3gov n HIS 490 N -4.48 0.00 0.22 0.00 1.44 -1.26 -2.46 115.22 108.68 3gov n HIS 490 Ca -0.03 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.80 3gov n HIS 490 Cb 0.13 -0.35 0.35 0.00 0.12 0.00 0.00 29.99 30.24 3gov n HIS 490 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3gov n LEU 492 N -3.18 4.65 -3.66 0.00 4.77 -1.03 -4.96 117.00 113.59 3gov n LEU 492 Ca 0.02 -3.44 -0.14 0.00 -0.03 0.00 0.00 56.01 52.41 3gov n LEU 492 Cb 0.48 -0.65 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 3gov n LEU 492 CO 0.33 0.99 0.18 -1.38 -1.33 0.00 0.00 177.39 176.18 3gov s HIS 493 N -3.09 -0.34 0.87 -1.77 -3.43 -1.26 -1.01 115.29 105.27 3gov s HIS 493 Ca 0.47 0.48 -0.13 0.00 -0.80 0.00 0.00 55.06 55.08 3gov s HIS 493 Cb 0.40 0.22 0.07 0.00 -1.43 0.00 0.00 32.58 31.84 3gov s HIS 493 CO 0.06 -0.51 0.85 0.94 -2.00 0.00 0.00 174.74 174.08 3gov n GLN 494 N 0.92 -0.13 -2.03 -0.38 7.27 0.11 -4.89 117.38 118.24 3gov n GLN 494 Ca -0.20 0.02 -0.41 0.00 0.07 0.00 0.00 57.00 56.48 3gov n GLN 494 Cb 0.58 -2.16 -0.02 0.00 2.41 0.00 0.00 30.24 31.04 3gov n GLN 494 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3gov s SER 495 N -2.15 6.67 0.30 1.69 0.01 -1.26 -4.97 113.70 113.99 3gov s SER 495 Ca 0.65 2.72 -0.09 0.00 1.31 0.00 0.00 55.95 60.54 3gov s SER 495 Cb -0.26 -2.64 -0.07 0.00 0.21 0.00 0.00 66.02 63.27 3gov s SER 495 CO 0.59 -0.65 0.63 -0.76 0.41 0.00 0.00 173.24 173.46 3gov s LEU 496 N -1.20 4.03 -0.29 2.44 1.43 -1.26 -5.05 118.68 118.79 3gov s LEU 496 Ca 0.54 0.95 -0.28 0.00 -1.03 0.00 0.00 54.13 54.30 3gov s LEU 496 Cb -0.41 -3.76 0.01 0.00 0.03 0.00 0.00 46.19 42.06 3gov s LEU 496 CO 0.50 -0.21 1.03 -0.62 0.23 0.00 0.00 176.35 177.28 3gov s ASP 497 N -2.82 6.96 0.55 2.29 2.15 -1.26 -4.93 116.67 119.62 3gov s ASP 497 Ca 0.48 1.13 0.32 0.00 0.43 0.00 0.00 52.55 54.91 3gov s ASP 497 Cb -0.11 -2.53 1.48 0.00 -0.30 0.00 0.00 42.92 41.46 3gov s ASP 497 CO 0.26 -0.78 1.85 -0.65 -0.17 0.00 0.00 175.17 175.69 3gov h PRO 498 N 7.87 0.00 0.00 4.34 0.11 -1.99 0.30 132.00 142.63 3gov h PRO 498 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3gov h PRO 498 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gov h PRO 498 CO 1.00 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.42 3gov n LYS 499 N -4.08 0.82 -2.93 1.05 4.76 -1.26 -3.70 118.16 112.82 3gov n LYS 499 Ca 0.18 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.48 3gov n LYS 499 Cb 0.98 -1.49 0.01 0.00 -1.84 0.00 0.00 35.03 32.69 3gov n LYS 499 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3gov n ASP 500 N -0.99 -1.58 -3.50 4.39 4.64 0.11 -5.07 116.55 114.55 3gov n ASP 500 Ca 0.19 -3.11 -0.40 0.00 -1.38 0.00 0.00 54.79 50.09 3gov n ASP 500 Cb 0.09 0.85 -0.01 0.00 -1.04 0.00 0.00 41.12 41.00 3gov n ASP 500 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3gov n PRO 501 N 1.38 3.92 -3.91 -0.67 -0.04 -1.19 -4.46 135.00 130.02 3gov n PRO 501 Ca 0.14 -2.90 -0.15 0.00 -0.04 0.00 0.00 63.50 60.55 3gov n PRO 501 Cb 0.60 -2.82 -0.15 0.00 -0.04 0.00 0.00 33.50 31.10 3gov n PRO 501 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3gov s THR 502 N 0.81 0.11 0.04 0.52 -1.32 -1.26 -4.90 115.64 109.64 3gov s THR 502 Ca 0.57 0.03 -0.30 0.00 -1.21 0.00 0.00 61.69 60.78 3gov s THR 502 Cb 0.17 -0.16 -0.05 0.00 -1.51 0.00 0.00 72.50 70.95 3gov s THR 502 CO -0.07 0.08 1.08 -0.22 -2.21 0.00 0.00 174.62 173.29 3gov s LEU 503 N 0.50 4.38 0.25 9.08 2.96 -1.26 -5.02 118.68 129.57 3gov s LEU 503 Ca -0.05 1.85 0.07 0.00 -0.22 0.00 0.00 54.13 55.79 3gov s LEU 503 Cb -0.07 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 3gov s LEU 503 CO -0.01 -0.34 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.44 3gov s ARG 504 N 0.91 1.47 0.54 1.98 3.00 -1.26 -5.04 118.95 120.55 3gov s ARG 504 Ca 0.55 -1.70 0.20 0.00 0.00 0.00 0.00 55.73 54.78 3gov s ARG 504 Cb -0.25 -1.17 1.40 0.00 0.00 0.00 0.00 34.95 34.93 3gov s ARG 504 CO 0.29 0.11 2.14 -0.44 0.00 0.00 0.00 175.30 177.41 3gov h ASP 505 N 2.39 0.00 0.35 0.23 5.19 -1.97 -1.72 116.42 120.89 3gov h ASP 505 Ca -0.39 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.01 3gov h ASP 505 Cb 1.23 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.74 3gov h ASP 505 CO 0.65 0.00 -0.05 0.77 -3.12 0.00 0.00 179.24 177.48 3gov h SER 506 N 0.00 0.00 0.88 6.45 4.64 -2.01 -2.50 113.55 121.01 3gov h SER 506 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3gov h SER 506 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3gov h SER 506 CO -0.00 0.05 -0.88 0.44 -0.87 0.00 0.00 176.83 175.58 3gov h ASP 507 N 0.00 0.00 -4.09 4.97 3.32 -1.71 -3.48 116.42 115.42 3gov h ASP 507 Ca -0.00 -0.12 -0.53 0.00 0.02 0.00 0.00 57.03 56.40 3gov h ASP 507 Cb 0.24 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.90 3gov h ASP 507 CO 0.01 0.06 0.47 -0.76 -1.72 0.00 0.00 179.24 177.30 3gov s LEU 508 N -4.80 3.68 0.11 1.55 1.43 -0.95 0.10 118.68 119.81 3gov s LEU 508 Ca 0.02 2.39 -0.30 0.00 -1.03 0.00 0.00 54.13 55.21 3gov s LEU 508 Cb 0.11 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.69 3gov s LEU 508 CO 0.77 -1.56 1.01 -0.22 0.23 0.00 0.00 176.35 176.59 3gov s LEU 509 N -4.02 4.47 0.33 1.79 0.20 -0.18 -4.79 118.68 116.49 3gov s LEU 509 Ca 0.77 1.87 -0.27 0.00 0.69 0.00 0.00 54.13 57.19 3gov s LEU 509 Cb -0.30 -3.59 -0.09 0.00 -0.43 0.00 0.00 46.19 41.77 3gov s LEU 509 CO 0.33 -0.15 1.02 -0.55 -0.29 0.00 0.00 176.35 176.71 3gov s SER 510 N 0.15 7.15 0.52 3.68 0.15 -1.26 -4.95 113.70 119.14 3gov s SER 510 Ca 0.49 2.04 0.26 0.00 0.70 0.00 0.00 55.95 59.44 3gov s SER 510 Cb -0.25 -2.60 1.38 0.00 -1.71 0.00 0.00 66.02 62.84 3gov s SER 510 CO 0.31 -0.21 1.95 -0.65 1.20 0.00 0.00 173.24 175.84 3gov h PRO 511 N 3.23 0.05 0.00 5.44 0.11 -1.89 -0.59 132.00 138.36 3gov h PRO 511 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gov h PRO 511 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3gov h PRO 511 CO 0.65 0.04 0.00 0.66 -0.21 0.00 0.00 178.00 179.13 3gov h SER 512 N 0.06 0.00 -0.32 -2.05 4.64 -1.93 -3.32 113.55 110.64 3gov h SER 512 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3gov h SER 512 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3gov h SER 512 CO -0.02 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.41 3gov n ASP 513 N -2.83 2.96 -3.92 4.97 8.00 -0.23 -4.93 116.55 120.58 3gov n ASP 513 Ca 0.03 -1.92 -0.10 0.00 0.71 0.00 0.00 54.79 53.51 3gov n ASP 513 Cb 0.41 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 3gov n ASP 513 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3gov s PHE 514 N -1.60 0.29 0.22 1.24 -0.12 -1.23 -4.14 117.98 112.64 3gov s PHE 514 Ca 0.36 -0.64 0.01 0.00 -0.05 0.00 0.00 56.93 56.61 3gov s PHE 514 Cb 0.21 0.08 -0.05 0.00 -0.63 0.00 0.00 43.02 42.63 3gov s PHE 514 CO 0.30 -0.81 0.08 -1.59 -0.05 0.00 0.00 175.22 173.15 3gov s LYS 515 N -3.96 1.28 -0.04 1.99 -2.85 -0.14 -4.40 119.74 111.62 3gov s LYS 515 Ca 0.17 -1.67 0.05 0.00 -1.00 0.00 0.00 55.97 53.52 3gov s LYS 515 Cb 0.02 -0.15 -0.02 0.00 -2.06 0.00 0.00 37.83 35.61 3gov s LYS 515 CO 0.01 -0.27 -0.19 0.42 0.10 0.00 0.00 