#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khc n ALA 481 N 0.00 2.05 -2.86 0.00 0.00 -1.26 -5.05 120.51 113.39 2khc n ALA 481 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 2khc n ALA 481 Cb 0.00 0.49 0.03 0.00 0.00 0.00 0.00 19.45 19.97 2khc n ALA 481 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2khc n GLY 482 N 3.44 0.16 3.52 0.00 0.00 -1.26 -5.00 105.19 106.06 2khc n GLY 482 Ca -0.01 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 2khc n GLY 482 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2khc s LEU 483 N -3.86 4.53 0.26 0.99 1.43 -1.26 -5.06 118.68 115.71 2khc s LEU 483 Ca 0.23 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 2khc s LEU 483 Cb -0.10 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 2khc s LEU 483 CO 0.28 -0.65 0.41 -2.16 0.23 0.00 0.00 176.35 174.46 2khc s PRO 484 N 2.55 3.46 -0.29 1.29 0.04 -1.26 -5.09 135.00 135.69 2khc s PRO 484 Ca 0.19 -0.61 -0.09 0.00 0.04 0.00 0.00 61.00 60.53 2khc s PRO 484 Cb -0.15 -2.83 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 2khc s PRO 484 CO 0.16 0.36 0.13 -0.65 0.04 0.00 0.00 177.00 177.05 2khc s GLN 485 N -3.97 3.47 0.06 4.56 -0.21 -1.26 -5.08 119.66 117.23 2khc s GLN 485 Ca 0.36 -0.62 -0.21 0.00 0.02 0.00 0.00 55.36 54.91 2khc s GLN 485 Cb -0.09 -3.51 -0.06 0.00 1.00 0.00 0.00 33.01 30.34 2khc s GLN 485 CO 0.31 -0.34 0.62 0.12 -2.12 0.00 0.00 175.29 173.88 2khc s PHE 486 N 1.63 3.78 0.00 0.91 2.19 -1.26 -4.39 117.98 120.84 2khc s PHE 486 Ca 0.05 1.32 0.00 0.00 0.33 0.00 0.00 56.93 58.63 2khc s PHE 486 Cb -0.16 -2.59 0.00 0.00 -1.31 0.00 0.00 43.02 38.95 2khc s PHE 486 CO 0.06 0.49 0.00 0.41 1.83 0.00 0.00 175.22 178.01 2khc n GLY 487 N 1.95 1.92 3.36 13.12 0.00 -1.26 -5.11 105.19 119.18 2khc n GLY 487 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 2khc n GLY 487 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2khc s SER 488 N -2.00 4.46 -0.10 1.61 0.15 -1.26 -5.10 113.70 111.46 2khc s SER 488 Ca 0.00 -0.32 -0.02 0.00 0.70 0.00 0.00 55.95 56.30 2khc s SER 488 Cb 0.00 -1.76 -0.03 0.00 -1.71 0.00 0.00 66.02 62.52 2khc s SER 488 CO 0.00 0.02 -0.00 0.00 1.20 0.00 0.00 173.24 174.46 2khc s ALA 489 N 1.25 3.25 0.02 5.45 0.00 -1.26 -5.11 121.76 125.37 2khc s ALA 489 Ca 0.03 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 2khc s ALA 489 Cb -0.14 -1.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.41 2khc s ALA 489 CO -0.01 0.52 0.36 0.45 0.00 0.00 0.00 175.76 177.08 2khc s SER 490 N -0.65 6.67 0.36 0.00 0.15 -1.26 -5.08 113.70 113.88 2khc s SER 490 Ca 0.10 0.80 -0.25 0.00 0.70 0.00 0.00 55.95 57.31 2khc s SER 490 Cb -0.12 -2.19 -0.10 0.00 -1.71 0.00 0.00 66.02 61.91 2khc s SER 490 CO 0.02 0.26 0.97 0.00 1.20 0.00 0.00 173.24 175.69 2khc s ALA 491 N -1.23 3.16 -0.17 5.45 0.00 -1.26 -5.05 121.76 122.65 2khc s ALA 491 Ca 0.27 0.54 -0.02 0.00 0.00 0.00 0.00 51.96 52.75 2khc s ALA 491 Cb -0.15 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 2khc s ALA 491 CO 0.15 0.09 -0.07 -0.48 0.00 0.00 0.00 175.76 175.45 2khc s LEU 492 N -2.36 2.90 -0.30 0.00 2.34 -1.26 -5.09 118.68 114.91 2khc s LEU 492 Ca 0.54 -0.32 -0.12 0.00 0.06 0.00 0.00 54.13 54.29 2khc s LEU 492 Cb -0.18 -1.70 -0.04 0.00 -0.56 0.00 0.00 46.19 43.72 2khc s LEU 492 CO 0.23 0.09 0.21 -0.94 -1.06 0.00 0.00 176.35 174.88 2khc s SER 493 N 0.84 6.04 0.09 1.48 1.04 -1.26 -5.06 113.70 116.88 2khc s SER 493 Ca -0.02 -0.15 -0.31 0.00 0.48 0.00 0.00 55.95 55.94 2khc s SER 493 Cb -0.15 -2.13 -0.07 0.00 0.10 0.00 0.00 66.02 63.77 2khc s SER 493 CO 0.01 -0.12 1.40 0.42 0.98 0.00 0.00 173.24 175.93 2khc s THR 494 N 1.76 3.39 0.13 2.02 -4.23 -1.26 -5.02 115.64 112.43 2khc s THR 494 Ca 0.07 0.96 0.08 0.00 -1.18 0.00 0.00 61.69 61.62 2khc s THR 494 Cb -0.16 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 2khc s THR 494 CO 0.11 0.06 -0.19 -0.44 -0.54 0.00 0.00 174.62 173.61 2khc s SER 495 N 1.32 2.56 -0.25 3.99 0.01 -1.26 -5.10 113.70 114.97 2khc s