#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khc h ALA 481 N 0.00 0.68 0.00 0.00 0.00 -2.11 -3.48 119.26 114.35 2khc h ALA 481 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 54.91 53.56 2khc h ALA 481 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2khc h ALA 481 CO 0.00 1.51 0.00 0.41 0.00 0.00 0.00 179.25 181.17 2khc n GLY 482 N 1.51 1.69 2.67 0.00 0.00 -1.26 -5.10 105.19 104.69 2khc n GLY 482 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 2khc n GLY 482 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2khc s LEU 483 N 0.00 1.52 0.26 0.99 0.05 -1.26 -5.14 118.68 115.10 2khc s LEU 483 Ca 0.00 -1.40 0.03 0.00 0.05 0.00 0.00 54.13 52.81 2khc s LEU 483 Cb 0.00 -0.65 -0.03 0.00 -2.05 0.00 0.00 46.19 43.46 2khc s LEU 483 CO 0.00 -0.41 0.40 -2.16 -0.55 0.00 0.00 176.35 173.63 2khc s PRO 484 N 1.81 3.46 0.46 1.48 0.04 -1.26 -5.13 135.00 135.87 2khc s PRO 484 Ca 0.08 -0.61 0.08 0.00 0.04 0.00 0.00 61.00 60.59 2khc s PRO 484 Cb -0.17 -2.84 0.01 0.00 0.04 0.00 0.00 34.50 31.55 2khc s PRO 484 CO -0.27 0.37 0.50 -1.14 0.04 0.00 0.00 177.00 176.50 2khc s GLN 485 N -3.95 2.52 0.24 4.56 0.74 -1.26 -5.11 119.66 117.40 2khc s GLN 485 Ca 0.36 -1.56 -0.17 0.00 0.05 0.00 0.00 55.36 54.04 2khc s GLN 485 Cb -0.09 -2.47 -0.08 0.00 1.10 0.00 0.00 33.01 31.46 2khc s GLN 485 CO 0.31 -0.40 0.70 -0.06 -0.55 0.00 0.00 175.29 175.29 2khc s PHE 486 N -2.52 3.55 0.00 1.67 0.08 -1.26 -4.45 117.98 115.05 2khc s PHE 486 Ca 0.50 1.27 0.00 0.00 0.12 0.00 0.00 56.93 58.82 2khc s PHE 486 Cb -0.05 -2.54 0.00 0.00 -0.57 0.00 0.00 43.02 39.86 2khc s PHE 486 CO 0.30 0.28 0.00 0.41 -0.10 0.00 0.00 175.22 176.11 2khc n GLY 487 N 0.39 1.53 3.34 4.36 0.00 -1.26 -5.12 105.19 108.43 2khc n GLY 487 Ca -0.01 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 2khc n GLY 487 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2khc s SER 488 N -0.21 2.71 0.46 1.61 1.04 -1.26 -5.16 113.70 112.89 2khc s SER 488 Ca 0.00 -0.90 0.06 0.00 0.48 0.00 0.00 55.95 55.59 2khc s SER 488 Cb 0.00 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.98 2khc s SER 488 CO 0.00 -0.06 0.64 0.00 0.98 0.00 0.00 173.24 174.80 2khc s ALA 489 N -2.26 4.32 -0.30 5.32 0.00 -1.26 -5.01 121.76 122.57 2khc s ALA 489 Ca 0.18 -1.56 -0.28 0.00 0.00 0.00 0.00 51.96 50.30 2khc s ALA 489 Cb -0.05 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 2khc s ALA 489 CO 0.07 -0.44 2.04 -1.54 0.00 0.00 0.00 175.76 175.89 2khc s SER 490 N -4.38 5.56 0.22 0.00 1.04 -1.26 -4.96 113.70 109.93 2khc s SER 490 Ca 0.56 1.51 -0.16 0.00 0.48 0.00 0.00 55.95 58.34 2khc s SER 490 Cb -0.10 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.42 2khc s SER 490 CO 0.35 -1.94 0.65 0.00 0.98 0.00 0.00 173.24 173.29 2khc s ALA 491 N 8.01 3.46 -0.17 5.32 0.00 -1.26 -5.07 121.76 132.05 2khc s ALA 491 Ca 0.90 -0.00 -0.05 0.00 0.00 0.00 0.00 51.96 52.81 2khc s ALA 491 Cb -0.26 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 2khc s ALA 491 CO 0.33 0.39 -0.01 -0.51 0.00 0.00 0.00 175.76 175.95 2khc s LEU 492 N -2.31 3.35 -0.23 0.00 2.01 -1.26 -5.09 118.68 115.14 2khc s LEU 492 Ca 0.45 -0.10 -0.11 0.00 0.01 0.00 0.00 54.13 54.38 2khc s LEU 492 Cb -0.14 -1.82 -0.05 0.00 0.01 0.00 0.00 46.19 44.19 2khc s LEU 492 CO 0.20 0.16 0.16 -0.55 1.01 0.00 0.00 176.35 177.33 2khc s SER 493 N 0.44 6.14 0.23 2.29 0.15 -1.26 -5.08 113.70 116.62 2khc s SER 493 Ca -0.02 0.15 -0.30 0.00 0.70 0.00 0.00 55.95 56.47 2khc s SER 493 Cb -0.14 -2.11 -0.09 0.00 -1.71 0.00 0.00 66.02 61.98 2khc s SER 493 CO 0.02 0.08 0.95 0.42 1.20 0.00 0.00 173.24 175.92 2khc s THR 494 N 0.94 4.06 0.03 6.45 -4.23 -1.26 -5.06 115.64 116.57 2khc s THR 494 Ca 0.08 2.05 0.06 0.00 -1.18 0.00 0.00 61.69 62.70 2khc s THR 494 Cb -0.13 -4.30 -0.03 0.00 1.34 0.00 0.00 72.50 69.37 2khc s THR 494 CO 0.03 0.48 -0.15 -0.94 -0.54 0.00 0.00 174.62 173.50 2khc s SER 495 N -1.06 4.05 0.99 3.99 1.04 -1.26 -5.12 113.70 116.33 2khc s SER 495 Ca 0.42 -0.35 -0.14 0.00 0.48 0.00 0.00 55.95 56.36 2khc s SER 495 Cb -0.26 -0.75 0.07 0.00 0.10 0.00 0.00 66.02 65.18 2khc s SER 495 CO 0.32 0.26 0.41 -2.65 0.98 0.00 0.00 173.24 172.57 2khc n PRO 496 N 1.52 -0.68 -3.09 4.02 -0.02 -1.26 -4.92 135.00 130.57 2khc n PRO 496 Ca -0.16 -0.16 -0.44 0.00 -2.02 0.00 0.00 63.50 60.72 2khc n PRO 496 Cb 0.52 -1.88 -0.05 0.00 -0.02 0.00 0.00 33.50 32.07 2khc n PRO 496 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2khc s LEU 497 N -1.89 5.06 0.13 2.45 1.98 -1.26 -5.04 118.68 120.11 2khc s LEU 497 Ca 0.58 -1.13 -0.15 0.00 -2.89 0.00 0.00 54.13 50.53 2khc s LEU 497 Cb -0.19 -2.39 -0.07 0.00 0.66 0.00 0.00 46.19 44.19 2khc s LEU 497 CO 0.66 -1.07 0.55 0.00 -1.89 0.00 0.00 176.35 174.60 2khc s ALA 498 N 2.87 3.58 0.00 5.97 0.00 -1.26 -5.01 121.76 127.91 2khc s ALA 498 Ca 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 2khc s ALA 498 Cb -0.21 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 2khc s ALA 498 CO 0.09 0.45 -0.10 -1.13 0.00 0.00 0.00 175.76 175.07 2khc n SER 499 N 1.00 1.20 -3.99 0.00 3.41 -1.26 -4.99 113.62 108.98 2khc n SER 499 Ca -0.07 0.18 -0.31 0.00 -0.26 0.00 0.00 58.87 58.41 2khc n SER 499 Cb 0.52 -0.43 -0.15 0.00 -0.26 0.00 0.00 64.21 63.88 2khc n SER 499 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2khc s VAL 500 N -2.12 1.92 0.09 -3.33 -7.23 -1.26 -5.10 120.40 103.37 2khc s VAL 500 Ca -0.09 -1.69 -0.31 0.00 -1.81 0.00 0.00 61.98 58.08 2khc s VAL 500 Cb 0.01 -2.20 -0.08 0.00 0.56 0.00 0.00 36.38 34.67 2khc s VAL 500 CO 0.13 -0.25 1.43 0.00 -0.31 0.00 0.00 175.10 176.09 2khc s ALA 501 N 1.17 3.61 -0.56 1.32 0.00 -1.26 -4.98 121.76 121.05 2khc s ALA 501 Ca -0.01 1.10 -0.06 0.00 0.00 0.00 0.00 51.96 52.99 2khc s ALA 501 Cb -0.19 -3.57 0.15 0.00 0.00 0.00 0.00 23.12 19.51 2khc s ALA 501 CO -0.08 -0.72 0.40 -1.17 0.00 0.00 0.00 175.76 174.20 2khc s LEU 502 N 1.47 5.54 -1.61 0.00 2.96 -1.26 -4.63 118.68 121.14 2khc s LEU 502 Ca 0.66 -2.42 -0.01 0.00 -0.22 0.00 0.00 54.13 52.14 2khc s LEU 502 Cb -0.37 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.40 2khc s LEU 502 CO 0.30 -0.51 0.06 -1.54 -1.32 0.00 0.00 176.35 173.33 2khc n SER 503 N 4.15 -5.50 -4.87 3.68 3.41 -1.26 -4.96 113.62 108.27 2khc n SER 503 Ca 0.02 -0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.28 2khc n SER 503 Cb 0.40 -4.58 -0.05 0.00 -0.26 0.00 0.00 64.21 59.72 2khc n SER 503 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2khc s ALA 504 N -2.97 3.74 -0.14 7.33 0.00 -1.26 -5.09 121.76 123.38 2khc s ALA 504 Ca 0.03 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.60 2khc s ALA 504 Cb -0.01 -2.24 0.02 0.00 0.00 0.00 0.00 23.12 20.88 2khc s ALA 504 CO 0.04 0.57 -0.17 0.00 0.00 0.00 0.00 175.76 176.20 2khc s ALA 505 N -1.36 1.97 -0.15 0.00 0.00 -1.26 -5.07 121.76 115.90 2khc s ALA 505 Ca 0.31 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 2khc s ALA 505 Cb -0.14 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 2khc s ALA 505 CO 0.17 -0.24 0.05 0.00 0.00 0.00 0.00 175.76 175.75 2khc s ALA 506 N 1.20 3.41 0.09 0.00 0.00 -1.26 -5.09 121.76 120.11 2khc s ALA 506 Ca -0.00 -0.75 -0.25 0.00 0.00 0.00 0.00 51.96 50.96 2khc s ALA 506 Cb -0.14 -1.79 -0.06 0.00 0.00 0.00 0.00 23.12 21.12 2khc s ALA 506 CO -0.07 0.34 0.76 0.00 0.00 0.00 0.00 175.76 176.78 2khc s ALA 507 N -0.12 3.41 0.35 0.00 0.00 -1.26 -5.07 121.76 119.07 2khc s ALA 507 Ca 0.06 0.29 0.08 0.00 0.00 0.00 0.00 51.96 52.40 2khc s ALA 507 Cb -0.12 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 2khc s ALA 507 CO 0.01 0.17 0.24 0.00 0.00 0.00 0.00 175.76 176.18 2khc s ALA 508 N -0.53 3.72 -0.05 0.00 0.00 -1.26 -5.14 121.76 118.50 2khc s ALA 508 Ca 0.37 -1.76 0.02 0.00 0.00 0.00 0.00 51.96 50.59 2khc s ALA 508 Cb -0.21 -0.96 0.01 0.00 0.00 0.00 0.00 23.12 21.96 2khc s ALA 508 CO 0.24 -0.01 -0.10 0.00 0.00 0.00 0.00 175.76 175.89 2khc s ALA 509 N -2.38 1.03 -0.09 0.00 0.00 -1.26 -5.14 121.76 113.93 2khc