175.35 175.42 3gov s ILE 516 N -3.81 2.63 -0.16 3.79 -1.09 -0.38 -1.90 121.20 120.28 3gov s ILE 516 Ca 0.34 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 3gov s ILE 516 Cb 0.07 -1.99 0.02 0.00 -1.58 0.00 0.00 42.46 38.99 3gov s ILE 516 CO 0.10 0.58 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.61 3gov s ILE 517 N -0.64 1.69 0.36 2.92 1.01 -0.62 -0.23 121.20 125.69 3gov s ILE 517 Ca 0.10 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 60.11 3gov s ILE 517 Cb -0.11 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 3gov s ILE 517 CO 0.00 0.47 0.35 -0.76 0.00 0.00 0.00 174.94 175.00 3gov s LEU 518 N 1.44 3.61 -1.90 2.97 1.43 -0.75 -1.33 118.68 124.15 3gov s LEU 518 Ca 0.05 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 3gov s LEU 518 Cb -0.13 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.81 3gov s LEU 518 CO -0.11 -0.45 0.00 0.61 0.23 0.00 0.00 176.35 176.63 3gov n GLY 519 N -1.48 0.51 3.85 -3.19 0.00 -1.26 -1.50 105.19 102.13 3gov n GLY 519 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 3gov n GLY 519 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gov s LYS 520 N -4.48 3.88 0.06 1.61 2.20 -1.26 -3.63 119.74 118.11 3gov s LYS 520 Ca 0.00 0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 3gov s LYS 520 Cb 0.00 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 3gov s LYS 520 CO 0.00 0.52 0.00 1.58 -0.36 0.00 0.00 175.35 177.09 3gov n HIS 521 N 0.88 -0.14 -2.22 4.03 -0.00 -1.26 -4.99 115.22 111.52 3gov n HIS 521 Ca -0.07 0.03 -0.34 0.00 -0.00 0.00 0.00 57.72 57.33 3gov n HIS 521 Cb 0.52 0.06 0.00 0.00 -0.00 0.00 0.00 29.99 30.58 3gov n HIS 521 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 3gov s TRP 522 N -2.00 2.74 0.03 1.57 0.52 -1.26 -1.62 118.94 118.91 3gov s TRP 522 Ca 0.00 1.55 -0.19 0.00 0.02 0.00 0.00 56.10 57.48 3gov s TRP 522 Cb 0.00 -3.21 -0.20 0.00 -1.15 0.00 0.00 33.47 28.91 3gov s TRP 522 CO 0.00 -1.43 1.19 -0.09 0.02 0.00 0.00 176.95 176.63 3gov h ARG 523 N 1.03 0.47 0.00 4.98 2.43 -1.51 -3.41 114.38 118.37 3gov h ARG 523 Ca -0.49 -0.41 -0.01 0.00 -0.81 0.00 0.00 59.98 58.26 3gov h ARG 523 Cb 1.25 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.89 3gov h ARG 523 CO 0.57 1.05 -1.02 1.28 -1.51 0.00 0.00 179.97 180.33 3gov n LEU 524 N -4.25 0.00 0.00 3.80 4.77 -1.26 -4.87 117.00 115.18 3gov n LEU 524 Ca -0.09 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.73 3gov n LEU 524 Cb 0.61 0.01 0.13 0.00 -2.33 0.00 0.00 43.42 41.83 3gov n LEU 524 CO 0.46 0.01 0.43 0.54 -1.33 0.00 0.00 177.39 177.49 3gov n ARG 525 N -2.00 -1.36 -4.19 3.23 1.74 -1.26 -5.09 116.66 107.72 3gov n ARG 525 Ca -0.01 -1.08 -0.15 0.00 -0.77 0.00 0.00 57.85 55.85 3gov n ARG 525 Cb 0.50 -0.83 -0.11 0.00 -1.02 0.00 0.00 32.46 31.00 3gov n ARG 525 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3gov s SER 526 N -3.49 1.59 0.58 0.55 0.15 -1.26 -4.61 113.70 107.21 3gov s SER 526 Ca 0.41 -0.83 0.05 0.00 0.70 0.00 0.00 55.95 56.28 3gov s SER 526 Cb -0.02 -0.01 0.07 0.00 -1.71 0.00 0.00 66.02 64.35 3gov s SER 526 CO 0.30 -0.24 0.80 -1.81 1.20 0.00 0.00 173.24 173.49 3gov s ASP 527 N -2.50 5.02 0.00 5.45 1.01 -1.26 -4.98 116.67 119.41 3gov s ASP 527 Ca 0.07 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 52.87 3gov s ASP 527 Cb -0.03 -0.21 0.00 0.00 1.01 0.00 0.00 42.92 43.69 3gov s ASP 527 CO 0.01 -1.34 0.00 -0.62 0.21 0.00 0.00 175.17 173.42 3gov n GLU 528 N -2.36 0.00 0.32 8.23 4.71 -1.26 -4.55 120.64 125.73 3gov n GLU 528 Ca 0.12 0.00 0.19 0.00 -0.01 0.00 0.00 57.16 57.47 3gov n GLU 528 Cb 0.60 0.00 1.05 0.00 -1.01 0.00 0.00 31.44 32.09 3gov n GLU 528 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 3gov h ASN 529 N 0.00 0.00 -3.37 1.62 2.35 -1.95 -3.45 115.58 110.78 3gov h ASN 529 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 3gov h ASN 529 Cb 0.00 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.44 3gov h ASN 529 CO 0.00 0.01 0.83 -1.61 -1.65 0.00 0.00 177.43 175.01 3gov s GLU 530 N -4.28 4.19 -0.24 0.81 2.02 -1.24 -4.56 118.70 115.40 3gov s GLU 530 Ca -0.04 2.45 0.02 0.00 0.02 0.00 0.00 54.97 57.42 3gov s GLU 530 Cb 0.13 -3.06 0.06 0.00 0.10 0.00 0.00 34.13 31.36 3gov s GLU 530 CO 0.48 -0.53 -0.10 -0.65 0.02 0.00 0.00 175.26 174.48 3gov s GLN 531 N -0.48 2.06 -0.29 1.61 -0.21 -0.56 -4.98 119.66 116.82 3gov s GLN 531 Ca 0.61 -1.13 -0.18 0.00 0.02 0.00 0.00 55.36 54.67 3gov s GLN 531 Cb -0.45 -2.71 -0.02 0.00 1.00 0.00 0.00 33.01 30.83 3gov s GLN 531 CO 0.46 -0.54 0.54 -1.01 -2.12 0.00 0.00 175.29 172.62 3gov s HIS 532 N 1.25 3.24 -0.04 0.91 3.76 -1.26 -1.81 115.29 121.34 3gov s HIS 532 Ca -0.06 0.54 0.04 0.00 -0.15 0.00 0.00 55.06 55.43 3gov s HIS 532 Cb -0.19 -2.81 -0.00 0.00 1.11 0.00 0.00 32.58 30.69 3gov s HIS 532 CO -0.06 -0.37 -0.15 -0.51 -0.85 0.00 0.00 174.74 172.80 3gov s LEU 533 N 2.39 1.87 0.84 0.89 1.43 0.69 -5.00 118.68 121.79 3gov s LEU 533 Ca 0.21 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 3gov s LEU 533 Cb -0.15 -0.85 0.10 0.00 0.03 0.00 0.00 46.19 45.31 3gov s LEU 533 CO 0.10 0.12 1.11 -0.83 0.23 0.00 0.00 176.35 177.09 3gov s GLY 534 N 0.10 1.61 -0.12 -3.19 0.00 -1.26 -1.25 107.32 103.21 3gov s GLY 534 Ca -0.04 -0.28 -0.05 0.00 0.00 0.00 0.00 44.72 44.35 3gov s GLY 534 CO 0.02 0.19 0.05 0.14 0.00 0.00 0.00 173.10 173.49 3gov s VAL 535 N -3.17 4.70 -0.12 1.40 1.01 -1.26 -1.08 120.40 121.88 3gov s VAL 535 Ca 0.62 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.42 3gov s VAL 535 Cb -0.15 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3gov s VAL 535 CO 0.54 0.57 -0.17 1.17 0.00 0.00 0.00 175.10 177.21 3gov n LYS 536 N 2.52 0.36 -4.21 2.72 4.81 0.18 -4.50 118.16 120.04 3gov n LYS 536 Ca -0.18 0.39 -0.12 0.00 -0.87 0.00 0.00 58.31 57.52 3gov n LYS 536 Cb 0.54 -1.41 -0.10 0.00 0.02 0.00 0.00 35.03 34.07 3gov n LYS 536 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 3gov s HIS 537 N -2.09 1.16 0.01 5.64 3.76 -1.17 -4.86 115.29 117.74 3gov s HIS 537 Ca -0.14 -1.26 0.02 0.00 -0.15 0.00 0.00 55.06 53.53 3gov s HIS 537 Cb 0.02 -0.62 -0.01 0.00 1.11 0.00 0.00 32.58 33.08 3gov s HIS 537 CO 0.21 -0.49 -0.07 0.95 -0.85 0.00 0.00 174.74 174.49 3gov s THR 538 N -3.99 0.53 -0.19 1.30 -4.23 -1.26 -1.85 115.64 105.95 3gov s THR 538 Ca 0.33 -0.57 -0.04 0.00 -1.18 0.00 0.00 61.69 60.23 3gov s THR 538 Cb 0.07 -0.50 0.06 0.00 1.34 0.00 0.00 72.50 73.48 3gov s THR 538 CO 0.09 -0.05 0.08 -0.89 -0.54 0.00 0.00 174.62 173.31 3gov s THR 539 N -0.59 0.08 0.26 3.99 2.01 -0.45 -4.99 115.64 115.96 3gov s THR 539 Ca -0.02 -0.34 -0.15 0.00 0.31 0.00 0.00 61.69 61.49 3gov s THR 539 Cb -0.05 -0.75 -0.08 0.00 0.01 0.00 0.00 72.50 71.63 3gov s THR 539 CO 0.00 -0.32 0.68 -0.76 -0.69 0.00 0.00 174.62 173.53 3gov s LEU 540 N 2.06 4.17 0.19 4.42 1.43 -1.26 -0.82 118.68 128.87 3gov s LEU 540 Ca 0.02 1.22 -0.32 0.00 -1.03 0.00 0.00 54.13 54.02 3gov s LEU 540 Cb -0.16 -3.81 -0.15 0.00 0.03 0.00 0.00 46.19 42.09 3gov s LEU 540 CO -0.12 -0.10 1.15 1.57 0.23 0.00 0.00 176.35 179.08 3gov n HIS 541 N 0.03 1.33 -0.11 0.29 -0.00 -0.36 -4.84 115.22 111.56 