SER 495 Ca 0.65 -0.78 -0.29 0.00 1.31 0.00 0.00 55.95 56.84 2khc s SER 495 Cb -0.36 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 65.71 2khc s SER 495 CO 0.30 -0.00 1.62 -2.16 0.41 0.00 0.00 173.24 173.40 2khc s PRO 496 N -2.40 3.71 -0.13 12.44 0.04 -1.26 -4.87 135.00 142.53 2khc s PRO 496 Ca 0.11 1.56 0.06 0.00 0.04 0.00 0.00 61.00 62.78 2khc s PRO 496 Cb -0.08 -4.06 -0.23 0.00 0.04 0.00 0.00 34.50 30.17 2khc s PRO 496 CO 0.05 -1.40 0.33 1.47 0.04 0.00 0.00 177.00 177.49 2khc n LEU 497 N 8.75 1.53 -3.65 -3.56 -0.00 -1.26 -4.99 117.00 113.82 2khc n LEU 497 Ca 0.19 0.19 -0.15 0.00 -0.00 0.00 0.00 56.01 56.24 2khc n LEU 497 Cb 0.46 -0.30 -0.08 0.00 -0.00 0.00 0.00 43.42 43.50 2khc n LEU 497 CO 0.66 0.63 0.24 0.00 -0.00 0.00 0.00 177.39 178.91 2khc s ALA 498 N -2.55 -1.31 -0.15 1.47 0.00 -1.26 -5.16 121.76 112.79 2khc s ALA 498 Ca -0.15 1.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.79 2khc s ALA 498 Cb 0.07 -0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.04 2khc s ALA 498 CO 0.78 -0.30 0.30 -1.12 0.00 0.00 0.00 175.76 175.42 2khc s SER 499 N -0.83 0.23 -0.03 0.00 0.01 -1.26 -5.15 113.70 106.67 2khc s SER 499 Ca -0.09 0.66 0.03 0.00 1.31 0.00 0.00 55.95 57.87 2khc s SER 499 Cb -0.03 0.86 -0.00 0.00 0.21 0.00 0.00 66.02 67.06 2khc s SER 499 CO 0.05 -0.24 -0.12 0.54 0.41 0.00 0.00 173.24 173.88 2khc s VAL 500 N 2.47 1.02 0.29 3.43 0.11 -1.26 -5.15 120.40 121.32 2khc s VAL 500 Ca 0.01 -0.51 -0.04 0.00 -2.93 0.00 0.00 61.98 58.51 2khc s VAL 500 Cb -0.12 -0.89 -0.05 0.00 -1.53 0.00 0.00 36.38 33.79 2khc s VAL 500 CO -0.10 0.30 0.55 0.00 -3.33 0.00 0.00 175.10 172.53 2khc s ALA 501 N 0.03 3.63 -0.18 1.54 0.00 -1.26 -5.06 121.76 120.46 2khc s ALA 501 Ca -0.01 -0.59 -0.22 0.00 0.00 0.00 0.00 51.96 51.14 2khc s ALA 501 Cb -0.09 -2.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 2khc s ALA 501 CO 0.01 0.23 0.69 -0.51 0.00 0.00 0.00 175.76 176.18 2khc s LEU 502 N -3.60 4.16 -0.44 0.00 2.01 -1.26 -4.97 118.68 114.59 2khc s LEU 502 Ca 0.44 0.96 0.07 0.00 0.01 0.00 0.00 54.13 55.60 2khc s LEU 502 Cb -0.11 -3.00 0.28 0.00 0.01 0.00 0.00 46.19 43.37 2khc s LEU 502 CO 0.30 -0.30 0.83 -0.24 1.01 0.00 0.00 176.35 177.95 2khc n SER 503 N 5.02 -1.47 -4.82 2.29 2.88 -1.26 -5.14 113.62 111.13 2khc n SER 503 Ca 0.00 -3.20 -0.22 0.00 -1.33 0.00 0.00 58.87 54.12 2khc n SER 503 Cb 0.49 0.89 -0.04 0.00 -0.75 0.00 0.00 64.21 64.80 2khc n SER 503 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2khc s ALA 504 N -0.32 3.65 0.13 -1.46 0.00 -1.26 -5.09 121.76 117.41 2khc s ALA 504 Ca 0.32 -1.57 -0.30 0.00 0.00 0.00 0.00 51.96 50.41 2khc s ALA 504 Cb 0.25 -1.16 -0.07 0.00 0.00 0.00 0.00 23.12 22.13 2khc s ALA 504 CO -0.14 0.13 1.24 0.00 0.00 0.00 0.00 175.76 176.99 2khc s ALA 505 N -2.24 3.46 -0.18 0.00 0.00 -1.26 -5.02 121.76 116.51 2khc s ALA 505 Ca 0.36 0.96 0.01 0.00 0.00 0.00 0.00 51.96 53.29 2khc s ALA 505 Cb -0.06 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.62 2khc s ALA 505 CO 0.25 -0.45 -0.18 0.00 0.00 0.00 0.00 175.76 175.38 2khc s ALA 506 N 0.59 2.38 0.54 0.00 0.00 -1.26 -5.12 121.76 118.89 2khc s ALA 506 Ca 0.57 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 2khc s ALA 506 Cb -0.33 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.59 2khc s ALA 506 CO 0.33 -0.31 0.81 0.00 0.00 0.00 0.00 175.76 176.59 2khc s ALA 507 N 1.23 3.55 0.84 0.00 0.00 -1.26 -5.05 121.76 121.07 2khc s ALA 507 Ca 0.03 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 2khc s ALA 507 Cb -0.14 -2.35 0.01 0.00 0.00 0.00 0.00 23.12 20.65 2khc s ALA 507 CO -0.10 -0.68 0.57 0.00 0.00 0.00 0.00 175.76 175.55 2khc n ALA 508 N -2.39 -1.79 -3.78 0.00 0.00 -1.26 -5.02 120.51 106.27 2khc n ALA 508 Ca 0.04 -0.42 -0.07 0.00 0.00 0.00 0.00 53.44 53.00 2khc n ALA 508 Cb 0.58 -1.