s ALA 509 Ca 0.40 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 52.11 2khc s ALA 509 Cb -0.04 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 2khc s ALA 509 CO 0.25 0.09 -0.23 0.00 0.00 0.00 0.00 175.76 175.86 2khc s ALA 510 N 0.65 2.10 0.41 0.00 0.00 -1.26 -4.80 121.76 118.87 2khc s ALA 510 Ca -0.12 -0.95 0.23 0.00 0.00 0.00 0.00 51.96 51.12 2khc s ALA 510 Cb -0.14 -0.76 1.23 0.00 0.00 0.00 0.00 23.12 23.44 2khc s ALA 510 CO 0.02 0.30 1.71 0.78 0.00 0.00 0.00 175.76 178.57 2khc h GLY 511 N 6.60 1.29 0.00 0.00 0.00 0.67 -3.44 103.07 108.18 2khc h GLY 511 Ca -0.22 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2khc h GLY 511 CO 0.47 -0.26 0.00 0.28 0.00 0.00 0.00 176.54 177.03 2khc n LYS 512 N -4.68 0.02 -0.96 4.80 4.76 -1.25 -4.51 118.16 116.35 2khc n LYS 512 Ca 0.30 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.37 2khc n LYS 512 Cb 1.09 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 34.33 2khc n LYS 512 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2khc n GLN 513 N 0.00 -0.15 -1.10 1.97 7.27 -0.51 -4.27 117.38 120.59 2khc n GLN 513 Ca 0.00 -0.04 -0.29 0.00 0.07 0.00 0.00 57.00 56.74 2khc n GLN 513 Cb 0.00 -1.11 0.17 0.00 2.41 0.00 0.00 30.24 31.71 2khc n GLN 513 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 2khc s ILE 514 N -2.04 2.27 0.81 1.69 1.10 -1.26 -3.64 121.20 120.12 2khc s ILE 514 Ca 0.40 0.09 -0.13 0.00 -0.51 0.00 0.00 60.65 60.50 2khc s ILE 514 Cb -0.04 -2.52 0.08 0.00 0.15 0.00 0.00 42.46 40.13 2khc s ILE 514 CO 0.73 -0.11 1.19 -0.62 -2.11 0.00 0.00 174.94 174.01 2khc n GLU 515 N -4.16 0.20 -1.52 3.50 1.02 -1.26 -4.10 120.64 114.32 2khc n GLU 515 Ca 0.06 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2khc n GLU 515 Cb 0.56 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 2khc n GLU 515 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2khc n GLY 516 N 0.58 3.70 3.55 0.62 0.00 -1.26 -5.00 105.19 107.38 2khc n GLY 516 Ca 0.14 -1.47 -0.51 0.00 0.00 0.00 0.00 46.02 44.17 2khc n GLY 516 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2khc n PRO 517 N 0.00 1.34 -1.11 1.61 -0.02 -1.26 -4.80 135.00 130.75 2khc n PRO 517 Ca 0.00 0.42 -0.29 0.00 -2.02 0.00 0.00 63.50 61.62 2khc n PRO 517 Cb 0.00 -2.46 0.18 0.00 -0.02 0.00 0.00 33.50 31.21 2khc n PRO 517 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2khc s GLU 518 N 5.31 0.27 0.00 -0.52 2.02 -1.26 -3.89 118.70 120.64 2khc s GLU 518 Ca 1.04 0.53 0.00 0.00 0.02 0.00 0.00 54.97 56.56 2khc s GLU 518 Cb -0.85 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 31.66 2khc s GLU 518 CO 0.52 -2.84 0.00 0.41 0.02 0.00 0.00 175.26 173.37 2khc n GLY 519 N -0.92 1.10 1.13 -1.39 0.00 -1.26 -4.95 105.19 98.89 2khc n GLY 519 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.16 6.56 0.04 0.00 0.01 -0.65 -2.12 114.94 115.63 2khc s ASN 521 Ca 0.39 0.66 0.09 0.00 -0.71 0.00 0.00 52.86 53.30 2khc s ASN 521 Cb 0.38 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.81 2khc s ASN 521 CO -0.06 0.18 -0.26 -0.22 -1.51 0.00 0.00 177.10 175.22 2khc s LEU 522 N -0.07 2.16 -0.18 0.60 2.96 -0.65 -1.49 118.68 122.00 2khc s LEU 522 Ca 0.19 -0.58 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2khc s LEU 522 Cb -0.14 -1.30 0.03 0.00 0.50 0.00 0.00 46.19 45.29 2khc s LEU 522 CO 0.07 0.27 -0.11 0.12 -1.32 0.00 0.00 176.35 175.37 2khc s PHE 523 N -0.78 2.27 0.11 5.38 2.19 -0.89 -2.16 117.98 124.10 2khc s PHE 523 Ca 0.12 -1.42 0.10 0.00 0.33 0.00 0.00 56.93 56.06 2khc s PHE 523 Cb -0.10 -1.60 -0.04 0.00 -1.31 0.00 0.00 43.02 39.97 2khc s PHE 523 CO 0.02 -0.71 -0.26 0.96 1.83 0.00 0.00 175.22 177.07 2khc s ILE 524 N 1.45 2.12 -0.33 3.12 -0.00 -0.92 -2.04 121.20 124.60 2khc s ILE 524 Ca 0.01 -1.64 -0.00 0.00 -0.00 0.00 0.00 60.65 59.02 2khc s ILE 524 Cb -0.15 -1.87 0.13 0.00 -0.00 0.00 0.00 42.46 40.58 2khc s ILE 524 CO -0.09 0.11 0.26 -0.72 -0.00 0.00 0.00 174.94 174.49 2khc s TYR 525 N -1.03 0.05 0.00 1.37 -0.85 -0.91 -1.51 117.35 114.47 2khc s TYR 525 Ca 0.12 -0.86 0.00 0.00 -0.52 0.00 0.00 57.07 55.81 2khc s TYR 525 Cb -0.10 -0.65 0.00 0.00 0.38 0.00 0.00 41.96 41.59 2khc s TYR 525 CO 0.05 -0.89 0.00 1.58 -1.52 0.00 0.00 175.55 174.77 2khc n HIS 526 N 4.70 0.00 -2.33 -3.49 -0.00 0.02 -3.96 115.22 110.16 2khc n HIS 526 Ca 0.04 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.83 2khc n HIS 526 Cb 0.43 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.27 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 -3.64 4.30 0.94 0.27 -0.00 0.38 -3.36 118.68 117.56 2khc s LEU 527 Ca 0.00 2.35 -0.15 0.00 -0.00 0.00 0.00 54.13 56.33 2khc s LEU 527 Cb 0.00 -3.90 0.17 0.00 -0.00 0.00 0.00 46.19 42.45 2khc s LEU 527 CO 0.00 -0.53 1.23 -2.16 -0.00 0.00 0.00 176.35 174.89 2khc s PRO 528 N -2.07 0.88 0.63 1.48 0.04 -1.26 0.29 135.00 134.99 2khc s PRO 528 Ca 0.53 -0.10 0.30 0.00 0.04 0.00 0.00 61.00 61.77 2khc s PRO 528 Cb -0.31 -1.85 1.61 0.00 0.04 0.00 0.00 34.50 33.99 2khc s PRO 528 CO 0.40 -2.30 1.95 0.37 0.04 0.00 0.00 177.00 177.46 2khc h GLN 529 N -1.56 0.00 -0.09 4.56 4.15 -1.79 -0.61 115.11 119.76 2khc h GLN 529 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 2khc h GLN 529 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.97 2khc h GLN 529 CO 0.50 0.00 0.00 0.39 -1.93 0.00 0.00 178.83 177.79 2khc n GLU 530 N -3.28 1.46 -3.52 1.69 4.71 -1.26 -4.83 120.64 115.61 2khc n GLU 530 Ca 0.02 -0.69 -0.37 0.00 -0.01 0.00 0.00 57.16 56.11 2khc n GLU 530 Cb 0.45 -1.37 -0.06 0.00 -1.01 0.00 0.00 31.44 29.45 2khc n GLU 530 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 2khc s PHE 531 N -1.89 3.59 0.09 -0.32 2.19 -0.24 -5.08 117.98 116.32 2khc s PHE 531 Ca 0.32 0.80 0.02 0.00 0.33 0.00 0.00 56.93 58.40 2khc s PHE 531 Cb 0.17 -2.31 -0.04 0.00 -1.31 0.00 0.00 43.02 39.52 2khc s PHE 531 CO 0.26 0.44 0.13 -0.08 1.83 0.00 0.00 175.22 177.80 2khc s THR 532 N -0.28 4.77 0.30 0.12 -1.32 -1.26 -4.85 115.64 113.12 2khc s THR 532 Ca 0.21 -0.71 0.20 0.00 -1.21 0.00 0.00 61.69 60.18 2khc s THR 532 Cb -0.15 -3.33 0.17 0.00 -1.51 0.00 0.00 72.50 67.69 2khc s THR 532 CO 0.09 0.09 1.87 -2.24 -2.21 0.00 0.00 174.62 172.22 2khc h ASP 533 N 3.09 0.00 -0.40 8.08 2.03 -1.79 -2.81 116.42 124.62 2khc h ASP 533 Ca -0.46 0.00 0.12 0.00 -0.73 0.00 0.00 57.03 55.95 2khc h ASP 533 Cb 1.17 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.65 2khc h ASP 533 CO 0.68 0.29 0.29 0.74 -1.03 0.00 0.00 179.24 180.21 2khc h THR 534 N 0.00 0.78 -0.16 1.15 2.02 -1.88 -1.98 112.91 112.84 2khc h THR 534 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2khc h THR 534 Cb 0.65 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2khc h THR 534 CO 0.04 0.00 0.01 -0.78 0.37 0.00 0.00 175.52 175.16 2khc h ASP 535 N 0.00 0.26 -0.49 4.18 3.58 -1.88 -2.13 116.42 119.95 2khc h ASP 535 Ca 0.19 -0.28 -0.09 0.00 0.42 0.00 0.00 57.03 57.27 2khc h ASP 535 Cb 0.77 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 2khc h ASP 535 CO -0.00 0.48 -0.04 -0.07 -2.88 0.00 0.00 179.24 176.73 2khc h LEU 536 N 0.04 0.88 -0.77 2.28 4.07 -1.55 -2.51 115.31 117.75 2khc h LEU 536 Ca 0.05 -0.33 -0.01 0.00 0.08 0.00 0.00 57.88 57.67 2khc h LEU 536 Cb 0.34 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.80 2khc h LEU 536 CO 0.01 1.00 0.46 0.00 -1.08 0.00 0.00 178.44 178.82 2khc h ALA 537 N 0.91 0.98 0.43 1.53 0.00 -1.41 -2.01 119.26 119.69 2khc h ALA 537 Ca 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2khc h ALA 537 Cb 0.57 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2khc h ALA 537 CO 0.03 0.46 -0.21 1.03 0.00 0.00 0.00 179.25 180.57 2khc h SER 538 N 1.06 -0.49 -0.84 0.00 0.87 -1.26 -0.53 113.55 112.35 2khc h SER 538 Ca 0.28 -0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.82 2khc h SER 538 Cb -0.02 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 2khc h SER 538 CO -0.05 -0.25 0.55 0.74 -0.53 0.00 0.00 176.83 177.30 2khc h THR 539 N -0.71 1.11 0.00 