3gov n HIS 541 Ca 0.01 0.67 0.15 0.00 -0.00 0.00 0.00 57.72 58.55 3gov n HIS 541 Cb 0.52 -2.28 0.53 0.00 -0.00 0.00 0.00 29.99 28.76 3gov n HIS 541 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3gov h PRO 542 N 3.21 0.33 -0.86 1.57 0.11 -1.92 -1.72 132.00 132.72 3gov h PRO 542 Ca -0.43 -0.02 -0.50 0.00 0.11 0.00 0.00 66.00 65.17 3gov h PRO 542 Cb 1.34 -0.08 -0.27 0.00 0.11 0.00 0.00 31.00 32.10 3gov h PRO 542 CO 0.69 0.22 0.49 1.04 -0.21 0.00 0.00 178.00 180.23 3gov n GLN 543 N -4.46 2.36 -2.33 1.05 3.00 -1.26 -4.99 117.38 110.75 3gov n GLN 543 Ca 0.12 -3.19 -0.41 0.00 -0.01 0.00 0.00 57.00 53.51 3gov n GLN 543 Cb 0.49 -2.14 -0.03 0.00 0.00 0.00 0.00 30.24 28.55 3gov n GLN 543 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 3gov s TYR 544 N -3.45 3.37 -0.25 1.08 5.04 -0.65 -4.53 117.35 117.97 3gov s TYR 544 Ca 0.56 1.41 0.03 0.00 -2.44 0.00 0.00 57.07 56.63 3gov s TYR 544 Cb 0.47 -3.47 0.05 0.00 0.35 0.00 0.00 41.96 39.36 3gov s TYR 544 CO 0.05 -1.33 -0.12 0.34 -1.34 0.00 0.00 175.55 173.15 3gov s ASP 545 N -0.02 4.21 0.28 4.32 -1.08 -0.83 -5.01 116.67 118.55 3gov s ASP 545 Ca 0.52 -1.28 0.24 0.00 -0.52 0.00 0.00 52.55 51.51 3gov s ASP 545 Cb -0.34 -1.50 1.04 0.00 -1.46 0.00 0.00 42.92 40.65 3gov s ASP 545 CO 0.39 -0.17 1.72 -0.81 0.52 0.00 0.00 175.17 176.82 3gov n PRO 546 N 4.48 0.20 0.00 4.34 -0.04 -1.26 -0.59 135.00 142.13 3gov n PRO 546 Ca -0.15 0.46 -0.21 0.00 -0.04 0.00 0.00 63.50 63.57 3gov n PRO 546 Cb 0.43 -1.91 -0.14 0.00 -0.04 0.00 0.00 33.50 31.84 3gov n PRO 546 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3gov n ASN 547 N -2.29 2.11 -0.61 3.54 3.02 -1.26 -4.38 115.26 115.39 3gov n ASN 547 Ca 0.02 0.20 0.10 0.00 -0.03 0.00 0.00 54.58 54.86 3gov n ASN 547 Cb 0.21 -0.84 0.03 0.00 -0.61 0.00 0.00 39.78 38.57 3gov n ASN 547 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3gov n THR 548 N -3.47 0.00 -1.82 3.41 -2.24 -1.16 -4.98 114.28 104.01 3gov n THR 548 Ca -0.32 -0.37 -0.19 0.00 -2.27 0.00 0.00 64.05 60.90 3gov n THR 548 Cb 1.05 1.32 -0.06 0.00 -2.10 0.00 0.00 70.33 70.53 3gov n THR 548 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3gov n PHE 549 N 0.43 -0.30 -3.20 4.78 3.01 0.25 -4.94 117.46 117.48 3gov n PHE 549 Ca 0.10 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.22 3gov n PHE 549 Cb 0.46 -3.40 -0.06 0.00 -0.01 0.00 0.00 39.48 36.48 3gov n PHE 549 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3gov s GLU 550 N -4.06 4.05 -1.47 -1.08 -1.05 -1.23 -3.61 118.70 110.25 3gov s GLU 550 Ca 0.00 0.65 -0.09 0.00 -0.15 0.00 0.00 54.97 55.38 3gov s GLU 550 Cb 0.00 -2.69 0.06 0.00 -0.44 0.00 0.00 34.13 31.06 3gov s GLU 550 CO 0.00 0.31 0.82 0.09 0.95 0.00 0.00 175.26 177.43 3gov n ASN 551 N 0.22 -3.13 -3.51 0.83 3.02 -1.26 -1.96 115.26 109.47 3gov n ASN 551 Ca -0.00 -0.84 -0.40 0.00 -0.03 0.00 0.00 54.58 53.31 3gov n ASN 551 Cb 0.52 -3.74 -0.01 0.00 -0.61 0.00 0.00 39.78 35.94 3gov n ASN 551 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3gov n ASP 552 N -2.90 6.93 -4.02 6.41 2.03 -1.24 -4.32 116.55 119.44 3gov n ASP 552 Ca -0.09 -2.78 -0.12 0.00 0.52 0.00 0.00 54.79 52.32 3gov n ASP 552 Cb 0.58 -1.55 -0.11 0.00 -0.72 0.00 0.00 41.12 39.32 3gov n ASP 552 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3gov s VAL 553 N 1.79 0.37 0.05 5.18 0.11 -1.26 -3.12 120.40 123.52 3gov s VAL 553 Ca 0.58 -0.96 -0.17 0.00 -2.93 0.00 0.00 61.98 58.50 3gov s VAL 553 Cb 0.16 -0.46 0.03 0.00 -1.53 0.00 0.00 36.38 34.58 3gov s VAL 553 CO -0.07 -0.40 0.39 0.00 -3.33 0.00 0.00 175.10 171.69 3gov s ALA 554 N -1.33 -0.92 -0.14 1.54 0.00 -0.23 -1.23 121.76 119.46 3gov s ALA 554 Ca -0.12 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.06 3gov s ALA 554 Cb -0.09 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.41 3gov s ALA 554 CO -0.00 -0.46 -0.15 -0.51 0.00 0.00 0.00 175.76 174.63 3gov s LEU 555 N -2.09 1.76 -0.37 0.00 1.43 0.00 -1.36 118.68 118.04 3gov s LEU 555 Ca -0.04 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 3gov s LEU 555 Cb -0.01 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 45.04 3gov s LEU 555 CO -0.03 -0.02 0.22 -0.69 0.23 0.00 0.00 176.35 176.06 3gov s VAL 556 N 1.26 4.78 0.02 -1.59 1.01 0.66 -1.34 120.40 125.20 3gov s VAL 556 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 3gov s VAL 556 Cb -0.14 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3gov s VAL 556 CO -0.07 -0.20 1.03 -0.70 0.00 0.00 0.00 175.10 175.16 3gov s GLU 557 N 1.60 4.54 0.31 2.72 2.12 -0.77 -0.95 118.70 128.27 3gov s GLU 557 Ca 0.03 1.51 -0.19 0.00 0.36 0.00 0.00 54.97 56.68 3gov s GLU 557 Cb -0.19 -3.43 -0.09 0.00 0.26 0.00 0.00 34.13 30.68 3gov s GLU 557 CO 0.08 -0.08 0.81 -0.51 -0.54 0.00 0.00 175.26 175.02 3gov s LEU 558 N 0.93 4.16 0.18 2.70 1.43 -1.00 -0.65 118.68 126.44 3gov s LEU 558 Ca 0.53 1.49 -0.00 0.00 -1.03 0.00 0.00 54.13 55.12 3gov s LEU 558 Cb -0.23 -4.02 0.08 0.00 0.03 0.00 0.00 46.19 42.04 3gov s LEU 558 CO 0.29 -0.15 1.44 0.25 0.23 0.00 0.00 176.35 178.41 3gov h LEU 559 N 2.67 0.43 -7.66 1.79 5.85 -1.33 -3.39 115.31 113.67 3gov h LEU 559 Ca -0.48 -0.29 -0.38 0.00 0.84 0.00 0.00 57.88 57.58 3gov h LEU 559 Cb 1.18 -0.13 -0.34 0.00 0.37 0.00 0.00 40.66 41.74 3gov h LEU 559 CO 0.64 1.02 -0.76 -1.83 -0.34 0.00 0.00 178.44 177.17 3gov s GLU 560 N -3.59 0.55 0.26 1.25 -1.05 -1.26 -4.95 118.70 109.91 3gov s GLU 560 Ca -0.05 -0.00 -0.29 0.00 -0.15 0.00 0.00 54.97 54.47 3gov s GLU 560 Cb 0.11 -0.67 -0.09 0.00 -0.44 0.00 0.00 34.13 33.03 3gov s GLU 560 CO 0.83 -0.12 0.95 -1.12 0.95 0.00 0.00 175.26 176.75 3gov s SER 561 N 1.04 7.57 0.71 0.83 0.01 -1.26 -4.77 113.70 117.83 3gov s SER 561 Ca -0.09 1.96 -0.12 0.00 1.31 0.00 0.00 55.95 59.01 3gov s SER 561 Cb -0.14 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.51 3gov s SER 561 CO -0.01 0.10 1.08 -2.16 0.41 0.00 0.00 173.24 172.65 3gov s PRO 562 N -1.34 2.69 -0.40 12.44 0.04 -1.26 -4.99 135.00 142.18 3gov s PRO 562 Ca 0.43 1.11 -0.25 0.00 0.04 0.00 0.00 61.00 62.33 3gov s PRO 562 Cb -0.25 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.35 3gov s PRO 562 CO 0.31 -1.30 0.86 0.08 0.04 0.00 0.00 177.00 176.99 3gov s VAL 563 N -2.86 4.62 0.32 -0.36 1.01 -1.26 -5.02 120.40 116.84 3gov s VAL 563 Ca 0.61 0.91 -0.29 0.00 0.00 0.00 0.00 61.98 63.21 3gov s VAL 563 Cb -0.16 -4.31 -0.10 0.00 0.00 0.00 0.00 36.38 31.81 3gov s VAL 563 CO 0.52 -0.59 1.24 -0.76 0.00 0.00 0.00 175.10 175.52 3gov s LEU 564 N 3.39 4.46 0.00 3.92 1.43 -1.26 -4.77 118.68 125.84 3gov s LEU 564 Ca 0.35 2.55 -0.00 0.00 -1.03 0.00 0.00 54.13 56.00 3gov s LEU 564 Cb -0.12 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.44 3gov s LEU 564 CO 0.20 -0.42 0.01 -0.46 0.23 0.00 0.00 176.35 175.91 3gov n ASN 565 N 0.89 -0.02 0.28 2.29 0.23 -0.24 -4.97 115.26 113.72 3gov n ASN 565 Ca -0.00 -1.01 0.12 0.00 -0.53 0.00 0.00 54.58 53.15 3gov n ASN 565 Cb 0.43 0.03 0.78 0.00 -2.08 0.00 0.00 39.78 38.94 3gov n ASN 565 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gov h ALA 566 N 2.00 1.76 0.00 -2.53 0.00 -1.99 -2.56 119.26 115.94 3gov h ALA 