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 2khc n ALA 508 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2khc s ALA 509 N -2.15 -1.39 0.59 0.00 0.00 -1.26 -5.15 121.76 112.40 2khc s ALA 509 Ca 0.63 -0.08 -0.18 0.00 0.00 0.00 0.00 51.96 52.33 2khc s ALA 509 Cb -0.28 0.79 -0.08 0.00 0.00 0.00 0.00 23.12 23.54 2khc s ALA 509 CO 0.61 -1.00 0.48 0.00 0.00 0.00 0.00 175.76 175.85 2khc n ALA 510 N -0.45 -1.33 -0.32 0.00 0.00 -1.26 -4.78 120.51 112.37 2khc n ALA 510 Ca -0.06 -0.06 0.30 0.00 0.00 0.00 0.00 53.44 53.63 2khc n ALA 510 Cb 0.60 -1.80 0.56 0.00 0.00 0.00 0.00 19.45 18.81 2khc n ALA 510 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2khc h GLY 511 N 0.14 2.18 -6.65 0.00 0.00 0.33 -3.34 103.07 95.73 2khc h GLY 511 Ca -0.45 -0.13 -0.26 0.00 0.00 0.00 0.00 47.33 46.49 2khc h GLY 511 CO 0.46 -0.77 -0.57 0.54 0.00 0.00 0.00 176.54 176.20 2khc s LYS 512 N -5.57 0.22 -0.28 4.80 1.02 -1.20 -4.77 119.74 113.96 2khc s LYS 512 Ca -0.09 0.40 0.02 0.00 0.02 0.00 0.00 55.97 56.31 2khc s LYS 512 Cb 0.33 -0.79 0.08 0.00 -0.52 0.00 0.00 37.83 36.93 2khc s LYS 512 CO 0.78 -0.57 -0.02 -1.14 -0.92 0.00 0.00 175.35 173.48 2khc s GLN 513 N 2.40 1.57 0.48 1.68 2.00 -1.03 0.18 119.66 126.94 2khc s GLN 513 Ca 0.07 -1.29 0.02 0.00 -2.00 0.00 0.00 55.36 52.16 2khc s GLN 513 Cb -0.15 -2.72 -0.02 0.00 0.80 0.00 0.00 33.01 30.92 2khc s GLN 513 CO -0.12 -0.73 0.02 -1.50 -0.50 0.00 0.00 175.29 172.45 2khc s ILE 514 N 1.25 1.24 -0.42 -2.34 1.10 -0.22 -4.97 121.20 116.84 2khc s ILE 514 Ca -0.00 -2.00 -0.13 0.00 -0.51 0.00 0.00 60.65 58.01 2khc s ILE 514 Cb -0.19 -2.32 0.05 0.00 0.15 0.00 0.00 42.46 40.16 2khc s ILE 514 CO -0.09 0.00 0.29 -1.61 -2.11 0.00 0.00 174.94 171.42 2khc s GLU 515 N -3.84 2.84 0.25 3.50 0.41 -1.26 -4.73 118.70 115.87 2khc s GLU 515 Ca 0.12 -1.25 -0.04 0.00 -0.41 0.00 0.00 54.97 53.40 2khc s GLU 515 Cb 0.03 -3.91 -0.02 0.00 -1.78 0.00 0.00 34.13 28.45 2khc s GLU 515 CO 0.06 -0.87 0.30 0.20 -0.49 0.00 0.00 175.26 174.46 2khc s GLY 516 N 2.03 1.30 -0.00 -1.39 0.00 -1.26 -4.91 107.32 103.09 2khc s GLY 516 Ca 0.03 -1.49 -0.22 0.00 0.00 0.00 0.00 44.72 43.04 2khc s GLY 516 CO 0.06 -1.13 0.66 2.56 0.00 0.00 0.00 173.10 175.25 2khc s PRO 517 N -3.86 4.39 0.99 2.90 0.04 -1.26 -4.90 135.00 133.30 2khc s PRO 517 Ca 0.33 0.85 -0.12 0.00 0.04 0.00 0.00 61.00 62.10 2khc s PRO 517 Cb 0.03 -3.37 0.18 0.00 0.04 0.00 0.00 34.50 31.39 2khc s PRO 517 CO 0.14 0.29 1.10 -1.21 0.04 0.00 0.00 177.00 177.36 2khc s GLU 518 N 0.02 0.49 0.00 4.56 2.02 -1.26 -3.83 118.70 120.69 2khc s GLU 518 Ca 0.34 0.47 0.00 0.00 0.02 0.00 0.00 54.97 55.81 2khc s GLU 518 Cb -0.19 -1.75 0.00 0.00 0.10 0.00 0.00 34.13 32.30 2khc s GLU 518 CO 0.19 -2.68 0.00 0.41 0.02 0.00 0.00 175.26 173.20 2khc n GLY 519 N -1.24 0.42 1.06 -1.39 0.00 -1.26 -4.92 105.19 97.87 2khc n GLY 519 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 2khc n GLY 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khc s ASN 521 N -3.04 6.54 0.06 0.00 2.47 -0.66 -2.14 114.94 118.18 2khc s ASN 521 Ca 0.38 0.64 0.07 0.00 0.42 0.00 0.00 52.86 54.38 2khc s ASN 521 Cb 0.38 -2.18 -0.03 0.00 -1.45 0.00 0.00 41.25 37.96 2khc s ASN 521 CO -0.08 0.22 -0.20 -0.22 -3.72 0.00 0.00 177.10 173.10 2khc s LEU 522 N -0.26 2.20 -0.18 3.21 2.96 -0.66 -1.50 118.68 124.45 2khc s LEU 522 Ca 0.19 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 2khc s LEU 522 Cb -0.14 -0.93 0.03 0.00 0.50 0.00 0.00 46.19 45.66 2khc s LEU 522 CO 0.07 0.12 -0.14 0.12 -1.32 0.00 0.00 176.35 175.20 2khc s PHE 523 N -0.90 2.46 0.15 5.38 2.19 -0.88 -2.12 117.98 124.25 2khc s PHE 523 Ca 0.07 -1.50 0.11 0.00 0.33 0.00 0.00 56.93 55.93 2khc s PHE 523 Cb -0.09 -1.71 -0.04 0.00 -1.31 0.00 0.00 43.02 39.87 2khc s PHE 523 CO 0.02 -0.74 -0.25 0.96 1.83 0.00 0.00 175.22 177.04 2khc s ILE 524 N 1.39 2.23 -0.34 3.12 -0.00 -0.90 -2.14 121.20 124.56 2khc s ILE 524 Ca 0.02 -1.82 0.01 0.00 -0.00 0.00 0.00 60.65 58.87 2khc s ILE 524 Cb -0.14 -1.99 0.14 0.00 -0.00 0.00 0.00 42.46 40.47 2khc s ILE 524 CO -0.10 0.01 0.31 -0.72 -0.00 0.00 0.00 174.94 174.44 2khc s TYR 525 N -1.26 -0.16 0.00 1.37 1.13 -0.93 -1.55 117.35 115.96 2khc s TYR 525 Ca 0.15 -0.74 0.00 0.00 -1.41 0.00 0.00 57.07 55.07 2khc s TYR 525 Cb -0.09 -0.53 0.00 0.00 -1.10 0.00 0.00 41.96 40.23 2khc s TYR 525 CO 0.07 -0.92 0.00 1.58 -2.51 0.00 0.00 175.55 173.76 2khc n HIS 526 N 4.62 0.00 -1.75 -3.49 -0.00 -0.20 -3.91 115.22 110.49 2khc n HIS 526 Ca 0.06 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.91 2khc n HIS 526 Cb 0.44 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 30.35 2khc n HIS 526 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 2khc s LEU 527 N -3.65 3.34 0.76 0.27 -0.00 0.21 -3.40 118.68 116.21 2khc s LEU 527 Ca 0.00 1.89 -0.07 0.00 -0.00 0.00 0.00 54.13 55.95 2khc s LEU 527 Cb 0.00 -4.54 0.11 0.00 -0.00 0.00 0.00 46.19 41.76 2khc s LEU 527 CO 0.00 -1.55 1.07 -2.16 -0.00 0.00 0.00 176.35 173.71 2khc s PRO 528 N -4.29 1.73 0.63 1.48 0.04 -1.26 0.78 135.00 134.10 2khc s PRO 528 Ca 0.64 -0.55 0.25 0.00 0.04 0.00 0.00 61.00 61.39 2khc s PRO 528 Cb -0.18 -2.16 1.25 0.00 0.04 0.00 0.00 34.50 33.45 2khc s PRO 528 CO 0.44 -1.53 1.70 -0.56 0.04 0.00 0.00 177.00 177.09 2khc h GLN 529 N -0.78 0.00 -0.03 4.56 -0.00 -1.71 0.50 115.11 117.66 2khc h GLN 529 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 2khc h GLN 529 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 2khc h GLN 529 CO 0.50 0.00 0.00 -1.91 -0.00 0.00 0.00 178.83 177.42 2khc n GLU 530 N -3.19 1.27 -3.46 0.06 4.07 -1.26 -4.82 120.64 113.31 2khc n GLU 530 Ca 0.06 -0.39 -0.37 0.00 -0.06 0.00 0.00 57.16 56.39 2khc n GLU 530 Cb 0.73 -1.42 -0.07 0.00 -0.06 0.00 0.00 31.44 30.62 2khc n GLU 530 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 2khc s PHE 531 N -1.96 3.46 0.08 4.31 2.19 0.17 -5.08 117.98 121.15 2khc s PHE 531 Ca 0.37 0.66 0.01 0.00 0.33 0.00 0.00 56.93 58.30 2khc s PHE 531 Cb 0.18 -2.42 -0.04 0.00 -1.31 0.00 0.00 43.02 39.44 2khc s PHE 531 CO 0.30 0.18 0.19 -0.08 1.83 0.00 0.00 175.22 177.64 2khc s THR 532 N 0.65 5.17 0.44 0.12 -1.32 -1.26 -4.85 115.64 114.59 2khc s THR 532 Ca 0.19 -0.55 0.22 0.00 -1.21 0.00 0.00 61.69 60.33 2khc s THR 532 Cb -0.14 -3.55 0.25 0.00 -1.51 0.00 0.00 72.50 67.55 2khc s THR 532 CO 0.06 0.08 2.05 -2.24 -2.21 0.00 0.00 174.62 172.36 2khc h ASP 533 N 2.92 0.00 -0.38 8.08 3.04 -1.92 -2.33 116.42 125.84 2khc h ASP 533 Ca -0.46 0.00 0.11 0.00 -3.24 0.00 0.00 57.03 53.44 2khc h ASP 533 Cb 1.17 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.44 2khc h ASP 533 CO 0.72 0.14 0.28 0.74 -2.04 0.00 0.00 179.24 179.09 2khc h THR 534 N 0.00 0.77 -0.12 1.15 2.02 -1.89 -2.10 112.91 112.73 2khc h THR 534 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 2khc h THR 534 Cb 0.31 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2khc h THR 534 CO 0.02 0.00 -0.05 -0.78 0.37 0.00 0.00 175.52 175.08 2khc h ASP 535 N 0.00 0.25 -0.57 4.18 1.82 -1.83 -2.12 116.42 118.15 2khc h ASP 535 Ca 0.18 -0.40 -0.05 0.00 -0.39 0.00 0.00 57.03 56.37 2khc h ASP 535 Cb 0.74 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.66 2khc h ASP 535 CO -0.00 0.60 0.16 -0.07 -1.61 0.00 0.00 179.24 178.32 2khc h LEU 536 N -0.10 0.85 -0.15 2.28 4.07 -1.55 -2.52 115.31 118.18 2khc h LEU 536 Ca 0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 57.76 2khc h LEU 536 Cb 0.50 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 2khc h LEU 536 CO 0.02 0.84 0.07 0.00 -1.08 0.00 0.00 178.44 178.29 2khc h ALA 537 N 1.04 0.20 -0.08 1.53 0.00 -1.45 -1.98 119.26 118.52 2khc h ALA 537 Ca 0.18 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2khc h ALA 537 Cb 0.31 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2khc h ALA 537 CO -0.00 -0.25 -0.09 1.03 0.00 0.00 0.00 179.25 179.94 2khc h SER 538 N 0.12 -0.29 -0.30 0.00 0.87 -1.30 0.19 113.55 112.84 2khc h SER 538 Ca 0.05 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2khc h SER 538 Cb 0.11 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2khc h SER 538 CO -0.01 -0.13 0.09 0.74 -0.53 0.00 0.00 176.83 176.99 2khc