#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 6.11 0.00 0.00 0.00 -1.26 -4.75 120.51 120.61 2khc n ALA 481 Ca 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.31 2khc n ALA 481 Cb 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 -0.62 2.81 3.10 0.00 0.00 -1.26 -5.03 105.19 104.21 2khc n GLY 482 Ca 0.56 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.22 2khc n GLY 482 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2khc s LEU 483 N 0.00 5.21 0.25 0.99 2.96 -1.26 -5.09 118.68 121.74 2khc s LEU 483 Ca 0.00 -2.36 0.03 0.00 -0.22 0.00 0.00 54.13 51.58 2khc s LEU 483 Cb 0.00 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 2khc s LEU 483 CO 0.00 -0.47 0.40 -2.16 -1.32 0.00 0.00 176.35 172.80 2khc s PRO 484 N 0.65 3.46 -0.06 0.98 0.04 -1.26 -4.87 135.00 133.94 2khc s PRO 484 Ca 0.12 -0.62 -0.02 0.00 0.04 0.00 0.00 61.00 60.51 2khc s PRO 484 Cb -0.22 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 2khc s PRO 484 CO -0.04 0.37 0.06 -0.65 0.04 0.00 0.00 177.00 176.79 2khc s GLN 485 N -3.94 3.11 0.47 4.56 -0.21 -1.26 -5.12 119.66 117.27 2khc s GLN 485 Ca 0.36 -0.38 0.06 0.00 0.02 0.00 0.00 55.36 55.41 2khc s GLN 485 Cb -0.09 -2.90 -0.02 0.00 1.00 0.00 0.00 33.01 30.99 2khc s GLN 485 CO 0.31 0.70 0.21 -0.06 -2.12 0.00 0.00 175.29 174.32 2khc s PHE 486 N -1.05 2.18 0.00 0.91 0.40 -1.26 -4.90 117.98 114.27 2khc s PHE 486 Ca 0.18 -0.73 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 2khc s PHE 486 Cb -0.12 -1.88 0.00 0.00 0.51 0.00 0.00 43.02 41.53 2khc s PHE 486 CO 0.08 0.00 0.00 0.41 0.70 0.00 0.00 175.22 176.41 2khc n GLY 487 N -1.40 2.00 3.55 4.36 0.00 -1.26 -5.07 105.19 107.37 2khc n GLY 487 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 6.24 0.46 1.61 0.15 -1.26 -5.00 113.70 113.90 2khc s SER 488 Ca 0.00 -0.69 -0.17 0.00 0.70 0.00 0.00 55.95 55.79 2khc s SER 488 Cb 0.00 -2.56 -0.09 0.00 -1.71 0.00 0.00 66.02 61.67 2khc s SER 488 CO 0.00 -1.75 0.93 0.00 1.20 0.00 0.00 173.24 173.62 2khc s ALA 489 N 5.49 3.11 -0.11 5.45 0.00 -1.26 -5.05 121.76 129.39 2khc s ALA 489 Ca 0.37 0.19 -0.13 0.00 0.00 0.00 0.00 51.96 52.38 2khc s ALA 489 Cb -0.07 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 2khc s ALA 489 CO 0.09 -0.06 0.30 0.45 0.00 0.00 0.00 175.76 176.54 2khc s SER 490 N -2.77 6.52 0.05 0.00 0.15 -1.26 -5.08 113.70 111.32 2khc s SER 490 Ca 0.58 0.62 -0.21 0.00 0.70 0.00 0.00 55.95 57.64 2khc s SER 490 Cb -0.10 -2.18 -0.06 0.00 -1.71 0.00 0.00 66.02 61.97 2khc s SER 490 CO 0.25 0.20 0.63 0.00 1.20 0.00 0.00 173.24 175.53 2khc s ALA 491 N -0.15 