566 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gov h ALA 566 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3gov h ALA 566 CO 0.00 0.00 -1.18 1.19 0.00 0.00 0.00 179.25 179.27 3gov n PHE 567 N -4.19 0.00 -3.64 0.00 3.01 -1.26 -4.82 117.46 106.56 3gov n PHE 567 Ca -0.03 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.14 3gov n PHE 567 Cb 0.09 -0.14 -0.15 0.00 -0.01 0.00 0.00 39.48 39.26 3gov n PHE 567 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3gov s VAL 568 N -2.88 0.35 0.02 -4.37 1.01 -0.96 -4.11 120.40 109.46 3gov s VAL 568 Ca 0.02 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 3gov s VAL 568 Cb 0.13 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.30 3gov s VAL 568 CO 0.74 -0.62 0.17 0.00 0.00 0.00 0.00 175.10 175.40 3gov s MET 569 N 1.90 0.61 0.61 2.72 0.23 -1.06 -1.08 119.30 123.23 3gov s MET 569 Ca 0.08 -0.53 -0.14 0.00 -1.03 0.00 0.00 55.69 54.06 3gov s MET 569 Cb -0.17 0.25 -0.03 0.00 -1.53 0.00 0.00 34.83 33.36 3gov s MET 569 CO -0.27 -0.16 1.05 -1.25 -2.03 0.00 0.00 175.02 172.35 3gov s PRO 570 N -2.08 3.33 0.18 3.16 0.04 -1.26 -2.85 135.00 135.51 3gov s PRO 570 Ca -0.09 1.08 -0.16 0.00 0.04 0.00 0.00 61.00 61.87 3gov s PRO 570 Cb -0.04 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 3gov s PRO 570 CO -0.01 -0.79 0.61 -1.50 0.04 0.00 0.00 177.00 175.35 3gov s ILE 571 N -2.67 4.76 0.34 0.56 1.10 -0.55 -4.88 121.20 119.86 3gov s ILE 571 Ca 0.61 0.96 -0.25 0.00 -0.51 0.00 0.00 60.65 61.46 3gov s ILE 571 Cb -0.14 -3.76 -0.10 0.00 0.15 0.00 0.00 42.46 38.61 3gov s ILE 571 CO 0.42 0.19 0.98 0.00 -2.11 0.00 0.00 174.94 174.42 3gov s LEU 573 N -2.23 3.76 0.22 0.00 1.43 -1.26 -0.90 118.68 119.70 3gov s LEU 573 Ca 0.52 2.30 -0.30 0.00 -1.03 0.00 0.00 54.13 55.62 3gov s LEU 573 Cb -0.19 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.41 3gov s LEU 573 CO 0.25 -1.32 1.19 -2.16 0.23 0.00 0.00 176.35 174.53 3gov s PRO 574 N -3.20 4.51 -0.05 1.29 0.04 -1.25 -4.76 135.00 131.59 3gov s PRO 574 Ca 0.73 1.89 -0.24 0.00 0.04 0.00 0.00 61.00 63.42 3gov s PRO 574 Cb -0.28 -3.21 -0.24 0.00 0.04 0.00 0.00 34.50 30.81 3gov s PRO 574 CO 0.31 -0.03 1.02 0.93 0.04 0.00 0.00 177.00 179.27 3gov h GLU 575 N 4.77 0.20 0.00 4.56 4.39 -1.94 -3.47 114.58 123.09 3gov h GLU 575 Ca -0.45 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.02 3gov h GLU 575 Cb 1.21 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 3gov h GLU 575 CO 0.72 0.96 0.00 0.41 -1.16 0.00 0.00 179.01 179.95 3gov n GLY 576 N 1.10 4.59 3.94 -3.84 0.00 -1.26 -5.15 105.19 104.57 3gov n GLY 576 Ca -0.10 -1.78 -0.28 0.00 0.00 0.00 0.00 46.02 43.86 3gov n GLY 576 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gov s PRO 577 N -1.23 1.03 -0.15 1.61 0.04 -1.26 -4.91 135.00 130.13 3gov s PRO 577 Ca 0.00 -0.48 -0.08 0.00 0.04 0.00 0.00 61.00 60.48 3gov s PRO 577 Cb 0.00 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 3gov s PRO 577 CO 0.00 -2.11 0.13 -0.65 0.04 0.00 0.00 177.00 174.41 3gov s GLN 578 N -5.70 3.68 0.35 4.56 -1.52 -1.26 -5.08 119.66 114.70 3gov s GLN 578 Ca 0.71 -0.17 -0.25 0.00 -1.95 0.00 0.00 55.36 53.70 3gov s GLN 578 Cb -0.05 -3.25 -0.10 0.00 -0.22 0.00 0.00 33.01 29.38 3gov s GLN 578 CO 0.51 0.61 0.95 -0.65 -0.25 0.00 0.00 175.29 176.46 3gov s GLN 579 N -0.55 4.50 0.24 2.91 1.11 -1.26 -4.99 119.66 121.62 3gov s GLN 579 Ca 0.12 1.30 -0.31 0.00 0.01 0.00 0.00 55.36 56.48 3gov s GLN 579 Cb -0.12 -2.67 -0.11 0.00 -1.01 0.00 0.00 33.01 29.10 3gov s GLN 579 CO 0.02 0.20 1.65 -2.00 0.01 0.00 0.00 175.29 175.17 3gov s GLU 580 N -2.29 4.13 0.00 2.91 2.12 -1.26 -2.92 118.70 121.39 3gov s GLU 580 Ca 0.53 2.57 0.00 0.00 0.36 0.00 0.00 54.97 58.43 3gov s GLU 580 Cb -0.17 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.16 3gov s GLU 580 CO 0.22 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 3gov n GLY 581 N 3.17 0.45 3.77 -1.50 0.00 -0.82 -4.98 105.19 105.28 3gov n GLY 581 Ca 0.12 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 3gov n GLY 581 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gov s ALA 582 N -2.00 3.09 -0.25 4.61 0.00 -1.15 -4.56 121.76 121.51 3gov s ALA 582 Ca 0.00 0.98 -0.21 0.00 0.00 0.00 0.00 51.96 52.73 3gov s ALA 582 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 3gov s ALA 582 CO 0.00 -0.60 0.67 -1.64 0.00 0.00 0.00 175.76 174.19 3gov s MET 583 N -2.44 4.13 0.37 0.00 -1.94 -1.26 -0.89 119.30 117.27 3gov s MET 583 Ca 0.59 0.64 0.08 0.00 -1.71 0.00 0.00 55.69 55.29 3gov s MET 583 Cb -0.31 -3.64 -0.06 0.00 2.01 0.00 0.00 34.83 32.83 3gov s MET 583 CO 0.38 -0.42 0.05 0.14 -0.01 0.00 0.00 175.02 175.16 3gov s VAL 584 N 2.54 2.41 -0.19 -6.03 -7.23 -0.54 -4.73 120.40 106.63 3gov s VAL 584 Ca 0.28 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 3gov s VAL 584 Cb -0.15 -2.88 0.04 0.00 0.56 0.00 0.00 36.38 33.94 3gov s VAL 584 CO 0.08 -0.11 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.01 3gov s ILE 585 N -2.58 1.69 -0.18 -0.62 1.01 0.51 -1.86 121.20 119.17 3gov s ILE 585 Ca 0.36 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 3gov s ILE 585 Cb 0.03 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 3gov s ILE 585 CO 0.20 0.28 0.06 -0.69 0.00 0.00 0.00 174.94 174.79 3gov s VAL 586 N 1.40 4.79 0.08 2.92 1.01 -0.39 -1.46 120.40 128.75 3gov s VAL 586 Ca 0.01 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.01 3gov s VAL 586 Cb -0.15 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 3gov s VAL 586 CO -0.09 0.47 -0.16 -0.44 0.00 0.00 0.00 175.10 174.88 3gov s SER 587 N 0.26 1.98 0.00 3.32 0.01 -1.10 -0.72 113.70 117.45 3gov s SER 587 Ca 0.04 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.65 3gov s SER 587 Cb -0.12 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.03 3gov s SER 587 CO 0.00 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.23 3gov n GLY 588 N 1.20 0.39 0.35 3.44 0.00 -0.44 -4.08 105.19 106.05 3gov n GLY 588 Ca -0.21 -0.93 0.03 0.00 0.00 0.00 0.00 46.02 44.92 3gov n GLY 588 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3gov n TRP 589 N -0.25 0.27 -0.84 1.61 8.01 -1.26 -1.61 117.44 123.37 3gov n TRP 589 Ca 0.00 -0.54 -0.03 0.00 -1.31 0.00 0.00 57.50 55.63 3gov n TRP 589 Cb 0.00 -0.05 0.02 0.00 -2.01 0.00 0.00 31.31 29.27 3gov n TRP 589 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3gov n GLY 590 N -0.04 -1.76 3.71 6.99 0.00 -1.25 -4.60 105.19 108.25 3gov n GLY 590 Ca 0.07 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 3gov n GLY 590 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gov s LYS 591 N -3.23 1.53 0.16 1.61 1.02 -0.12 -3.12 119.74 117.59 3gov s LYS 591 Ca 0.06 1.41 0.01 0.00 0.02 0.00 0.00 55.97 57.47 3gov s LYS 591 Cb -0.00 -1.80 -0.00 0.00 -0.52 0.00 0.00 37.83 35.51 3gov s LYS 591 CO 0.05 -2.23 0.03 0.00 -0.92 0.00 0.00 175.35 172.28 3gov n GLN 592 N -3.92 1.12 -2.22 1.68 10.64 -0.78 0.76 117.38 124.67 3gov n GLN 592 Ca 0.11 -1.29 -0.40 0.00 -1.83 0.00 0.00 57.00 53.59 3gov n GLN 592 Cb 0.52 0.55 -0.02 0.00 -0.86 0.00 0.00 30.24 30.43 3gov n GLN 592 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 