h THR 539 N -0.13 1.17 0.00 2.23 2.02 -1.45 -2.48 112.91 114.27 2khc h THR 539 Ca 0.06 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2khc h THR 539 Cb 0.22 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2khc h THR 539 CO -0.16 0.22 0.00 0.33 0.37 0.00 0.00 175.52 176.28 2khc n PHE 540 N -4.34 0.00 -0.50 3.16 7.35 -0.75 -4.65 117.46 117.74 2khc n PHE 540 Ca 0.02 0.00 0.42 0.00 -0.76 0.00 0.00 57.45 57.13 2khc n PHE 540 Cb 0.19 -0.50 0.69 0.00 0.35 0.00 0.00 39.48 40.20 2khc n PHE 540 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2khc n LEU 541 N -1.50 0.17 -0.40 -2.13 0.00 -0.02 0.53 117.00 113.65 2khc n LEU 541 Ca 0.05 1.29 0.35 0.00 0.00 0.00 0.00 56.01 57.70 2khc n LEU 541 Cb 0.25 -0.64 0.62 0.00 0.00 0.00 0.00 43.42 43.65 2khc n LEU 541 CO 0.20 -1.39 1.16 -0.65 0.00 0.00 0.00 177.39 176.71 2khc h PRO 542 N 0.00 0.06 -3.94 1.96 0.11 -1.88 -2.95 132.00 125.36 2khc h PRO 542 Ca 0.87 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.98 2khc h PRO 542 Cb 2.94 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 34.03 2khc h PRO 542 CO -0.38 0.04 0.63 1.97 -0.21 0.00 0.00 178.00 180.05 2khc n PHE 543 N -4.94 0.00 0.00 0.65 1.16 0.19 -4.67 117.46 109.85 2khc n PHE 543 Ca 0.38 -0.31 0.00 0.00 -1.87 0.00 0.00 57.45 55.65 2khc n PHE 543 Cb 1.37 -0.47 0.00 0.00 -1.61 0.00 0.00 39.48 38.77 2khc n PHE 543 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2khc n GLY 544 N 3.42 0.00 3.52 4.97 0.00 -1.12 -4.31 105.19 111.67 2khc n GLY 544 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.45 2khc n GLY 544 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2khc n ASN 545 N 0.00 0.38 -4.15 1.61 3.02 -0.50 -4.82 115.26 110.80 2khc n ASN 545 Ca 0.00 1.15 -0.33 0.00 -0.03 0.00 0.00 54.58 55.37 2khc n ASN 545 Cb 0.00 -0.98 -0.15 0.00 -0.61 0.00 0.00 39.78 38.04 2khc n ASN 545 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2khc s VAL 546 N 0.14 2.39 -0.55 2.41 -7.23 0.74 -2.21 120.40 116.09 2khc s VAL 546 Ca 0.90 -1.05 0.04 0.00 -1.81 0.00 0.00 61.98 60.05 2khc s VAL 546 Cb -1.20 -2.14 0.14 0.00 0.56 0.00 0.00 36.38 33.74 2khc s VAL 546 CO 0.55 0.34 0.30 -0.63 -0.31 0.00 0.00 175.10 175.35 2khc s ILE 547 N 1.28 2.70 -0.15 -0.62 1.09 -0.79 -1.05 121.20 123.66 2khc s ILE 547 Ca 0.01 -3.45 -0.05 0.00 -1.10 0.00 0.00 60.65 56.06 2khc s ILE 547 Cb -0.15 -2.85 -0.04 0.00 -1.06 0.00 0.00 42.46 38.36 2khc s ILE 547 CO -0.09 -0.83 0.02 -0.94 -0.10 0.00 0.00 174.94 173.00 2khc s SER 548 N -0.41 5.34 0.19 3.58 1.04 0.48 -1.73 113.70 122.18 2khc s SER 548 Ca 0.18 0.05 0.06 0.00 0.48 0.00 0.00 55.95 56.72 2khc s SER 548 Cb -0.23 -1.80 -0.05 0.00 0.10 0.00 0.00 66.02 64.04 2khc s SER 548 CO -0.02 0.23 -0.11 0.00 0.98 0.00 0.00 173.24 174.32 2khc s ALA 549 N 0.00 1.76 0.04 5.32 0.00 -0.81 0.26 121.76 128.34 2khc s ALA 549 Ca 0.04 -1.61 0.02 0.00 0.00 0.00 0.00 51.96 50.41 2khc s ALA 549 Cb -0.13 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2khc s ALA 549 CO 0.02 -0.05 -0.08 -1.59 0.00 0.00 0.00 175.76 174.06 2khc s LYS 550 N -3.72 0.53 -0.26 0.00 -2.85 -1.26 -2.02 119.74 110.16 2khc s LYS 550 Ca 0.21 -0.74 0.00 0.00 -1.00 0.00 0.00 55.97 54.44 2khc s LYS 550 Cb 0.02 -0.32 0.08 0.00 -2.06 0.00 0.00 37.83 35.54 2khc s LYS 550 CO 0.04 0.06 0.01 0.54 0.10 0.00 0.00 175.35 176.11 2khc s VAL 551 N -1.31 1.28 -0.02 1.79 0.11 -0.73 -4.89 120.40 116.63 2khc s VAL 551 Ca -0.09 -1.29 -0.01 0.00 -2.93 0.00 0.00 61.98 57.66 2khc s VAL 551 Cb -0.10 -1.74 -0.04 0.00 -1.53 0.00 0.00 36.38 32.98 2khc s VAL 551 CO 0.00 -0.33 0.09 0.72 -3.33 0.00 0.00 175.10 172.26 2khc s PHE 552 N 1.47 3.32 0.30 1.54 -0.12 -1.26 -2.12 117.98 121.12 2khc s PHE 552 Ca 0.01 0.24 0.04 0.00 -0.05 0.00 0.00 56.93 57.17 2khc s PHE 552 Cb -0.18 -1.76 -0.06 0.00 -0.63 0.00 0.00 43.02 40.39 2khc s PHE 552 CO -0.12 0.57 0.02 0.42 -0.05 0.00 0.00 175.22 176.06 2khc s ILE 553 N -1.18 1.29 -0.08 -4.49 1.01 -1.26 -4.94 121.20 111.55 2khc s ILE 553 Ca 0.22 -2.03 