2.23 2.02 -1.44 -1.97 112.91 114.16 2khc h THR 539 Ca -0.06 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2khc h THR 539 Cb 0.51 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2khc h THR 539 CO 0.10 0.19 0.00 0.33 0.37 0.00 0.00 175.52 176.50 2khc n PHE 540 N -4.46 0.16 -0.53 3.16 7.35 -0.76 -4.62 117.46 117.76 2khc n PHE 540 Ca 0.11 0.05 0.43 0.00 -0.76 0.00 0.00 57.45 57.29 2khc n PHE 540 Cb 0.14 -0.59 0.71 0.00 0.35 0.00 0.00 39.48 40.09 2khc n PHE 540 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2khc h LEU 541 N 0.00 0.16 -1.06 -2.13 3.38 -0.28 0.21 115.31 115.58 2khc h LEU 541 Ca 0.00 0.12 0.41 0.00 0.09 0.00 0.00 57.88 58.50 2khc h LEU 541 Cb 0.40 0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.12 2khc h LEU 541 CO 0.00 -0.20 0.62 -2.65 0.09 0.00 0.00 178.44 176.30 2khc n PRO 542 N -4.55 -0.05 -0.17 1.13 -0.02 -1.26 -2.48 135.00 127.59 2khc n PRO 542 Ca 0.41 1.25 0.00 0.00 -2.02 0.00 0.00 63.50 63.14 2khc n PRO 542 Cb 1.66 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 2khc n PRO 542 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2khc n PHE 543 N -4.93 0.00 0.00 6.00 1.16 0.73 -4.74 117.46 115.68 2khc n PHE 543 Ca 0.36 -0.32 0.00 0.00 -1.87 0.00 0.00 57.45 55.62 2khc n PHE 543 Cb 1.30 -0.48 0.00 0.00 -1.61 0.00 0.00 39.48 38.70 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 3.46 0.00 3.51 4.97 0.00 -1.03 -4.06 105.19 112.03 2khc n GLY 544 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.40 2khc n GLY 544 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2khc n ASN 545 N 0.00 1.24 -4.32 1.61 2.85 -0.41 -4.82 115.26 111.41 2khc n ASN 545 Ca 0.00 0.89 -0.37 0.00 -0.11 0.00 0.00 54.58 55.00 2khc n ASN 545 Cb 0.00 -0.95 -0.13 0.00 1.24 0.00 0.00 39.78 39.94 2khc n ASN 545 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2khc s VAL 546 N 4.71 3.76 -0.17 3.44 -7.23 -1.26 -1.90 120.40 121.76 2khc s VAL 546 Ca 1.11 -0.73 0.01 0.00 -1.81 0.00 0.00 61.98 60.56 2khc s VAL 546 Cb -1.39 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 32.64 2khc s VAL 546 CO 0.70 0.12 -0.19 -0.51 -0.31 0.00 0.00 175.10 174.92 2khc s ILE 547 N 1.47 2.21 0.05 -0.62 -1.16 -0.90 -1.42 121.20 120.82 2khc s ILE 547 Ca 0.02 -0.90 0.07 0.00 -0.51 0.00 0.00 60.65 59.33 2khc s ILE 547 Cb -0.17 -1.92 -0.03 0.00 0.61 0.00 0.00 42.46 40.96 2khc s ILE 547 CO 0.01 0.53 -0.20 -0.94 -2.81 0.00 0.00 174.94 171.53 2khc s SER 548 N 1.12 2.40 0.09 4.50 1.04 -1.25 -1.45 113.70 120.14 2khc s SER 548 Ca 0.01 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 55.91 2khc s SER 548 Cb -0.14 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.75 2khc s SER 548 CO -0.08 0.14 -0.04 0.00 0.98 0.00 0.00 173.24 174.24 2khc s ALA 549 N -0.83 0.82 0.05 5.32 0.00 0.18 0.11 121.76 127.42 2khc s ALA 549 Ca 0.07 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.74 2khc s ALA 549 Cb -0.09 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 2khc s ALA 549 CO 0.02 -0.30 -0.10 -1.59 0.00 0.00 0.00 175.76 173.79 2khc s LYS 550 N -3.88 0.63 -0.38 0.00 -2.85 27.76 -2.12 119.74 138.90 2khc s LYS 550 Ca 0.11 -0.83 0.03 0.00 -1.00 0.00 0.00 55.97 54.29 2khc s LYS 550 Cb 0.06 -0.48 0.11 0.00 -2.06 0.00 0.00 37.83 35.46 2khc s LYS 550 CO -0.06 0.10 0.12 0.08 0.10 0.00 0.00 175.35 175.69 2khc s VAL 551 N -1.34 2.09 -0.17 1.79 1.01 -0.57 -4.87 120.40 118.35 2khc s VAL 551 Ca -0.07 -2.46 0.00 0.00 0.00 0.00 0.00 61.98 59.45 2khc s VAL 551 Cb -0.10 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.76 2khc s VAL 551 CO 0.01 -0.68 -0.15 0.72 0.00 0.00 0.00 175.10 175.00 2khc s PHE 552 N 0.68 2.79 -0.00 5.22 -0.71 -1.26 -2.25 117.98 122.45 2khc s PHE 552 Ca 0.13 -1.14 0.04 0.00 -1.04 0.00 0.00 56.93 54.92 2khc s PHE 552 Cb -0.21 -1.91 -0.01 0.00 -1.21 0.00 0.00 43.02 39.68 2khc s PHE 552 CO -0.08 -0.54 -0.14 0.42 -1.34 0.00 0.00 175.22 173.54 2khc s ILE 553 N 0.97 1.08 -0.43 -4.49 1.01 -1.26 -4.90 121.20 113.18 2khc s