3gov s PHE 593 N -1.92 3.14 0.00 2.61 5.99 -1.26 -0.59 117.98 125.95 3gov s PHE 593 Ca 0.04 1.50 0.00 0.00 0.00 0.00 0.00 56.93 58.47 3gov s PHE 593 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 43.02 39.48 3gov s PHE 593 CO 0.03 -1.51 0.00 1.28 -0.00 0.00 0.00 175.22 175.02 3gov n LEU 594 N 0.69 0.45 -3.60 6.12 4.77 -1.26 -4.32 117.00 119.85 3gov n LEU 594 Ca 0.01 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.73 3gov n LEU 594 Cb 0.43 -1.22 0.04 0.00 -2.33 0.00 0.00 43.42 40.35 3gov n LEU 594 CO 0.56 -0.39 -0.06 0.00 -1.33 0.00 0.00 177.39 176.17 3gov n GLN 595 N -1.40 -2.17 -3.27 3.23 6.02 0.24 -5.04 117.38 114.98 3gov n GLN 595 Ca 0.00 0.57 -0.18 0.00 -0.01 0.00 0.00 57.00 57.38 3gov n GLN 595 Cb 0.17 -4.69 0.00 0.00 1.02 0.00 0.00 30.24 26.74 3gov n GLN 595 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3gov s ARG 596 N -5.66 2.97 -0.08 -1.09 0.52 -1.25 -4.90 118.95 109.46 3gov s ARG 596 Ca 0.37 -1.13 -0.01 0.00 -0.52 0.00 0.00 55.73 54.44 3gov s ARG 596 Cb -0.11 -2.78 -0.03 0.00 0.52 0.00 0.00 34.95 32.55 3gov s ARG 596 CO 0.83 -0.09 -0.02 -0.06 0.02 0.00 0.00 175.30 175.98 3gov s PHE 597 N -2.26 3.10 0.63 -0.53 0.40 -1.26 -1.86 117.98 116.20 3gov s PHE 597 Ca 0.49 0.15 -0.13 0.00 -0.60 0.00 0.00 56.93 56.84 3gov s PHE 597 Cb -0.10 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.65 3gov s PHE 597 CO 0.32 0.43 1.05 -1.25 0.70 0.00 0.00 175.22 176.47 3gov s PRO 598 N -0.88 3.25 0.34 0.24 0.04 -1.26 -4.95 135.00 131.78 3gov s PRO 598 Ca 0.13 1.01 0.14 0.00 0.04 0.00 0.00 61.00 62.32 3gov s PRO 598 Cb -0.11 -2.03 0.62 0.00 0.04 0.00 0.00 34.50 33.02 3gov s PRO 598 CO 0.02 -0.86 1.75 0.93 0.04 0.00 0.00 177.00 178.88 3gov h GLU 599 N -0.13 0.00 -5.50 4.56 5.08 -1.98 -3.42 114.58 113.19 3gov h GLU 599 Ca -0.45 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.48 3gov h GLU 599 Cb 1.21 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.30 3gov h GLU 599 CO 0.58 0.45 -0.74 0.99 -1.00 0.00 0.00 179.01 179.28 3gov s THR 600 N -3.89 1.55 0.24 1.13 2.01 -1.26 -1.48 115.64 113.94 3gov s THR 600 Ca -0.02 -2.01 -0.31 0.00 0.31 0.00 0.00 61.69 59.66 3gov s THR 600 Cb 0.13 -1.84 -0.13 0.00 0.01 0.00 0.00 72.50 70.67 3gov s THR 600 CO 0.72 -0.53 1.41 -0.11 -0.69 0.00 0.00 174.62 175.43 3gov n LEU 601 N 0.00 3.16 -4.57 4.42 7.94 -0.64 -4.79 117.00 122.52 3gov n LEU 601 Ca -0.11 1.14 -0.26 0.00 -1.11 0.00 0.00 56.01 55.67 3gov n LEU 601 Cb 0.59 -1.43 -0.09 0.00 0.53 0.00 0.00 43.42 43.01 3gov n LEU 601 CO 0.31 -0.46 -0.41 -0.04 -1.11 0.00 0.00 177.39 175.68 3gov s MET 602 N -0.42 2.04 0.01 1.96 -1.94 -0.63 -1.12 119.30 119.19 3gov s MET 602 Ca 0.68 -1.32 -0.05 0.00 -1.71 0.00 0.00 55.69 53.29 3gov s MET 602 Cb -0.64 -2.12 -0.01 0.00 2.01 0.00 0.00 34.83 34.07 3gov s MET 602 CO 0.50 0.42 0.08 -1.83 -0.01 0.00 0.00 175.02 174.18 3gov s GLU 603 N -2.96 0.41 0.14 2.03 -1.05 -0.23 -1.33 118.70 115.72 3gov s GLU 603 Ca 0.26 -0.44 0.10 0.00 -0.15 0.00 0.00 54.97 54.73 3gov s GLU 603 Cb -0.08 0.16 -0.04 0.00 -0.44 0.00 0.00 34.13 33.73 3gov s GLU 603 CO 0.15 -0.09 -0.22 0.96 0.95 0.00 0.00 175.26 177.01 3gov s ILE 604 N -1.34 1.98 -0.24 1.83 -4.36 0.10 -1.23 121.20 117.95 3gov s ILE 604 Ca -0.14 -1.79 -0.03 0.00 -0.26 0.00 0.00 60.65 58.43 3gov s ILE 604 Cb -0.08 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 41.80 3gov s ILE 604 CO 0.01 -0.11 -0.05 -0.70 0.24 0.00 0.00 174.94 174.32 3gov s GLU 605 N -2.34 3.04 0.04 0.37 2.12 -1.26 -1.26 118.70 119.41 3gov s GLU 605 Ca 0.13 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.63 3gov s GLU 605 Cb -0.08 -3.00 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 3gov s GLU 605 CO 0.06 -0.33 -0.06 0.96 -0.54 0.00 0.00 175.26 175.35 3gov s ILE 606 N 1.39 0.43 0.40 -3.70 -4.36 -0.78 -4.95 121.20 109.63 3gov s ILE 606 Ca 0.03 -1.14 -0.23 0.00 -0.26 0.00 0.00 60.65 59.05 3gov s ILE 606 Cb -0.16 -0.65 -0.10 0.00 1.25 0.00 0.00 42.46 42.80 3gov s ILE 606 CO -0.04 -0.48 0.97 -2.16 0.24 0.00 0.00 174.94 173.47 3gov s PRO 607 N -1.83 4.29 0.18 0.37 0.04 -1.26 -1.47 135.00 135.33 3gov s PRO 607 Ca -0.09 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 3gov s PRO 607 Cb -0.08 -2.41 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 3gov s PRO 607 CO -0.01 0.02 1.12 0.42 0.04 0.00 0.00 177.00 178.59 3gov s ILE 608 N -1.92 3.79 -0.08 0.56 1.01 -0.07 -2.01 121.20 122.48 3gov s ILE 608 Ca 0.58 1.55 -0.08 0.00 0.00 0.00 0.00 60.65 62.70 3gov s ILE 608 Cb -0.14 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 3gov s ILE 608 CO 0.19 0.27 0.20 -0.69 0.00 0.00 0.00 174.94 174.91 3gov s VAL 609 N -0.26 5.40 0.30 2.92 1.01 0.83 -1.95 120.40 128.66 3gov s VAL 609 Ca 0.50 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 3gov s VAL 609 Cb -0.30 -3.48 -0.12 0.00 0.00 0.00 0.00 36.38 32.48 3gov s VAL 609 CO 0.36 0.57 1.48 -0.67 0.00 0.00 0.00 175.10 176.84 3gov n ASP 610 N 1.82 3.39 -0.36 3.32 2.03 -1.26 -4.32 116.55 121.17 3gov n ASP 610 Ca -0.18 1.17 0.09 0.00 0.52 0.00 0.00 54.79 56.39 3gov n ASP 610 Cb 0.54 -1.54 0.27 0.00 -0.72 0.00 0.00 41.12 39.67 3gov n ASP 610 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 3gov h HIS 611 N 3.98 1.12 0.45 -0.67 -0.00 -1.95 -2.53 115.15 115.55 3gov h HIS 611 Ca -0.47 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 59.91 3gov h HIS 611 Cb 1.25 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 28.32 3gov h HIS 611 CO 0.56 0.38 -0.22 1.03 -0.00 0.00 0.00 177.93 179.68 3gov h SER 612 N 0.92 -0.52 0.55 3.26 0.87 -1.98 -2.29 113.55 114.36 3gov h SER 612 Ca 0.52 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 3gov h SER 612 Cb 0.63 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 3gov h SER 612 CO -0.30 -0.24 0.00 0.35 -0.53 0.00 0.00 176.83 176.11 3gov n THR 613 N -5.28 0.92 -0.02 2.23 -2.24 -1.11 -1.32 114.28 107.46 3gov n THR 613 Ca -0.11 0.33 -0.16 0.00 -2.27 0.00 0.00 64.05 61.84 3gov n THR 613 Cb 0.29 -1.26 -0.09 0.00 -2.10 0.00 0.00 70.33 67.17 3gov n THR 613 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gov h GLN 615 N 0.05 0.66 0.00 0.00 4.20 -0.63 -2.35 115.11 117.05 3gov h GLN 615 Ca -0.04 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 3gov h GLN 615 Cb 1.18 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 3gov h GLN 615 CO 0.11 0.62 -0.25 0.87 -0.67 0.00 0.00 178.83 179.51 3gov h LYS 616 N 0.57 0.00 -0.05 1.46 1.57 -1.42 -2.51 116.57 116.19 3gov h LYS 616 Ca 0.14 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.72 3gov h LYS 616 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3gov h LYS 616 CO -0.01 0.25 -0.82 0.00 -0.57 0.00 0.00 179.45 178.30 3gov h ALA 617 N 1.75 0.50 -0.33 3.86 0.00 -1.22 -3.20 119.26 120.63 3gov h ALA 617 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3gov h ALA 617 Cb 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3gov h ALA 617 CO 0.03 0.79 0.00 0.66 0.00 0.00 0.00 179.25 180.73 3gov n TYR 618 N -3.80 0.43 -3.90 0.00 4.02 -0.90 -4.30 117.16 108.71 3gov n TYR 618 Ca -0.05 -0.22 -0.30 0.00 -0.01 0.00 0.00 