0.00 0.00 0.00 0.00 0.00 60.65 58.84 2khc s ILE 553 Cb -0.12 -2.65 0.02 0.00 0.01 0.00 0.00 42.46 39.72 2khc s ILE 553 CO 0.13 -0.12 -0.07 1.51 0.00 0.00 0.00 174.94 176.39 2khc s ASP 554 N -3.46 1.77 0.05 3.58 1.47 -1.26 -0.89 116.67 117.93 2khc s ASP 554 Ca 0.34 -0.24 -0.15 0.00 1.18 0.00 0.00 52.55 53.68 2khc s ASP 554 Cb 0.07 -0.71 -0.06 0.00 -0.34 0.00 0.00 42.92 41.89 2khc s ASP 554 CO 0.14 -0.08 1.24 0.07 0.68 0.00 0.00 175.17 177.22 2khc h LYS 555 N 7.71 -0.24 0.00 2.11 2.10 -1.85 -3.40 116.57 123.01 2khc h LYS 555 Ca -0.30 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2khc h LYS 555 Cb 1.15 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2khc h LYS 555 CO 0.41 -0.16 -0.14 0.00 -2.00 0.00 0.00 179.45 177.56 2khc n GLN 556 N -3.81 0.08 0.00 0.07 10.64 -1.26 -4.94 117.38 118.15 2khc n GLN 556 Ca -0.03 0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2khc n GLN 556 Cb 0.16 -0.63 0.00 0.00 -0.86 0.00 0.00 30.24 28.91 2khc n GLN 556 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 2khc n THR 557 N -2.78 0.00 -0.06 -0.39 -1.04 -1.26 -5.00 114.28 103.74 2khc n THR 557 Ca -0.02 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.93 2khc n THR 557 Cb 0.07 -0.41 -0.02 0.00 -1.82 0.00 0.00 70.33 68.16 2khc n THR 557 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2khc n SER 558 N -1.15 1.44 -3.66 8.00 2.88 -1.26 -4.83 113.62 115.04 2khc n SER 558 Ca 0.00 0.36 -0.07 0.00 -1.33 0.00 0.00 58.87 57.83 2khc n SER 558 Cb 0.21 -0.72 -0.08 0.00 -0.75 0.00 0.00 64.21 62.86 2khc n SER 558 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 2khc s LEU 559 N -7.26 -0.77 0.00 2.46 2.34 -1.26 -4.48 118.68 109.71 2khc s LEU 559 Ca -0.18 1.13 0.02 0.00 0.06 0.00 0.00 54.13 55.16 2khc s LEU 559 Cb 0.02 1.58 0.02 0.00 -0.56 0.00 0.00 46.19 47.26 2khc s LEU 559 CO 0.27 -0.23 0.17 -1.54 -1.06 0.00 0.00 176.35 173.96 2khc n SER 560 N 5.40 3.01 -3.37 1.48 3.41 -0.07 -3.42 113.62 120.05 2khc n SER 560 Ca -0.09 -2.93 -0.29 0.00 -0.26 0.00 0.00 58.87 55.29 2khc n SER 560 Cb 0.49 0.16 0.28 0.00 -0.26 0.00 0.00 64.21 64.89 2khc n SER 560 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2khc n LYS 561 N -1.41 -4.48 -3.91 4.33 2.85 -1.26 -3.27 118.16 111.00 2khc n LYS 561 Ca -0.12 -1.33 -0.02 0.00 -1.05 0.00 0.00 58.31 55.79 2khc n LYS 561 Cb 0.59 -1.90 0.02 0.00 -0.65 0.00 0.00 35.03 33.09 2khc n LYS 561 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2khc s PHE 563 N -2.06 0.96 0.21 0.00 -0.12 -0.90 0.67 117.98 116.73 2khc s PHE 563 Ca 0.24 -0.76 0.11 0.00 -0.05 0.00 0.00 56.93 56.46 2khc s PHE 563 Cb -0.03 -0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 41.78 2khc s PHE 563 CO 0.05 -0.07 -0.21 0.20 -0.05 0.00 0.00 175.22 175.14 2khc s GLY 564 N -2.69 1.66 -0.18 1.99 0.00 -0.59 -1.77 107.32 105.74 2khc s GLY 564 Ca 0.08 -1.67 -0.01 0.00 0.00 0.00 0.00 44.72 43.12 2khc s GLY 564 CO -0.02 -1.72 -0.12 -1.36 0.00 0.00 0.00 173.10 169.88 2khc s PHE 565 N -2.07 2.85 -0.20 1.90 0.40 -0.86 -2.11 117.98 117.89 2khc s PHE 565 Ca 0.22 -1.03 0.00 0.00 -0.60 0.00 0.00 56.93 55.52 2khc s PHE 565 Cb -0.06 -1.96 0.05 0.00 0.51 0.00 0.00 43.02 41.55 2khc s PHE 565 CO 0.10 -0.51 -0.07 0.08 0.70 0.00 0.00 175.22 175.52 2khc s VAL 566 N 1.05 1.45 -0.40 -0.44 1.01 -0.90 -1.93 120.40 120.23 2khc s VAL 566 Ca -0.01 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 2khc s VAL 566 Cb -0.15 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.63 2khc s VAL 566 CO -0.02 0.06 0.30 -0.55 0.00 0.00 0.00 175.10 174.89 2khc s SER 567 N 1.46 6.11 -0.21 3.32 0.15 -0.71 -1.66 113.70 122.17 2khc s SER 567 Ca -0.02 -0.85 -0.08 0.00 0.70 0.00 0.00 55.95 55.70 2khc s SER 567 Cb -0.17 -2.16 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 2khc s SER 567 CO -0.07 -0.44 0.10 -0.36 1.20 0.00 0.00 173.24 173.66 2khc s PHE 568 N 1.71 3.27 -0.52 3.44 0.08 -0.91 -1.88 117.98 123.17 2khc s PHE 568 Ca 0.06 0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.23 