ILE 553 Ca -0.02 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.04 2khc s ILE 553 Cb -0.15 -0.91 0.18 0.00 0.01 0.00 0.00 42.46 41.59 2khc s ILE 553 CO -0.03 0.25 0.58 -1.81 0.00 0.00 0.00 174.94 173.94 2khc s ASP 554 N -0.46 -0.75 0.00 3.58 1.01 -0.99 -3.87 116.67 115.18 2khc s ASP 554 Ca 0.05 -1.32 0.00 0.00 0.71 0.00 0.00 52.55 51.98 2khc s ASP 554 Cb -0.06 1.51 0.00 0.00 1.01 0.00 0.00 42.92 45.38 2khc s ASP 554 CO -0.00 -0.16 0.00 1.17 0.21 0.00 0.00 175.17 176.39 2khc n LYS 555 N 3.93 0.00 -0.02 8.23 0.00 -1.26 -4.75 118.16 124.30 2khc n LYS 555 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.43 2khc n LYS 555 Cb 0.54 -0.37 -0.01 0.00 0.00 0.00 0.00 35.03 35.19 2khc n LYS 555 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2khc n GLN 556 N -2.33 0.11 0.00 1.64 7.27 -1.26 -4.80 117.38 118.01 2khc n GLN 556 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.11 2khc n GLN 556 Cb 0.00 -0.61 0.00 0.00 2.41 0.00 0.00 30.24 32.04 2khc n GLN 556 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2khc n THR 557 N -2.98 0.06 1.05 1.69 5.66 -1.26 -4.62 114.28 113.88 2khc n THR 557 Ca -0.03 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 2khc n THR 557 Cb 0.11 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 69.91 2khc n THR 557 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2khc n SER 558 N -0.03 0.10 -3.95 1.09 7.64 -1.26 -4.79 113.62 112.41 2khc n SER 558 Ca 0.00 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.73 2khc n SER 558 Cb 0.03 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2khc n SER 558 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2khc n LEU 559 N -0.38 0.00 -4.36 -3.43 -0.00 -1.25 -2.34 117.00 105.24 2khc n LEU 559 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 2khc n LEU 559 Cb 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.35 2khc n LEU 559 CO 0.00 -0.14 1.26 -1.54 -0.00 0.00 0.00 177.39 176.97 2khc n SER 560 N 0.00 -0.31 -3.29 1.45 3.41 -1.26 -4.52 113.62 109.09 2khc n SER 560 Ca 0.00 -1.58 -0.06 0.00 -0.26 0.00 0.00 58.87 56.97 2khc n SER 560 Cb 0.00 -1.09 -0.06 0.00 -0.26 0.00 0.00 64.21 62.80 2khc n SER 560 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2khc s LYS 561 N 7.07 0.41 0.00 4.33 -2.85 -1.26 -4.58 119.74 122.86 2khc s LYS 561 Ca 0.64 0.59 0.00 0.00 -1.00 0.00 0.00 55.97 56.20 2khc s LYS 561 Cb -0.20 -0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.37 2khc s LYS 561 CO 0.18 -0.70 0.00 0.00 0.10 0.00 0.00 175.35 174.92 2khc s PHE 563 N -4.87 0.91 0.21 0.00 -0.12 -0.92 0.14 117.98 113.34 2khc s PHE 563 Ca 0.00 -0.91 0.11 0.00 -0.05 0.00 0.00 56.93 56.08 2khc s PHE 563 Cb 0.00 -0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 41.82 2khc s PHE 563 CO 0.00 -0.14 -0.21 0.20 -0.05 0.00 0.00 175.22 175.02 2khc s GLY 564 N -3.05 1.69 -0.11 1.99 0.00 -0.57 -1.51 107.32 105.76 2khc s GLY 564 Ca 0.12 -1.69 0.01 0.00 0.00 0.00 0.00 44.72 43.17 2khc s GLY 564 CO -0.04 -1.74 -0.16 -1.36 0.00 0.00 0.00 173.10 169.80 2khc s PHE 565 N -2.08 2.74 -0.13 1.90 0.40 -0.90 -2.16 117.98 117.75 2khc s PHE 565 Ca 0.23 -0.65 -0.01 0.00 -0.60 0.00 0.00 56.93 55.90 2khc s PHE 565 Cb -0.06 -1.78 0.04 0.00 0.51 0.00 0.00 43.02 41.73 2khc s PHE 565 CO 0.11 -0.19 -0.01 0.08 0.70 0.00 0.00 175.22 175.91 2khc s VAL 566 N 0.17 0.64 -0.41 -0.44 1.01 -0.92 -2.00 120.40 118.47 2khc s VAL 566 Ca -0.09 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 2khc s VAL 566 Cb -0.15 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.36 2khc s VAL 566 CO 0.05 0.11 0.29 -0.44 0.00 0.00 0.00 175.10 175.12 2khc s SER 567 N 1.84 6.07 -0.24 3.32 0.01 -0.53 -1.64 113.70 122.54 2khc s SER 567 Ca 0.02 -0.91 -0.09 0.00 1.31 0.00 0.00 55.95 56.28 2khc s SER 567 Cb -0.14 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 2khc s SER 567 CO -0.07 -0.44 0.13 -0.36 0.41 0.00 0.00 173.24 172.91 2khc s PHE 568 N 1.67 3.24 -0.52 2.43 0.08 -0.90 -2.12 117.98 