57.90 57.32 3gov n TYR 618 Cb 0.76 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.93 3gov n TYR 618 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3gov s ALA 619 N -1.57 2.26 0.00 -0.72 0.00 -0.97 -0.39 121.76 120.38 3gov s ALA 619 Ca 0.27 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 50.15 3gov s ALA 619 Cb 0.14 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.48 3gov s ALA 619 CO 0.19 -1.63 0.00 -2.30 0.00 0.00 0.00 175.76 172.02 3gov n PRO 620 N 4.53 0.00 -0.07 0.00 -0.02 -1.26 -4.82 135.00 133.35 3gov n PRO 620 Ca -0.00 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.56 3gov n PRO 620 Cb 0.42 0.00 0.12 0.00 -0.02 0.00 0.00 33.50 34.02 3gov n PRO 620 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3gov n LEU 621 N 0.00 2.36 -3.94 2.45 4.77 0.48 -4.76 117.00 118.36 3gov n LEU 621 Ca 0.00 -2.84 -0.31 0.00 -0.03 0.00 0.00 56.01 52.83 3gov n LEU 621 Cb 0.00 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3gov n LEU 621 CO 0.00 0.66 -0.17 0.29 -1.33 0.00 0.00 177.39 176.85 3gov n LYS 622 N -1.17 -0.56 -3.86 3.23 5.02 -1.25 -5.02 118.16 114.56 3gov n LYS 622 Ca 0.13 -0.08 -0.23 0.00 -2.02 0.00 0.00 58.31 56.11 3gov n LYS 622 Cb 0.57 -1.67 -0.17 0.00 -0.02 0.00 0.00 35.03 33.74 3gov n LYS 622 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3gov s LYS 623 N -6.62 0.73 0.05 1.97 1.02 -1.12 -5.09 119.74 110.67 3gov s LYS 623 Ca 0.27 0.04 -0.21 0.00 0.02 0.00 0.00 55.97 56.09 3gov s LYS 623 Cb -0.15 -0.99 -0.06 0.00 -0.52 0.00 0.00 37.83 36.10 3gov s LYS 623 CO 0.69 -0.26 0.63 -1.59 -0.92 0.00 0.00 175.35 173.90 3gov s LYS 624 N 1.74 4.33 -0.35 1.68 0.00 -1.26 -4.53 119.74 121.34 3gov s LYS 624 Ca 0.02 0.83 -0.04 0.00 0.00 0.00 0.00 55.97 56.77 3gov s LYS 624 Cb -0.13 -3.30 0.06 0.00 0.00 0.00 0.00 37.83 34.47 3gov s LYS 624 CO -0.04 0.48 0.11 0.08 0.00 0.00 0.00 175.35 175.97 3gov s VAL 625 N -0.63 3.46 0.62 1.79 1.01 -1.26 -5.03 120.40 120.35 3gov s VAL 625 Ca 0.32 -1.45 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 3gov s VAL 625 Cb -0.20 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.16 3gov s VAL 625 CO 0.20 -0.30 0.87 0.42 0.00 0.00 0.00 175.10 176.29 3gov s THR 626 N 1.30 2.50 0.41 3.92 -4.23 -1.26 -4.87 115.64 113.40 3gov s THR 626 Ca -0.00 -0.52 0.15 0.00 -1.18 0.00 0.00 61.69 60.14 3gov s THR 626 Cb -0.21 -2.97 0.36 0.00 1.34 0.00 0.00 72.50 71.02 3gov s THR 626 CO -0.00 0.00 1.87 0.03 -0.54 0.00 0.00 174.62 175.98 3gov h ARG 627 N -0.20 0.46 0.00 3.99 3.08 -2.01 -0.85 114.38 118.84 3gov h ARG 627 Ca -0.43 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3gov h ARG 627 Cb 1.30 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3gov h ARG 627 CO 0.54 0.30 0.00 -0.40 -1.07 0.00 0.00 179.97 179.34 3gov n ASP 628 N -4.52 0.00 -4.44 7.04 5.68 -1.26 -4.75 116.55 114.31 3gov n ASP 628 Ca 0.18 -1.09 -0.30 0.00 -0.50 0.00 0.00 54.79 53.08 3gov n ASP 628 Cb 0.61 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.46 3gov n ASP 628 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 3gov s MET 629 N -2.00 1.96 0.07 0.11 -1.94 -0.33 -0.11 119.30 117.06 3gov s MET 629 Ca 0.18 -1.05 0.07 0.00 -1.71 0.00 0.00 55.69 53.18 3gov s MET 629 Cb 0.08 -2.13 -0.03 0.00 2.01 0.00 0.00 34.83 34.76 3gov s MET 629 CO 0.14 0.52 -0.18 -1.50 -0.01 0.00 0.00 175.02 173.99 3gov s ILE 630 N -0.93 1.47 -0.01 2.53 2.07 0.99 -4.73 121.20 122.58 3gov s ILE 630 Ca 0.14 -1.29 0.05 0.00 -1.41 0.00 0.00 60.65 58.14 3gov s ILE 630 Cb -0.10 -1.33 -0.03 0.00 0.13 0.00 0.00 42.46 41.13 3gov s ILE 630 CO 0.05 -0.00 -0.15 0.00 -1.91 0.00 0.00 174.94 172.93 3gov s ALA 632 N -0.83 0.94 0.00 0.00 0.00 -0.40 -0.12 121.76 121.35 3gov s ALA 632 Ca 0.13 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.56 3gov s ALA 632 Cb -0.11 1.03 0.00 0.00 0.00 0.00 0.00 23.12 24.04 3gov s ALA 632 CO 0.03 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.68 3gov n GLY 633 N -0.15 1.71 3.66 0.00 0.00 -0.85 -0.92 105.19 108.64 3gov n GLY 633 Ca -0.03 -2.08 -0.23 0.00 0.00 0.00 0.00 46.02 43.68 3gov n GLY 633 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gov s GLU 634 N -1.90 2.32 0.11 1.61 2.02 -1.26 -4.62 118.70 116.98 3gov s GLU 634 Ca 0.00 -1.43 -0.21 0.00 0.02 0.00 0.00 54.97 53.35 3gov s GLU 634 Cb 0.00 -2.17 -0.10 0.00 0.10 0.00 0.00 34.13 31.96 3gov s GLU 634 CO 0.00 0.32 1.76 -0.22 0.02 0.00 0.00 175.26 177.14 3gov h LYS 635 N 1.82 0.13 -0.98 1.61 3.64 -1.98 -2.03 116.57 118.79 3gov h LYS 635 Ca -0.44 -0.01 0.25 0.00 -1.27 0.00 0.00 60.65 59.18 3gov h LYS 635 Cb 1.25 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 3gov h LYS 635 CO 0.61 0.09 0.66 0.93 -2.27 0.00 0.00 179.45 179.47 3gov h GLU 636 N 0.14 0.27 0.00 1.90 5.08 -1.95 0.86 114.58 120.87 3gov h GLU 636 Ca 0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3gov h GLU 636 Cb -0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3gov h GLU 636 CO -0.02 0.18 0.00 0.41 -1.00 0.00 0.00 179.01 178.58 3gov n GLY 637 N -1.57 -1.07 0.68 -3.84 0.00 -0.76 -3.85 105.19 94.78 3gov n GLY 637 Ca 0.22 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3gov n GLY 637 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gov n GLY 638 N 0.00 1.60 3.62 -0.02 0.00 -1.26 -4.70 105.19 104.42 3gov n GLY 638 Ca 0.00 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 3gov n GLY 638 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gov s LYS 639 N 0.00 3.81 0.13 1.61 1.02 -1.26 -4.31 119.74 120.74 3gov s LYS 639 Ca 0.00 1.08 -0.24 0.00 0.02 0.00 0.00 55.97 56.82 3gov s LYS 639 Cb 0.00 -3.92 0.07 0.00 -0.52 0.00 0.00 37.83 33.47 3gov s LYS 639 CO 0.00 -1.26 0.68 0.34 -0.92 0.00 0.00 175.35 174.19 3gov s ASP 640 N 3.02 -0.50 0.68 2.83 2.15 -1.13 -4.71 116.67 119.01 3gov s ASP 640 Ca 0.56 -0.05 -0.07 0.00 0.43 0.00 0.00 52.55 53.42 3gov s ASP 640 Cb -0.15 0.56 0.04 0.00 -0.30 0.00 0.00 42.92 43.07 3gov s ASP 640 CO 0.26 -0.91 1.00 0.00 -0.17 0.00 0.00 175.17 175.35 3gov s ALA 641 N -3.61 3.13 0.00 3.66 0.00 -1.26 -0.04 121.76 123.65 3gov s ALA 641 Ca 0.03 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3gov s ALA 641 Cb -0.01 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.43 3gov s ALA 641 CO -0.11 -1.15 0.00 0.00 0.00 0.00 0.00 175.76 174.51 3gov n ALA 643 N -3.00 1.34 0.00 0.00 0.00 -1.26 -1.10 120.51 116.49 3gov n ALA 643 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3gov n ALA 643 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.04 3gov n ALA 643 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gov n GLY 644 N 3.75 1.47 0.18 0.00 0.00 -1.26 -0.95 105.19 108.38 3gov n GLY 644 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3gov n GLY 644 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gov n ASP 645 N 0.00 1.05 -4.57 1.61 8.00 -0.26 -3.84 116.55 118.54 3gov n ASP 645 Ca 0.00 -0.83 -0.51 0.00 0.71 0.00 0.00 54.79 54.15 3gov n ASP 645 Cb 0.00 0.35 -0.05 0.00 -0.02 0.00 0.00 41.12 41.40 3gov n ASP 645 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3gov n SER 646 N -0.91 1.30 0.00 -2.24 7.64 -1.25 -0.86 113.62 