3.50 -0.23 5.45 0.00 -1.26 -5.06 121.76 124.01 2khc s ALA 491 Ca 0.18 0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.22 2khc s ALA 491 Cb -0.14 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.22 2khc s ALA 491 CO 0.06 0.25 -0.05 -0.51 0.00 0.00 0.00 175.76 175.51 2khc s LEU 492 N -0.64 2.96 0.45 0.00 2.01 -1.26 -5.11 118.68 117.09 2khc s LEU 492 Ca 0.32 -0.55 -0.01 0.00 0.01 0.00 0.00 54.13 53.90 2khc s LEU 492 Cb -0.20 -1.71 -0.01 0.00 0.01 0.00 0.00 46.19 44.28 2khc s LEU 492 CO 0.20 -0.06 0.68 -0.94 1.01 0.00 0.00 176.35 177.25 2khc s SER 493 N 1.43 5.95 0.06 2.29 1.04 -1.26 -5.06 113.70 118.14 2khc s SER 493 Ca 0.04 0.43 -0.30 0.00 0.48 0.00 0.00 55.95 56.60 2khc s SER 493 Cb -0.15 -1.73 -0.05 0.00 0.10 0.00 0.00 66.02 64.20 2khc s SER 493 CO -0.04 -0.64 1.05 0.42 0.98 0.00 0.00 173.24 175.00 2khc s THR 494 N -2.57 4.48 -0.02 2.02 -4.23 -1.26 -5.05 115.64 109.01 2khc s THR 494 Ca 0.47 1.86 0.04 0.00 -1.18 0.00 0.00 61.69 62.88 2khc s THR 494 Cb -0.10 -4.19 -0.01 0.00 1.34 0.00 0.00 72.50 69.54 2khc s THR 494 CO 0.39 0.19 -0.14 -0.44 -0.54 0.00 0.00 174.62 174.08 2khc s SER 495 N 0.72 1.73 1.19 3.99 0.01 -1.26 -5.15 113.70 114.92 2khc s SER 495 Ca 0.53 -0.27 -0.17 0.00 1.31 0.00 0.00 55.95 57.34 2khc s SER 495 Cb -0.25 -0.28 0.26 0.00 0.21 0.00 0.00 66.02 65.96 2khc s SER 495 CO 0.29 0.16 0.57 -2.65 0.41 0.00 0.00 173.24 172.03 2khc n PRO 496 N 2.88 -3.30 -0.07 12.44 -0.02 -1.26 -4.97 135.00 140.70 2khc n PRO 496 Ca -0.16 -0.98 -0.11 0.00 -2.02 0.00 0.00 63.50 60.23 2khc n PRO 496 Cb 0.54 -1.65 -0.15 0.00 -0.02 0.00 0.00 33.50 32.22 2khc n PRO 496 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2khc n LEU 497 N -3.07 0.83 -4.59 2.45 7.94 -1.26 -4.81 117.00 114.49 2khc n LEU 497 Ca 0.09 0.11 -0.42 0.00 -1.11 0.00 0.00 56.01 54.68 2khc n LEU 497 Cb 0.44 0.11 -0.03 0.00 0.53 0.00 0.00 43.42 44.47 2khc n LEU 497 CO 0.30 0.55 1.58 0.00 -1.11 0.00 0.00 177.39 178.71 2khc s ALA 498 N -2.53 2.76 -0.12 1.96 0.00 -1.26 -4.27 121.76 118.31 2khc s ALA 498 Ca -0.13 0.21 -0.09 0.00 0.00 0.00 0.00 51.96 51.96 2khc s ALA 498 Cb 0.07 -4.05 0.03 0.00 0.00 0.00 0.00 23.12 19.17 2khc s ALA 498 CO 0.79 -2.81 0.17 0.43 0.00 0.00 0.00 175.76 174.35 2khc n SER 499 N 10.77 -3.27 -4.49 0.00 7.64 -1.26 -4.98 113.62 118.02 2khc n SER 499 Ca 0.24 1.51 -0.36 0.00 1.01 0.00 0.00 58.87 61.27 2khc n SER 499 Cb 0.47 -5.24 -0.12 0.00 -1.01 0.00 0.00 64.21 58.32 2khc n SER 499 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2khc s VAL 500 N -0.64 4.34 0.20 0.44 0.11 -1.26 -4.94 120.40 118.65 2khc