2khc s PHE 568 Cb -0.19 -2.15 0.14 0.00 -0.57 0.00 0.00 43.02 40.25 2khc s PHE 568 CO 0.10 0.09 0.29 -0.51 -0.10 0.00 0.00 175.22 175.09 2khc s ASP 569 N 0.68 4.14 0.12 1.36 1.11 -0.94 -1.86 116.67 121.29 2khc s ASP 569 Ca 0.05 -3.03 -0.21 0.00 0.18 0.00 0.00 52.55 49.54 2khc s ASP 569 Cb -0.13 -1.45 0.06 0.00 1.07 0.00 0.00 42.92 42.46 2khc s ASP 569 CO 0.01 -0.22 0.54 0.21 1.18 0.00 0.00 175.17 176.89 2khc s ASN 570 N -0.28 -0.46 0.74 0.27 3.84 -1.25 -1.41 114.94 116.40 2khc s ASN 570 Ca 0.19 -0.03 -0.09 0.00 0.21 0.00 0.00 52.86 53.14 2khc s ASN 570 Cb -0.22 0.54 0.01 0.00 -0.55 0.00 0.00 41.25 41.04 2khc s ASN 570 CO -0.03 -0.88 -0.20 -2.65 -2.79 0.00 0.00 177.10 170.56 2khc n PRO 571 N -0.15 -0.66 0.13 0.43 -0.02 -1.26 -4.25 135.00 129.21 2khc n PRO 571 Ca -0.17 -0.19 0.19 0.00 -2.02 0.00 0.00 63.50 61.30 2khc n PRO 571 Cb 0.64 -1.15 0.65 0.00 -0.02 0.00 0.00 33.50 33.62 2khc n PRO 571 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2khc h ASP 572 N -2.01 0.00 -1.00 2.55 3.58 -2.00 0.20 116.42 117.74 2khc h ASP 572 Ca -0.15 0.00 0.17 0.00 0.42 0.00 0.00 57.03 57.47 2khc h ASP 572 Cb 0.50 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.45 2khc h ASP 572 CO 0.09 0.00 0.62 0.77 -2.88 0.00 0.00 179.24 177.84 2khc h SER 573 N 0.00 0.83 -0.21 2.28 4.64 -1.95 0.27 113.55 119.40 2khc h SER 573 Ca 0.18 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.55 2khc h SER 573 Cb 1.36 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 2khc h SER 573 CO -0.00 0.35 0.03 0.00 -0.87 0.00 0.00 176.83 176.34 2khc h ALA 574 N 1.61 0.29 -0.99 5.18 0.00 -0.78 -1.95 119.26 122.62 2khc h ALA 574 Ca 0.55 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.46 2khc h ALA 574 Cb 0.77 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 2khc h ALA 574 CO -0.34 -0.03 0.61 1.96 0.00 0.00 0.00 179.25 181.46 2khc h GLN 575 N 0.15 0.70 -0.84 0.00 4.20 -0.84 0.40 115.11 118.87 2khc h GLN 575 Ca 0.06 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2khc h GLN 575 Cb 0.33 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 2khc h GLN 575 CO 0.01 0.46 0.44 -0.24 -0.67 0.00 0.00 178.83 178.83 2khc h VAL 576 N 0.72 1.25 -0.13 -0.54 3.04 0.11 -1.62 116.25 119.08 2khc h VAL 576 Ca 0.55 -0.65 -0.03 0.00 -1.01 0.00 0.00 66.70 65.56 2khc h VAL 576 Cb 0.92 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.32 2khc h VAL 576 CO -0.33 0.29 -0.07 0.00 -1.01 0.00 0.00 177.57 176.44 2khc h ALA 577 N 1.30 1.63 0.10 3.17 0.00 0.42 -2.12 119.26 123.77 2khc h ALA 577 Ca 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2khc h ALA 577 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2khc h ALA 577 CO -0.04 0.27 -0.05 0.82 0.00 0.00 0.00 179.25 180.25 2khc h ILE 578 N 0.19 0.97 -0.17 0.00 2.04 -0.71 -2.89 117.51 116.94 2khc h ILE 578 Ca 0.04 -1.36 -0.19 0.00 1.00 0.00 0.00 64.86 64.35 2khc h ILE 578 Cb 0.26 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 2khc h ILE 578 CO 0.01 0.28 -0.67 0.11 0.00 0.00 0.00 178.15 177.88 2khc h LYS 579 N -0.88 0.66 0.00 2.37 6.56 -1.44 -3.17 116.57 120.67 2khc h LYS 579 Ca -0.01 -0.49 0.00 0.00 -1.06 0.00 0.00 60.65 59.09 2khc h LYS 579 Cb 0.56 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.30 2khc h LYS 579 CO 0.02 1.11 0.00 0.00 -2.06 0.00 0.00 179.45 178.52 2khc h ALA 580 N 0.77 1.00 -3.96 3.86 0.00 -1.55 -3.46 119.26 115.92 2khc h ALA 580 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.50 2khc h ALA 580 Cb 1.26 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.78 2khc h ALA 580 CO 0.13 0.00 -0.78 1.41 0.00 0.00 0.00 179.25 180.01 2khc s MET 581 N -3.41 0.74 0.46 0.00 -2.45 -1.09 -5.06 119.30 108.50 2khc s MET 581 Ca 0.05 -0.39 -0.04 0.00 -1.25 0.00 0.00 55.69 54.05 2khc s MET 581 Cb 0.08 -0.71 -0.04 0.00 1.25 0.00 0.00 34.83 35.41 2khc s MET 581 CO 0.59 0.19 0.75 -0.80 1.05 0.00 0.00 175.02 176.80 2khc s ASN 582 N -0.37 6.27 0.00 1.11 -0.87 -1.26 -4.68 114.94 115.13 2khc