117.30 3gov n SER 646 Ca 0.09 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.10 3gov n SER 646 Cb 0.36 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 3gov n SER 646 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gov n GLY 647 N 2.21 2.05 3.72 0.23 0.00 -0.15 -0.71 105.19 112.55 3gov n GLY 647 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3gov n GLY 647 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gov s GLY 648 N -1.95 1.94 0.23 -0.02 0.00 -0.04 -3.35 107.32 104.13 3gov s GLY 648 Ca 0.00 0.60 -0.30 0.00 0.00 0.00 0.00 44.72 45.03 3gov s GLY 648 CO 0.00 1.00 1.01 2.56 0.00 0.00 0.00 173.10 177.67 3gov s PRO 649 N -4.42 4.74 -0.27 2.90 0.04 -1.26 -1.39 135.00 135.35 3gov s PRO 649 Ca 0.68 1.61 -0.04 0.00 0.04 0.00 0.00 61.00 63.28 3gov s PRO 649 Cb -0.23 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.06 3gov s PRO 649 CO 0.52 0.34 0.01 1.41 0.04 0.00 0.00 177.00 179.32 3gov s MET 650 N -1.02 2.96 0.20 4.56 1.75 0.89 -2.70 119.30 125.94 3gov s MET 650 Ca 0.44 -0.92 0.08 0.00 -1.25 0.00 0.00 55.69 54.03 3gov s MET 650 Cb -0.28 -3.18 -0.05 0.00 2.84 0.00 0.00 34.83 34.16 3gov s MET 650 CO 0.35 -0.42 -0.15 0.14 -0.65 0.00 0.00 175.02 174.29 3gov s VAL 651 N 1.41 1.72 0.20 10.11 -7.23 -0.53 -0.00 120.40 126.07 3gov s VAL 651 Ca 0.01 -2.18 0.01 0.00 -1.81 0.00 0.00 61.98 58.01 3gov s VAL 651 Cb -0.17 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 3gov s VAL 651 CO -0.01 -0.58 0.04 0.42 -0.31 0.00 0.00 175.10 174.66 3gov s THR 652 N -2.92 0.58 -0.07 5.32 -4.23 -0.61 -0.37 115.64 113.36 3gov s THR 652 Ca 0.22 -1.98 -0.14 0.00 -1.18 0.00 0.00 61.69 58.60 3gov s THR 652 Cb -0.01 -2.31 -0.05 0.00 1.34 0.00 0.00 72.50 71.47 3gov s THR 652 CO 0.07 -0.29 0.37 -0.22 -0.54 0.00 0.00 174.62 174.00 3gov s LEU 653 N -3.21 4.39 0.05 4.79 2.96 -1.26 -1.28 118.68 125.11 3gov s LEU 653 Ca 0.29 0.79 -0.05 0.00 -0.22 0.00 0.00 54.13 54.94 3gov s LEU 653 Cb 0.07 -2.50 -0.05 0.00 0.50 0.00 0.00 46.19 44.21 3gov s LEU 653 CO 0.07 0.24 0.29 0.21 -1.32 0.00 0.00 176.35 175.84 3gov s ASN 654 N -0.48 6.47 0.05 3.68 3.04 0.70 -4.98 114.94 123.43 3gov s ASN 654 Ca 0.22 0.52 0.01 0.00 0.04 0.00 0.00 52.86 53.65 3gov s ASN 654 Cb -0.15 -2.07 -0.03 0.00 -1.54 0.00 0.00 41.25 37.46 3gov s ASN 654 CO 0.10 0.19 -0.06 -0.13 -3.04 0.00 0.00 177.10 174.16 3gov s ARG 655 N -2.10 0.56 -0.17 0.43 1.81 -1.26 -1.99 118.95 116.23 3gov s ARG 655 Ca 0.32 -0.90 0.03 0.00 -1.72 0.00 0.00 55.73 53.46 3gov s ARG 655 Cb -0.13 -0.15 0.32 0.00 -0.45 0.00 0.00 34.95 34.54 3gov s ARG 655 CO 0.20 0.00 1.31 0.39 -0.68 0.00 0.00 175.30 176.52 3gov n GLU 656 N 1.02 1.88 0.10 3.54 -0.58 -1.26 -4.90 120.64 120.44 3gov n GLU 656 Ca -0.20 -1.35 -0.05 0.00 -0.42 0.00 0.00 57.16 55.14 3gov n GLU 656 Cb 0.57 -1.61 0.07 0.00 -0.57 0.00 0.00 31.44 29.89 3gov n GLU 656 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gov h ARG 657 N 0.81 0.13 -0.56 3.49 3.08 -2.01 -3.47 114.38 115.84 3gov h ARG 657 Ca 0.21 -0.11 -0.21 0.00 0.07 0.00 0.00 59.98 59.93 3gov h ARG 657 Cb 1.65 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 31.65 3gov h ARG 657 CO 0.42 0.81 -0.20 0.41 -1.07 0.00 0.00 179.97 180.34 3gov n GLY 658 N 0.57 1.09 3.86 0.04 0.00 -0.84 -5.02 105.19 104.89 3gov n GLY 658 Ca -0.02 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 3gov n GLY 658 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gov s GLN 659 N -3.00 3.32 -0.14 1.61 -0.21 -1.21 -4.89 119.66 115.13 3gov s GLN 659 Ca 0.00 -0.33 -0.09 0.00 0.02 0.00 0.00 55.36 54.96 3gov s GLN 659 Cb 0.00 -3.04 -0.04 0.00 1.00 0.00 0.00 33.01 30.93 3gov s GLN 659 CO 0.00 0.69 0.16 -1.58 -2.12 0.00 0.00 175.29 172.44 3gov s TRP 660 N -1.21 3.54 -0.02 0.91 0.52 -1.26 -0.22 118.94 121.20 3gov s TRP 660 Ca 0.23 0.49 0.05 0.00 0.02 0.00 0.00 56.10 56.89 3gov s TRP 660 Cb -0.12 -2.04 -0.01 0.00 -1.15 0.00 0.00 33.47 30.15 3gov s TRP 660 CO 0.14 0.58 -0.16 0.71 0.02 0.00 0.00 176.95 178.23 3gov s TYR 661 N -0.54 1.49 -0.22 -1.98 2.02 -0.40 -2.96 117.35 114.77 3gov s TYR 661 Ca 0.13 -0.33 -0.27 0.00 -0.37 0.00 0.00 57.07 56.23 3gov s TYR 661 Cb -0.12 -0.98 0.00 0.00 -0.40 0.00 0.00 41.96 40.46 3gov s TYR 661 CO 0.03 -0.07 0.96 -1.17 -1.57 0.00 0.00 175.55 173.72 3gov s LEU 662 N -0.22 4.11 -0.21 -1.29 2.96 -0.08 -1.57 118.68 122.38 3gov s LEU 662 Ca 0.03 1.27 0.04 0.00 -0.22 0.00 0.00 54.13 55.24 3gov s LEU 662 Cb -0.08 -3.41 -0.20 0.00 0.50 0.00 0.00 46.19 43.00 3gov s LEU 662 CO 0.00 -0.58 -0.02 0.52 -1.32 0.00 0.00 176.35 174.95 3gov n VAL 663 N 5.19 1.53 -3.79 1.68 0.31 1.00 -3.81 118.33 120.44 3gov n VAL 663 Ca 0.09 -0.65 -0.08 0.00 -0.01 0.00 0.00 64.34 63.70 3gov n VAL 663 Cb 0.47 -1.29 -0.02 0.00 -0.91 0.00 0.00 33.84 32.09 3gov n VAL 663 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3gov s GLY 664 N -6.09 -0.18 0.06 2.92 0.00 -0.96 -2.61 107.32 100.46 3gov s GLY 664 Ca -0.27 -0.16 0.06 0.00 0.00 0.00 0.00 44.72 44.35 3gov s GLY 664 CO 0.68 -0.05 -0.12 -0.51 0.00 0.00 0.00 173.10 173.11 3gov s THR 665 N -3.87 3.25 0.09 0.90 -4.23 -1.04 -0.08 115.64 110.67 3gov s THR 665 Ca 0.09 -1.11 -0.31 0.00 -1.18 0.00 0.00 61.69 59.19 3gov s THR 665 Cb -0.05 -2.44 -0.09 0.00 1.34 0.00 0.00 72.50 71.26 3gov s THR 665 CO 0.04 0.26 1.71 -0.69 -0.54 0.00 0.00 174.62 175.39 3gov s VAL 666 N -1.06 2.86 0.03 2.29 1.01 -0.48 -0.39 120.40 124.65 3gov s VAL 666 Ca 0.18 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.49 3gov s VAL 666 Cb -0.11 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 3gov s VAL 666 CO 0.09 0.00 -0.02 -0.24 0.00 0.00 0.00 175.10 174.93 3gov n SER 667 N 5.55 0.50 -3.51 3.32 2.88 -1.02 -0.98 113.62 120.36 3gov n SER 667 Ca 0.16 0.07 -0.11 0.00 -1.33 0.00 0.00 58.87 57.66 3gov n SER 667 Cb 0.40 -0.20 -0.03 0.00 -0.75 0.00 0.00 64.21 63.63 3gov n SER 667 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3gov s TRP 668 N -1.45 -0.42 -0.28 0.66 1.48 -0.42 -4.94 118.94 113.58 3gov s TRP 668 Ca -0.01 0.16 -0.22 0.00 -1.06 0.00 0.00 56.10 54.96 3gov s TRP 668 Cb 0.00 0.48 0.11 0.00 -1.16 0.00 0.00 33.47 32.90 3gov s TRP 668 CO 0.02 -0.83 0.91 0.20 -4.06 0.00 0.00 176.95 173.19 3gov s GLY 669 N -2.78 -0.28 0.00 3.67 0.00 -1.26 -0.28 107.32 106.40 3gov s GLY 669 Ca 0.02 2.58 0.00 0.00 0.00 0.00 0.00 44.72 47.32 3gov s GLY 669 CO -0.11 2.01 0.45 1.34 0.00 0.00 0.00 173.10 176.79 3gov n ASP 670 N 2.83 0.00 -4.65 1.64 2.03 -1.26 -4.64 116.55 112.51 3gov n ASP 670 Ca -0.15 0.45 -0.32 0.00 0.52 0.00 0.00 54.79 55.29 3gov n ASP 670 Cb 0.56 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.87 3gov n ASP 670 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 3gov s ASP 671 N -2.25 4.93 -0.03 1.67 1.11 -1.26 -5.09 116.67 115.75 3gov s ASP 671 Ca 0.00 -0.06 -0.30 0.00 0.18 0.00 0.00 52.55 52.37 3gov s ASP 671 Cb 0.00 -1.24 -0.04 0.00 1.07 0.00 0.00 42.92 42.71 3gov s ASP 671 CO 0.00 0.28 1.31 0.00 1.18 0.00 0.00 175.17 177.94 3gov n GLY 673 N 3.53 -1.12 3.17 0.00 0.00 -1.26 -5.00 105.19 104.51 3gov n GLY 673 Ca 0.12 0.39 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 3gov