121.87 2khc s PHE 568 Ca 0.05 0.06 0.04 0.00 0.12 0.00 0.00 56.93 57.20 2khc s PHE 568 Cb -0.19 -2.25 0.14 0.00 -0.57 0.00 0.00 43.02 40.15 2khc s PHE 568 CO 0.10 -0.03 0.29 -0.51 -0.10 0.00 0.00 175.22 174.97 2khc s ASP 569 N 1.14 4.12 0.20 1.36 1.01 -0.80 -1.93 116.67 121.77 2khc s ASP 569 Ca 0.06 -3.03 -0.20 0.00 0.71 0.00 0.00 52.55 50.09 2khc s ASP 569 Cb -0.14 -1.43 0.04 0.00 1.01 0.00 0.00 42.92 42.39 2khc s ASP 569 CO 0.05 -0.22 0.58 0.21 0.21 0.00 0.00 175.17 176.00 2khc s ASN 570 N -0.27 -0.35 0.81 0.27 3.84 -1.26 -1.28 114.94 116.69 2khc s ASN 570 Ca 0.19 -0.37 -0.11 0.00 0.21 0.00 0.00 52.86 52.78 2khc s ASN 570 Cb -0.22 0.61 0.02 0.00 -0.55 0.00 0.00 41.25 41.11 2khc s ASN 570 CO -0.03 -1.08 -0.24 -0.81 -2.79 0.00 0.00 177.10 172.15 2khc n PRO 571 N -0.37 -0.81 0.12 0.43 -0.04 -1.26 -4.33 135.00 128.74 2khc n PRO 571 Ca -0.11 -0.24 0.19 0.00 -0.04 0.00 0.00 63.50 63.30 2khc n PRO 571 Cb 0.63 -1.19 0.69 0.00 -0.04 0.00 0.00 33.50 33.58 2khc n PRO 571 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2khc h ASP 572 N -2.01 0.00 -0.88 3.54 3.58 -2.01 0.26 116.42 118.91 2khc h ASP 572 Ca -0.19 0.00 0.19 0.00 0.42 0.00 0.00 57.03 57.45 2khc h ASP 572 Cb 0.63 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.61 2khc h ASP 572 CO 0.12 0.00 0.58 -1.28 -2.88 0.00 0.00 179.24 175.78 2khc h SER 573 N 0.00 0.43 -0.43 2.28 0.87 -1.96 0.41 113.55 115.15 2khc h SER 573 Ca 0.17 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.72 2khc h SER 573 Cb 1.26 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 2khc h SER 573 CO -0.00 0.18 0.04 0.00 -0.53 0.00 0.00 176.83 176.52 2khc h ALA 574 N 1.62 0.58 -0.71 6.23 0.00 -0.66 -2.12 119.26 124.19 2khc h ALA 574 Ca 0.46 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.23 2khc h ALA 574 Cb 1.09 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 2khc h ALA 574 CO -0.18 0.33 0.34 1.96 0.00 0.00 0.00 179.25 181.70 2khc h GLN 575 N 0.59 0.54 -0.98 0.00 7.50 -0.34 0.16 115.11 122.58 2khc h GLN 575 Ca 0.13 -0.03 0.10 0.00 0.50 0.00 0.00 58.65 59.35 2khc h GLN 575 Cb 0.42 -0.12 -0.08 0.00 0.05 0.00 0.00 27.48 27.76 2khc h GLN 575 CO 0.01 0.36 0.63 0.28 -1.50 0.00 0.00 178.83 178.61 2khc h VAL 576 N 0.56 0.97 -0.17 -0.54 2.07 -0.65 0.25 116.25 118.75 2khc h VAL 576 Ca 0.36 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 2khc h VAL 576 Cb 0.42 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2khc h VAL 576 CO -0.30 0.19 -0.12 0.00 0.02 0.00 0.00 177.57 177.36 2khc h ALA 577 N 1.52 1.48 -0.02 1.67 0.00 -0.08 -2.19 119.26 121.64 2khc h ALA 577 Ca 0.46 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2khc h ALA 577 Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2khc h ALA 577 CO -0.22 0.37 -0.15 0.82 0.00 0.00 0.00 179.25 180.07 2khc h ILE 578 N 0.26 1.51 -0.07 0.00 2.04 -0.31 -2.10 117.51 118.84 2khc h ILE 578 Ca 0.05 -1.72 -0.07 0.00 1.00 0.00 0.00 64.86 64.12 2khc h ILE 578 Cb 0.38 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 2khc h ILE 578 CO 0.02 0.47 -0.22 0.11 0.00 0.00 0.00 178.15 178.53 2khc h LYS 579 N -0.50 0.27 0.00 2.37 6.56 -1.42 -3.28 116.57 120.57 2khc h LYS 579 Ca -0.01 -0.20 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 2khc h LYS 579 Cb 0.84 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 2khc h LYS 579 CO 0.03 0.82 0.00 0.00 -2.06 0.00 0.00 179.45 178.24 2khc h ALA 580 N 0.44 1.00 -3.16 3.86 0.00 -1.55 -3.45 119.26 116.40 2khc h ALA 580 Ca -0.01 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 2khc h ALA 580 Cb 0.85 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.32 2khc h ALA 580 CO 0.05 0.00 -0.82 1.41 0.00 0.00 0.00 179.25 179.88 2khc s MET 581 N -3.38 3.14 0.63 0.00 0.00 -0.79 -5.05 119.30 113.86 2khc s MET 581 Ca 0.05 -0.78 -0.11 0.00 0.00 0.00 0.00 55.69 54.85 2khc s MET 581 Cb 0.07 -2.59 -0.03 0.00 0.00 0.00 0.00 34.83 32.28 2khc s MET 581 CO 0.60 -0.04 1.04 -0.80 0.00 0.00 0.00 175.02 175.82 