s VAL 500 Ca -0.20 -0.17 -0.22 0.00 -2.93 0.00 0.00 61.98 58.46 2khc s VAL 500 Cb 0.01 -3.00 -0.08 0.00 -1.53 0.00 0.00 36.38 31.79 2khc s VAL 500 CO 0.54 0.39 0.75 0.00 -3.33 0.00 0.00 175.10 173.44 2khc s ALA 501 N 1.15 3.42 -0.10 1.54 0.00 -1.26 -5.07 121.76 121.44 2khc s ALA 501 Ca 0.04 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.22 2khc s ALA 501 Cb -0.14 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 2khc s ALA 501 CO 0.03 0.31 0.01 -0.51 0.00 0.00 0.00 175.76 175.60 2khc s LEU 502 N -1.65 3.61 0.00 0.00 1.43 -1.26 -4.96 118.68 115.86 2khc s LEU 502 Ca 0.40 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 2khc s LEU 502 Cb -0.19 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.19 2khc s LEU 502 CO 0.23 0.34 0.00 -0.24 0.23 0.00 0.00 176.35 176.91 2khc n SER 503 N 2.39 -0.01 -4.73 2.29 2.88 -1.26 -5.09 113.62 110.10 2khc n SER 503 Ca -0.18 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 56.99 2khc n SER 503 Cb 0.53 0.07 -0.07 0.00 -0.75 0.00 0.00 64.21 64.00 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 -2.00 3.55 -0.07 -1.46 0.00 -1.26 -5.08 121.76 115.43 2khc s ALA 504 Ca 0.00 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 51.67 2khc s ALA 504 Cb 0.00 -2.50 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 2khc s ALA 504 CO 0.00 0.06 -0.24 0.00 0.00 0.00 0.00 175.76 175.58 2khc s ALA 505 N 0.50 2.15 -0.67 0.00 0.00 -1.26 -5.05 121.76 117.43 2khc s ALA 505 Ca 0.21 -1.01 -0.26 0.00 0.00 0.00 0.00 51.96 50.90 2khc s ALA 505 Cb -0.14 -0.72 -0.12 0.00 0.00 0.00 0.00 23.12 22.14 2khc s ALA 505 CO 0.07 0.36 2.42 0.00 0.00 0.00 0.00 175.76 178.61 2khc n ALA 506 N 3.18 0.56 -2.39 0.00 0.00 -1.26 -4.92 120.51 115.68 2khc n ALA 506 Ca -0.18 -1.15 -0.29 0.00 0.00 0.00 0.00 53.44 51.82 2khc n ALA 506 Cb 0.52 -3.21 -0.03 0.00 0.00 0.00 0.00 19.45 16.74 2khc n ALA 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2khc s ALA 507 N 13.16 3.52 0.09 0.00 0.00 -1.26 -5.02 121.76 132.26 2khc s ALA 507 Ca 0.97 -0.42 -0.31 0.00 0.00 0.00 0.00 51.96 52.21 2khc s ALA 507 Cb -0.20 -2.46 -0.10 0.00 0.00 0.00 0.00 23.12 20.37 2khc s ALA 507 CO 0.19 0.14 1.84 0.00 0.00 0.00 0.00 175.76 177.93 2khc s ALA 508 N -2.20 3.71 -1.10 0.00 0.00 -1.26 -4.92 121.76 115.99 2khc s ALA 508 Ca 0.47 1.39 -0.14 0.00 0.00 0.00 0.00 51.96 53.67 2khc s ALA 508 Cb -0.11 -3.78 0.19 0.00 0.00 0.00 0.00 23.12 19.42 2khc s ALA 508 CO 0.30 -1.30 1.26 0.00 0.00 0.00 0.00 175.76 176.02 2khc s ALA 509 N 3.17 4.01 0.88 0.00 0.00 -1.26 -4.99 121.76 123.57 2khc s ALA 509 Ca 0.82 -3.32 -0.10 0.00 0.00 0.00 0.00 51.96 49.36 2khc s ALA 509 Cb -0.44 -3.96 0.15 0.00 0.00 0.00 0.00 23.12 18.87 2khc s ALA 509 CO 0.37 -2.67 0.34 0.00 0.00 0.00 0.00 175.76 173.80 2khc n ALA 510 N 5.16 -2.08 0.00 0.00 0.00 -1.26 -3.93 120.51 118.40 2khc n ALA 510 Ca 0.30 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2khc n ALA 510 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2khc n ALA 510 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2khc n GLY 511 N -0.88 0.00 0.00 0.00 0.00 -1.19 -4.80 105.19 98.33 2khc n GLY 511 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2khc n GLY 511 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2khc n LYS 512 N 0.00 0.54 -1.04 1.61 5.02 -1.25 -4.80 118.16 118.24 2khc n LYS 512 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 2khc n LYS 512 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 2khc n LYS 512 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2khc n GLN 513 N -0.44 0.00 -0.24 1.97 -0.06 -1.13 -4.66 117.38 112.82 2khc n GLN 513 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 54.93 2khc n GLN 513 Cb 0.00 -0.95 0.06 0.00 -4.06 0.00 0.00 30.24 25.29 2khc n GLN 513 CO 0.00 0.00 0.00 0.44 -0.20 0.00 0.00 177.06 177.30 2khc n ILE 514 N -2.04 0.00 -4.07 1.69 -6.64 -1.26 -3.94 119.36 103.10 2khc n ILE 514 Ca 0.01 0.00 -0.22 0.00 -1.77 0.00 0.00 62.75 60.77 2khc n ILE 514 Cb 0.50 -0.22 -0.05 0.00 -1.44 0.00 0.00 39.64 38.44 2khc n ILE 514 CO 0.00 0.00 0.00 -1.83 -1.77 0.00 0.00 176.55 172.95 2khc s GLU 515 N -2.33 2.69 0.00 6.28 1.03 -1.26 -4.25 118.70 120.86 2khc s GLU 515 Ca 0.15 -1.25 0.00 0.00 0.03 0.00 0.00 54.97 53.90 2khc s GLU 515 Cb -0.03 -2.42 0.00 0.00 -0.80 0.00 0.00 34.13 30.89 2khc s GLU 515 CO 0.12 0.28 0.00 0.41 -1.33 0.00 0.00 175.26 174.74 2khc n GLY 516 N -1.17 3.81 3.70 -3.83 0.00 -1.26 -5.10 105.19 101.34 2khc n GLY 516 Ca -0.05 -1.47 -0.61 0.00 0.00 0.00 0.00 46.02 43.89 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 0.61 -2.03 1.61 -0.02 -1.26 -4.77 135.00 129.14 2khc n PRO 517 Ca 0.00 0.22 -0.28 0.00 -2.02 0.00 0.00 63.50 61.43 2khc n PRO 517 Cb 0.00 -1.82 0.07 0.00 -0.02 0.00 0.00 33.50 31.74 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 2.75 2.18 0.00 -0.52 2.02 -1.26 -3.50 118.70 120.37 2khc s GLU 518 Ca 0.99 0.02 0.00 0.00 0.02 0.00 0.00 54.97 56.00 2khc s GLU 518 Cb -1.24 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 30.94 2khc s GLU 518 CO 0.69 -1.37 0.00 0.41 0.02 0.00 0.00 175.26 175.01 2khc n GLY 519 N -3.11 0.37 1.18 -1.39 0.00 -1.26 -4.90 105.19 96.08 2khc n