n GLY 673 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gov s LYS 674 N -3.00 0.33 1.07 1.61 1.02 -1.26 -4.44 119.74 115.06 3gov s LYS 674 Ca 0.00 0.44 -0.12 0.00 0.02 0.00 0.00 55.97 56.31 3gov s LYS 674 Cb -0.00 0.12 0.23 0.00 -0.52 0.00 0.00 37.83 37.66 3gov s LYS 674 CO 0.65 -0.06 1.06 -1.59 -0.92 0.00 0.00 175.35 174.50 3gov s LYS 675 N 0.35 -0.15 -1.56 1.68 0.00 -1.25 -3.89 119.74 114.92 3gov s LYS 675 Ca -0.02 0.95 -0.13 0.00 0.00 0.00 0.00 55.97 56.77 3gov s LYS 675 Cb -0.03 -1.64 0.09 0.00 0.00 0.00 0.00 37.83 36.26 3gov s LYS 675 CO -0.01 -3.24 0.88 -0.25 0.00 0.00 0.00 175.35 172.72 3gov n ASP 676 N -4.59 -3.85 -3.64 0.03 8.00 0.29 -4.93 116.55 107.87 3gov n ASP 676 Ca 0.05 -0.86 -0.04 0.00 0.71 0.00 0.00 54.79 54.65 3gov n ASP 676 Cb 0.54 -3.53 -0.07 0.00 -0.02 0.00 0.00 41.12 38.04 3gov n ASP 676 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3gov s ARG 677 N -6.66 0.53 0.14 -1.24 3.00 -1.25 -4.91 118.95 108.56 3gov s ARG 677 Ca 0.60 0.94 0.09 0.00 -1.00 0.00 0.00 55.73 56.36 3gov s ARG 677 Cb -0.31 0.13 -0.04 0.00 0.00 0.00 0.00 34.95 34.73 3gov s ARG 677 CO 0.86 -0.11 -0.18 0.71 0.00 0.00 0.00 175.30 176.57 3gov s TYR 678 N 1.53 2.50 0.21 5.12 1.51 -1.26 -4.82 117.35 122.14 3gov s TYR 678 Ca -0.09 -0.28 -0.30 0.00 -1.01 0.00 0.00 57.07 55.39 3gov s TYR 678 Cb -0.04 -1.30 -0.08 0.00 -0.11 0.00 0.00 41.96 40.42 3gov s TYR 678 CO -0.17 0.42 1.08 0.20 -1.11 0.00 0.00 175.55 175.96 3gov s GLY 679 N -2.31 2.94 -0.16 0.71 0.00 -0.10 -4.76 107.32 103.65 3gov s GLY 679 Ca 0.19 0.80 -0.02 0.00 0.00 0.00 0.00 44.72 45.69 3gov s GLY 679 CO 0.10 1.55 -0.09 0.14 0.00 0.00 0.00 173.10 174.81 3gov s VAL 680 N -0.58 3.32 0.11 1.40 1.01 0.62 -1.27 120.40 125.01 3gov s VAL 680 Ca 0.47 -0.55 0.10 0.00 0.00 0.00 0.00 61.98 62.00 3gov s VAL 680 Cb -0.29 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3gov s VAL 680 CO 0.36 0.49 -0.25 -0.31 0.00 0.00 0.00 175.10 175.39 3gov s TYR 681 N 0.65 2.18 -0.09 5.22 1.51 0.13 -1.30 117.35 125.66 3gov s TYR 681 Ca -0.05 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.32 3gov s TYR 681 Cb -0.15 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 3gov s TYR 681 CO 0.02 0.28 1.40 0.45 -1.11 0.00 0.00 175.55 176.59 3gov s SER 682 N -1.89 6.85 -0.45 2.29 0.15 0.48 -0.01 113.70 121.11 3gov s SER 682 Ca 0.12 1.95 -0.29 0.00 0.70 0.00 0.00 55.95 58.43 3gov s SER 682 Cb -0.10 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.69 3gov s SER 682 CO 0.05 -0.79 1.31 -0.47 1.20 0.00 0.00 173.24 174.54 3gov s TYR 683 N 3.33 2.55 0.15 3.44 5.04 0.84 -2.49 117.35 130.21 3gov s TYR 683 Ca 0.62 0.67 0.05 0.00 -2.44 0.00 0.00 57.07 55.97 3gov s TYR 683 Cb -0.27 -4.38 -0.08 0.00 0.35 0.00 0.00 41.96 37.58 3gov s TYR 683 CO 0.22 -1.71 1.34 0.82 -1.34 0.00 0.00 175.55 174.88 3gov h ILE 684 N 6.37 1.60 -0.63 3.14 2.04 -1.80 -2.98 117.51 125.25 3gov h ILE 684 Ca -0.26 -2.98 0.05 0.00 1.00 0.00 0.00 64.86 62.67 3gov h ILE 684 Cb 1.09 2.66 -0.04 0.00 -0.74 0.00 0.00 36.82 39.78 3gov h ILE 684 CO 1.11 0.86 0.42 -0.74 0.00 0.00 0.00 178.15 179.80 3gov h HIS 685 N 0.03 0.67 -0.70 1.37 2.76 -1.88 0.11 115.15 117.51 3gov h HIS 685 Ca -0.03 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 3gov h HIS 685 Cb 1.62 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 30.33 3gov h HIS 685 CO 0.01 0.37 0.38 1.25 -1.30 0.00 0.00 177.93 178.64 3gov h HIS 686 N 0.68 0.97 -0.58 5.26 -0.00 -1.90 -2.97 115.15 116.61 3gov h HIS 686 Ca 0.26 -0.03 -0.20 0.00 -0.00 0.00 0.00 60.37 60.40 3gov h HIS 686 Cb 0.19 -0.31 -0.12 0.00 -0.00 0.00 0.00 27.41 27.17 3gov h HIS 686 CO -0.00 0.69 0.18 0.09 -0.00 0.00 0.00 177.93 178.89 3gov n ASN 687 N -4.48 3.92 -0.30 3.26 3.02 -0.91 -4.66 115.26 115.11 3gov n ASN 687 Ca 0.06 -3.37 0.01 0.00 -0.03 0.00 0.00 54.58 51.24 3gov n ASN 687 Cb 0.10 -0.69 0.14 0.00 -0.61 0.00 0.00 39.78 38.71 3gov n ASN 687 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3gov h LYS 688 N 1.86 0.91 -0.27 3.52 3.64 -0.82 -1.73 116.57 123.68 3gov h LYS 688 Ca 0.25 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3gov h LYS 688 Cb 2.06 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 33.66 3gov h LYS 688 CO 0.60 0.60 0.18 -0.44 -2.27 0.00 0.00 179.45 178.12 3gov h ASP 689 N 0.94 0.31 -0.69 4.20 3.32 -1.83 0.00 116.42 122.68 3gov h ASP 689 Ca 0.37 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.34 3gov h ASP 689 Cb 0.17 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 3gov h ASP 689 CO -0.17 0.24 0.21 -0.25 -1.72 0.00 0.00 179.24 177.54 3gov h TRP 690 N 0.36 1.11 -0.74 4.55 7.01 -1.84 0.68 115.95 127.09 3gov h TRP 690 Ca 0.10 -0.11 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 3gov h TRP 690 Cb -0.03 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 26.67 3gov h TRP 690 CO -0.06 0.89 0.31 0.82 -2.79 0.00 0.00 178.44 177.62 3gov h ILE 691 N 1.01 1.25 -0.23 2.65 2.04 -1.07 -1.81 117.51 121.36 3gov h ILE 691 Ca 0.22 -0.77 -0.13 0.00 1.00 0.00 0.00 64.86 65.18 3gov h ILE 691 Cb 0.30 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3gov h ILE 691 CO -0.01 0.31 -0.41 1.56 0.00 0.00 0.00 178.15 179.60 3gov h GLN 692 N 1.06 0.54 -0.50 2.37 4.20 -0.63 -0.89 115.11 121.25 3gov h GLN 692 Ca 0.25 -0.27 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 3gov h GLN 692 Cb 0.19 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3gov h GLN 692 CO -0.02 0.86 -0.17 0.00 -0.67 0.00 0.00 178.83 178.83 3gov h ARG 693 N 0.44 1.00 0.08 1.46 3.08 -0.62 0.14 114.38 119.96 3gov h ARG 693 Ca 0.04 -0.40 -0.25 0.00 0.07 0.00 0.00 59.98 59.43 3gov h ARG 693 Cb 0.91 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.94 3gov h ARG 693 CO 0.08 1.08 -1.03 0.28 -1.07 0.00 0.00 179.97 179.31 3gov h VAL 694 N 0.86 1.34 0.10 2.04 2.07 -1.31 -3.39 116.25 117.96 3gov h VAL 694 Ca 0.12 -2.36 -0.33 0.00 0.82 0.00 0.00 66.70 64.96 3gov h VAL 694 Cb 0.74 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 33.19 3gov h VAL 694 CO 0.06 0.71 -1.75 0.74 0.02 0.00 0.00 177.57 177.35 3gov h THR 695 N 0.13 0.76 -1.96 2.57 2.02 -1.20 -3.49 112.91 111.75 3gov h THR 695 Ca -0.15 -2.33 -0.18 0.00 0.77 0.00 0.00 66.41 64.52 3gov h THR 695 Cb 1.73 2.49 0.02 0.00 -1.74 0.00 0.00 68.15 70.65 3gov h THR 695 CO 0.20 0.75 -0.26 0.61 0.37 0.00 0.00 175.52 177.19 3gov n GLY 696 N 1.83 0.10 3.85 2.16 0.00 0.49 -5.04 105.19 108.58 3gov n GLY 696 Ca -0.31 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 3gov n GLY 696 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gov s VAL 697 N -2.70 4.86 -0.00 1.61 1.01 -1.26 -5.09 120.40 118.82 3gov s VAL 697 Ca 0.09 0.78 -0.02 0.00 0.00 0.00 0.00 61.98 62.83 3gov s VAL 697 Cb -0.04 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 3gov s VAL 697 CO 0.11 0.17 0.04 0.00 0.00 0.00 0.00 175.10 175.42 3gov s ARG 698 N -2.15 0.22 0.00 2.72 3.03 -1.26 -4.82 118.95 116.68 3gov s ARG 698 Ca 0.40 -0.24 0.20 0.00 2.03 0.00 0.00 55.73 58.12 3gov s ARG 698 Cb -0.14 0.08 1.19 0.00 -1.03 0.00 0.00 34.95 35.05 3gov s ARG 698 CO 0.19 -0.04 1.58 0.09 -1.13 0.00 0.00 175.30 175.99