s ASN 582 Ca 0.03 0.86 0.00 0.00 -1.57 0.00 0.00 52.86 52.17 2khc s ASN 582 Cb -0.04 -2.22 0.00 0.00 -0.02 0.00 0.00 41.25 38.97 2khc s ASN 582 CO -0.00 -0.53 0.46 0.61 -2.57 0.00 0.00 177.10 175.07 2khc n GLY 583 N -2.18 -1.32 2.92 0.66 0.00 -1.26 -4.97 105.19 99.04 2khc n GLY 583 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2khc n GLY 583 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2khc s PHE 584 N -0.00 2.26 -0.41 1.61 5.36 -1.26 -4.82 117.98 120.72 2khc s PHE 584 Ca 0.00 -1.65 -0.14 0.00 -0.96 0.00 0.00 56.93 54.18 2khc s PHE 584 Cb 0.00 -1.53 0.03 0.00 -0.34 0.00 0.00 43.02 41.18 2khc s PHE 584 CO 0.00 -0.75 0.28 -0.65 -1.46 0.00 0.00 175.22 172.64 2khc s GLN 585 N 1.44 2.91 0.16 10.12 -0.21 -1.25 -2.31 119.66 130.51 2khc s GLN 585 Ca -0.05 -1.09 0.07 0.00 0.02 0.00 0.00 55.36 54.31 2khc s GLN 585 Cb -0.18 -3.91 -0.04 0.00 1.00 0.00 0.00 33.01 29.87 2khc s GLN 585 CO -0.06 -0.77 -0.16 0.08 -2.12 0.00 0.00 175.29 172.25 2khc s VAL 586 N 1.63 1.63 0.48 1.09 1.01 -0.92 -4.97 120.40 120.36 2khc s VAL 586 Ca 0.04 -1.93 0.37 0.00 0.00 0.00 0.00 61.98 60.46 2khc s VAL 586 Cb -0.20 -1.80 0.57 0.00 0.00 0.00 0.00 36.38 34.95 2khc s VAL 586 CO 0.08 -0.42 1.62 1.23 0.00 0.00 0.00 175.10 177.61 2khc h GLY 587 N 3.16 0.80 -5.87 4.51 0.00 -2.07 -2.41 103.07 101.19 2khc h GLY 587 Ca -0.40 -0.07 -0.40 0.00 0.00 0.00 0.00 47.33 46.46 2khc h GLY 587 CO 0.54 -0.25 -0.76 -0.51 0.00 0.00 0.00 176.54 175.56 2khc s THR 588 N -5.14 -0.24 -0.30 4.70 -4.23 -1.26 -5.07 115.64 104.10 2khc s THR 588 Ca -0.07 -1.84 -0.09 0.00 -1.18 0.00 0.00 61.69 58.52 2khc s THR 588 Cb 0.28 -0.72 0.17 0.00 1.34 0.00 0.00 72.50 73.57 2khc s THR 588 CO 0.84 -0.71 0.81 -0.54 -0.54 0.00 0.00 174.62 174.49 2khc s LYS 589 N 0.53 0.41 -0.10 3.99 1.02 -0.91 -5.15 119.74 119.54 2khc s LYS 589 Ca 0.30 0.88 0.03 0.00 0.02 0.00 0.00 55.97 57.20 2khc s LYS 589 Cb 0.00 0.51 -0.01 0.00 -0.52 0.00 0.00 37.83 37.82 2khc s LYS 589 CO -0.12 -0.30 -0.21 0.50 -0.92 0.00 0.00 175.35 174.29 2khc s ARG 590 N 2.78 3.05 0.31 1.68 3.52 -1.23 -2.16 118.95 126.90 2khc s ARG 590 Ca 0.04 -0.83 -0.27 0.00 -0.13 0.00 0.00 55.73 54.54 2khc s ARG 590 Cb -0.11 -2.36 -0.10 0.00 -1.56 0.00 0.00 34.95 30.83 2khc s ARG 590 CO -0.17 0.22 0.97 -1.17 -0.81 0.00 0.00 175.30 174.34 2khc s LEU 591 N 0.25 4.41 -0.52 -0.88 2.96 -0.98 -4.82 118.68 119.09 2khc s LEU 591 Ca -0.15 1.93 -0.25 0.00 -0.22 0.00 0.00 54.13 55.45 2khc s LEU 591 Cb -0.17 -3.91 0.04 0.00 0.50 0.00 0.00 46.19 42.65 2khc s LEU 591 CO 0.07 -0.08 0.96 -0.54 -1.32 0.00 0.00 176.35 175.45 2khc s LYS 592 N -1.85 3.42 -0.53 1.98 3.01 -1.25 -4.20 119.74 120.31 2khc s LYS 592 Ca 0.48 -0.06 -0.22 0.00 -1.01 0.00 0.00 55.97 55.17 2khc s LYS 592 Cb -0.22 -4.00 0.05 0.00 -1.01 0.00 0.00 37.83 32.65 2khc s LYS 592 CO 0.28 -1.41 0.80 0.54 0.51 0.00 0.00 175.35 176.06 2khc s VAL 593 N 3.98 4.61 -0.48 3.17 0.11 -1.26 -2.18 120.40 128.35 2khc s VAL 593 Ca 0.34 -0.10 -0.12 0.00 -2.93 0.00 0.00 61.98 59.16 2khc s VAL 593 Cb -0.11 -4.44 0.10 0.00 -1.53 0.00 0.00 36.38 30.40 2khc s VAL 593 CO 0.22 -0.99 0.38 -1.10 -3.33 0.00 0.00 175.10 170.28 2khc s GLN 594 N 3.35 2.76 0.25 1.54 -1.52 -0.91 -4.93 119.66 120.20 2khc s GLN 594 Ca 0.23 -1.57 -0.21 0.00 -1.95 0.00 0.00 55.36 51.86 2khc s GLN 594 Cb -0.16 -4.04 -0.09 0.00 -0.22 0.00 0.00 33.01 28.51 2khc s GLN 594 CO 0.15 -1.13 0.78 -0.48 -0.25 0.00 0.00 175.29 174.36 2khc s LEU 595 N 1.51 4.32 -0.17 2.90 0.05 -1.26 -2.07 118.68 123.95 2khc s LEU 595 Ca 0.04 1.51 -0.07 0.00 0.05 0.00 0.00 54.13 55.66 2khc s LEU 595 Cb -0.26 -3.72 0.08 0.00 -2.05 0.00 0.00 46.19 40.23 2khc s LEU 595 CO 0.03 -0.01 0.37 -1.59 -0.55 0.00 0.00 176.35 174.60 2khc s LYS 596 N -2.06 0.28 0.00 1.48 -2.85 -0.56 -5.00 119.74 111.03 2khc s LYS 596 Ca 0.45 0.91 0.24 0.00 -1.00 0.00 0.00 55.97 56.57 2khc s LYS 596 Cb -0.17 0.17 0.24 0.00 -2.06 0.00 0.00 37.83 36.02 2khc s LYS 596 CO 0.21 -0.24 1.29 1.63 0.10 0.00 0.00 175.35 178.34