GLY 519 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.18 6.36 -0.01 0.00 0.01 -0.81 -2.19 114.94 115.13 2khc s ASN 521 Ca 0.40 0.27 0.03 0.00 -0.71 0.00 0.00 52.86 52.84 2khc s ASN 521 Cb 0.38 -1.96 -0.00 0.00 0.41 0.00 0.00 41.25 40.08 2khc s ASN 521 CO -0.06 0.07 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.29 2khc s LEU 522 N -3.02 1.94 -0.18 0.60 0.20 -0.68 -1.42 118.68 116.12 2khc s LEU 522 Ca 0.36 -0.16 0.01 0.00 0.69 0.00 0.00 54.13 55.03 2khc s LEU 522 Cb -0.12 -0.47 0.03 0.00 -0.43 0.00 0.00 46.19 45.20 2khc s LEU 522 CO 0.28 0.09 -0.16 0.12 -0.29 0.00 0.00 176.35 176.39 2khc s PHE 523 N -0.08 2.61 0.17 5.38 2.19 -0.88 -2.10 117.98 125.27 2khc s PHE 523 Ca 0.01 -1.59 0.11 0.00 0.33 0.00 0.00 56.93 55.80 2khc s PHE 523 Cb -0.05 -1.79 -0.04 0.00 -1.31 0.00 0.00 43.02 39.83 2khc s PHE 523 CO -0.00 -0.77 -0.24 0.96 1.83 0.00 0.00 175.22 177.00 2khc s ILE 524 N 1.34 2.26 -0.34 3.12 -0.00 -0.91 -2.00 121.20 124.68 2khc s ILE 524 Ca 0.03 -1.93 0.01 0.00 -0.00 0.00 0.00 60.65 58.75 2khc s ILE 524 Cb -0.14 -2.05 0.14 0.00 -0.00 0.00 0.00 42.46 40.41 2khc s ILE 524 CO -0.11 -0.07 0.31 -0.72 -0.00 0.00 0.00 174.94 174.34 2khc s TYR 525 N -1.52 -0.12 0.00 1.37 1.13 -0.91 -1.59 117.35 115.71 2khc s TYR 525 Ca 0.18 -0.79 0.00 0.00 -1.41 0.00 0.00 57.07 55.05 2khc s TYR 525 Cb -0.08 -0.55 0.00 0.00 -1.10 0.00 0.00 41.96 40.23 2khc s TYR 525 CO 0.08 -0.92 0.00 1.58 -2.51 0.00 0.00 175.55 173.78 2khc n HIS 526 N 4.57 0.00 -1.75 -3.49 -0.00 -0.13 -3.89 115.22 110.53 2khc n HIS 526 Ca 0.06 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.92 2khc n HIS 526 Cb 0.44 0.00 0.05 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 -3.39 3.37 0.75 0.27 0.05 0.19 -3.34 118.68 116.58 2khc s LEU 527 Ca 0.00 1.94 -0.06 0.00 0.05 0.00 0.00 54.13 56.06 2khc s LEU 527 Cb 0.00 -4.54 0.10 0.00 -2.05 0.00 0.00 46.19 39.70 2khc s LEU 527 CO 0.00 -1.59 1.06 -2.16 -0.55 0.00 0.00 176.35 173.11 2khc s PRO 528 N -4.20 1.77 0.63 1.48 0.04 -1.26 0.59 135.00 134.05 2khc s PRO 528 Ca 0.66 -0.55 0.27 0.00 0.04 0.00 0.00 61.00 61.42 2khc s PRO 528 Cb -0.19 -2.17 1.44 0.00 0.04 0.00 0.00 34.50 33.62 2khc s PRO 528 CO 0.43 -1.50 1.83 -0.56 0.04 0.00 0.00 177.00 177.24 2khc h GLN 529 N -0.75 0.00 -0.00 4.56 -0.00 -1.87 -0.66 115.11 116.40 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 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 2khc h GLN 529 CO 0.50 0.00 -0.25 0.39 -0.00 0.00 0.00 178.83 179.47 2khc n GLU 530 N -3.19 0.15 -2.68 0.06 -0.58 -1.26 -4.81 120.64 108.33 2khc n GLU 530 Ca 0.03 -0.06 -0.42 0.00 -0.42 0.00 0.00 57.16 56.29 2khc n GLU 530 Cb 0.57 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.91 2khc n GLU 530 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2khc s PHE 531 N -2.89 3.57 0.31 -0.32 2.19 -0.26 -5.03 117.98 115.55 2khc s PHE 531 Ca 0.16 1.62 -0.12 0.00 0.33 0.00 0.00 56.93 58.92 2khc s PHE 531 Cb 0.19 -3.17 -0.08 0.00 -1.31 0.00 0.00 43.02 38.65 2khc s PHE 531 CO 0.60 -0.19 0.68 0.99 1.83 0.00 0.00 175.22 179.13 2khc s THR 532 N 1.53 4.79 0.27 0.12 2.01 -1.26 -4.85 115.64 118.25 2khc s THR 532 Ca 0.51 0.71 0.19 0.00 0.31 0.00 0.00 61.69 63.40 2khc s THR 532 Cb -0.20 -3.64 0.15 0.00 0.01 0.00 0.00 72.50 68.82 2khc s THR 532 CO 0.23 -0.22 1.82 -2.24 -0.69 0.00 0.00 174.62 173.53 2khc h ASP 533 N 2.14 0.00 -0.41 3.53 3.04 -1.85 -3.16 116.42 119.71 2khc h ASP 533 Ca -0.47 0.00 0.11 0.00 -3.24 0.00 0.00 57.03 53.42 2khc h ASP 533 Cb 1.18 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.45 2khc h ASP 533 CO 0.66 0.33 0.29 0.00 -2.04 0.00 0.00 179.24 178.48 2khc h THR 534 N 0.00 0.83 -0.17 1.15 1.03 -1.02 -2.20 112.91 112.52 2khc h THR 534 Ca -0.00 -0.02 -0.01 0.00 -0.01 0.00 0.00 66.41 66.36 2khc h THR 534 Cb 0.73 0.75 -0.01 0.00 -1.07 0.00 0.00 68.15 68.55 2khc h THR 534 CO 0.04 0.01 0.07 -0.78 -0.01 0.00 0.00 175.52 174.86 2khc h ASP 535 N 0.07 0.22 -0.08 0.00 1.82 -1.72 -1.90 116.42 114.82 2khc h ASP 535 Ca 0.19 -0.14 -0.03 0.00 -0.39 0.00 0.00 57.03 56.66 2khc h ASP 535 Cb 0.68 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.63 2khc h ASP 535 CO -0.01 0.30 -0.08 -0.07 -1.61 0.00 0.00 179.24 177.77 2khc h LEU 536 N 0.13 0.21 -1.09 2.28 4.07 -1.70 -2.60 115.31 116.62 2khc h LEU 536 Ca 0.06 -0.48 0.19 0.00 0.08 0.00 0.00 57.88 57.72 2khc h LEU 536 Cb 0.14 -0.06 -0.10 0.00 1.08 0.00 0.00 40.66 41.72 2khc h LEU 536 CO -0.01 0.65 0.61 0.00 -1.08 0.00 0.00 178.44 178.62 2khc h ALA 537 N 0.57 1.75 -0.10 1.53 0.00 -1.40 -1.44 119.26 120.17 2khc h ALA 537 Ca 0.01 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2khc h ALA 537 Cb 0.59 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2khc h ALA 537 CO 0.02 -0.10 -0.12 1.03 0.00 0.00 0.00 179.25 180.08 2khc h SER 538 N 0.73 0.28 -0.03 0.00 0.87 -1.32 -1.38 113.55 112.70 2khc h SER 538 Ca 0.56 -0.50 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2khc h SER 538 Cb 0.91 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.74 2khc h SER 538 CO -0.34 0.72 -0.32 0.00 -0.53 0.00 0.00 176.83 176.37 2khc h THR 539 N -0.16 0.31 0.00 2.23 1.03 -0.87 -1.64 112.91 113.81 2khc h THR 539 