2khc s ASN 582 N 0.93 6.08 0.00 1.11 -0.87 -1.26 -4.70 114.94 116.22 2khc s ASN 582 Ca -0.04 1.41 0.00 0.00 -1.57 0.00 0.00 52.86 52.67 2khc s ASN 582 Cb -0.15 -2.43 0.00 0.00 -0.02 0.00 0.00 41.25 38.65 2khc s ASN 582 CO -0.03 -0.96 0.39 0.61 -2.57 0.00 0.00 177.10 174.54 2khc n GLY 583 N -2.70 -0.93 2.84 0.66 0.00 -1.26 -4.97 105.19 98.83 2khc n GLY 583 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.17 1.67 -0.40 1.61 5.36 -1.26 -4.75 117.98 120.03 2khc s PHE 584 Ca 0.00 -1.25 -0.14 0.00 -0.96 0.00 0.00 56.93 54.58 2khc s PHE 584 Cb 0.00 -1.29 0.02 0.00 -0.34 0.00 0.00 43.02 41.42 2khc s PHE 584 CO 0.00 -0.67 0.28 -0.65 -1.46 0.00 0.00 175.22 172.71 2khc s GLN 585 N 1.64 2.94 0.16 10.12 -0.21 -1.26 -2.18 119.66 130.87 2khc s GLN 585 Ca -0.03 -1.03 0.08 0.00 0.02 0.00 0.00 55.36 54.40 2khc s GLN 585 Cb -0.18 -3.92 -0.04 0.00 1.00 0.00 0.00 33.01 29.88 2khc s GLN 585 CO -0.07 -0.73 -0.17 0.08 -2.12 0.00 0.00 175.29 172.27 2khc s VAL 586 N 1.65 1.72 0.48 1.09 1.01 -0.89 -4.97 120.40 120.49 2khc s VAL 586 Ca 0.04 -1.88 0.36 0.00 0.00 0.00 0.00 61.98 60.50 2khc s VAL 586 Cb -0.19 -1.78 0.56 0.00 0.00 0.00 0.00 36.38 34.96 2khc s VAL 586 CO 0.09 -0.33 1.64 1.23 0.00 0.00 0.00 175.10 177.73 2khc h GLY 587 N 3.30 0.79 -5.90 4.51 0.00 -2.07 -2.43 103.07 101.27 2khc h GLY 587 Ca -0.42 -0.07 -0.40 0.00 0.00 0.00 0.00 47.33 46.44 2khc h GLY 587 CO 0.51 -0.23 -0.76 -0.51 0.00 0.00 0.00 176.54 175.55 2khc s THR 588 N -5.15 -0.23 -0.30 4.70 -4.23 -1.26 -5.08 115.64 104.09 2khc s THR 588 Ca -0.07 -1.80 -0.11 0.00 -1.18 0.00 0.00 61.69 58.54 2khc s THR 588 Cb 0.28 -0.72 0.17 0.00 1.34 0.00 0.00 72.50 73.56 2khc s THR 588 CO 0.84 -0.71 0.87 -0.75 -0.54 0.00 0.00 174.62 174.33 2khc s LYS 589 N 0.57 0.37 -0.06 3.99 2.20 -0.91 -5.16 119.74 120.74 2khc s LYS 589 Ca 0.29 0.80 0.05 0.00 -0.36 0.00 0.00 55.97 56.75 2khc s LYS 589 Cb -0.01 0.47 -0.01 0.00 -1.51 0.00 0.00 37.83 36.76 2khc s LYS 589 CO -0.12 -0.26 -0.22 0.50 -0.36 0.00 0.00 175.35 174.89 2khc s ARG 590 N 2.74 2.60 0.15 4.03 3.52 -1.24 -2.10 118.95 128.64 2khc s ARG 590 Ca 0.03 -0.84 -0.30 0.00 -0.13 0.00 0.00 55.73 54.48 2khc s ARG 590 Cb -0.10 -2.25 -0.07 0.00 -1.56 0.00 0.00 34.95 30.98 2khc s ARG 590 CO -0.17 0.42 0.98 -1.17 -0.81 0.00 0.00 175.30 174.56 2khc s LEU 591 N -0.25 4.53 -0.51 -0.88 0.20 -0.93 -4.80 118.68 116.05 2khc s LEU 591 Ca -0.00 1.88 -0.24 0.00 0.69 0.00 0.00 54.13 56.45 2khc s LEU 591 Cb -0.13 -3.60 0.03 0.00 -0.43 0.00 0.00 46.19 42.07 2khc s LEU 591 CO 0.03 -0.04 0.91 -1.59 -0.29 0.00 0.00 176.35 175.36 2khc s LYS 592 N -0.33 3.40 -0.49 1.98 0.00 -1.25 -4.13 119.74 118.91 2khc s LYS 592 Ca 0.46 -0.12 -0.23 0.00 0.00 0.00 0.00 55.97 56.09 2khc s LYS 592 Cb -0.25 -4.00 0.04 0.00 0.00 0.00 0.00 37.83 33.62 2khc s LYS 592 CO 0.31 -1.34 0.80 0.54 0.00 0.00 0.00 175.35 175.66 2khc s VAL 593 N 3.77 4.61 -0.47 1.79 0.11 -1.26 -2.14 120.40 126.82 2khc s VAL 593 Ca 0.32 0.21 -0.13 0.00 -2.93 0.00 0.00 61.98 59.45 2khc s VAL 593 Cb -0.12 -4.38 0.09 0.00 -1.53 0.00 0.00 36.38 30.44 2khc s VAL 593 CO 0.22 -0.85 0.36 -1.10 -3.33 0.00 0.00 175.10 170.40 2khc s GLN 594 N 3.36 2.79 0.28 1.54 -1.52 -0.87 -4.91 119.66 120.33 2khc s GLN 594 Ca 0.27 -1.50 -0.22 0.00 -1.95 0.00 0.00 55.36 51.96 2khc s GLN 594 Cb -0.14 -4.01 -0.09 0.00 -0.22 0.00 0.00 33.01 28.55 2khc s GLN 594 CO 0.20 -1.07 0.82 -0.48 -0.25 0.00 0.00 175.29 174.50 2khc s LEU 595 N 1.52 4.28 -0.17 2.90 0.05 -1.26 -2.10 118.68 123.90 2khc s LEU 595 Ca 0.04 1.57 -0.06 0.00 0.05 0.00 0.00 54.13 55.73 2khc s LEU 595 Cb -0.25 -3.86 0.08 0.00 -2.05 0.00 0.00 46.19 40.11 2khc s LEU 595 CO 0.03 -0.06 0.35 -1.59 -0.55 0.00 0.00 176.35 174.53 2khc s LYS 596 N -2.20 0.25 0.00 1.48 -2.85 -0.56 -5.00 119.74 110.87 2khc s LYS 596 Ca 0.48 0.86 0.16 0.00 -1.00 0.00 0.00 55.97 56.47 2khc s LYS 596 Cb -0.16 0.07 0.13 0.00 -2.06 0.00 0.00 37.83 35.81 2khc s LYS 596 CO 0.21 -0.31 1.02 1.63 0.10 0.00 0.00 175.35 178.00