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.41 2khc h THR 539 Cb 0.65 0.31 0.00 0.00 -1.07 0.00 0.00 68.15 68.04 2khc h THR 539 CO 0.03 0.00 0.00 0.49 -0.01 0.00 0.00 175.52 176.03 2khc n PHE 540 N -5.41 0.46 -0.51 0.00 3.01 -0.91 -4.33 117.46 109.78 2khc n PHE 540 Ca -0.05 0.15 0.42 0.00 1.01 0.00 0.00 57.45 58.99 2khc n PHE 540 Cb 0.32 -0.75 0.70 0.00 -0.01 0.00 0.00 39.48 39.75 2khc n PHE 540 CO 0.00 0.00 0.00 1.37 1.01 0.00 0.00 176.76 179.14 2khc h LEU 541 N 0.00 0.17 -1.95 4.37 8.10 -0.22 0.64 115.31 126.42 2khc h LEU 541 Ca 0.00 0.11 0.27 0.00 0.11 0.00 0.00 57.88 58.38 2khc h LEU 541 Cb 0.48 0.11 -0.04 0.00 -0.44 0.00 0.00 40.66 40.78 2khc h LEU 541 CO 0.00 -0.17 0.73 -0.65 -4.11 0.00 0.00 178.44 174.23 2khc h PRO 542 N 0.03 0.00 0.83 0.17 0.11 -1.78 -3.11 132.00 128.25 2khc h PRO 542 Ca 0.87 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.94 2khc h PRO 542 Cb 2.93 0.00 0.01 0.00 0.11 0.00 0.00 31.00 34.05 2khc h PRO 542 CO -0.35 0.00 -0.40 0.27 -0.21 0.00 0.00 178.00 177.31 2khc h PHE 543 N 0.00 -1.04 0.00 0.65 -5.15 -0.01 -3.48 116.94 107.91 2khc h PHE 543 Ca 0.45 -0.02 0.00 0.00 -0.20 0.00 0.00 57.97 58.19 2khc h PHE 543 Cb 1.89 0.34 0.00 0.00 0.22 0.00 0.00 35.95 38.40 2khc h PHE 543 CO 0.00 -0.64 0.00 0.41 -2.00 0.00 0.00 178.31 176.08 2khc n GLY 544 N -1.54 5.11 3.74 6.09 0.00 -1.18 -4.38 105.19 113.04 2khc n GLY 544 Ca -0.14 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 2khc n GLY 544 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2khc s ASN 545 N 1.00 6.26 -0.16 1.61 -0.87 -1.07 -4.90 114.94 116.81 2khc s ASN 545 Ca 0.00 0.30 -0.18 0.00 -1.57 0.00 0.00 52.86 51.40 2khc s ASN 545 Cb 0.00 -2.10 -0.04 0.00 -0.02 0.00 0.00 41.25 39.09 2khc s ASN 545 CO 0.00 0.19 0.51 0.68 -2.57 0.00 0.00 177.10 175.91 2khc s VAL 546 N 0.23 5.14 -0.56 1.60 -7.23 -1.26 -2.56 120.40 115.76 2khc s VAL 546 Ca 0.10 0.97 0.04 0.00 -1.81 0.00 0.00 61.98 61.27 2khc s VAL 546 Cb -0.11 -3.84 0.14 0.00 0.56 0.00 0.00 36.38 33.13 2khc s VAL 546 CO -0.00 0.24 0.32 -0.63 -0.31 0.00 0.00 175.10 174.72 2khc s ILE 547 N 1.18 2.73 0.08 -0.62 1.09 -0.76 -2.83 121.20 122.07 2khc s ILE 547 Ca 0.25 -3.49 0.01 0.00 -1.10 0.00 0.00 60.65 56.32 2khc s ILE 547 Cb -0.15 -2.87 -0.04 0.00 -1.06 0.00 0.00 42.46 38.34 2khc s ILE 547 CO 0.10 -0.85 0.21 -0.94 -0.10 0.00 0.00 174.94 173.36 2khc s SER 548 N -0.45 6.28 0.11 3.58 1.04 -1.26 -1.93 113.70 121.07 2khc s SER 548 Ca 0.19 0.23 -0.09 0.00 0.48 0.00 0.00 55.95 56.75 2khc s SER 548 Cb -0.22 -1.91 -0.00 0.00 0.10 0.00 0.00 66.02 64.00 2khc s SER 548 CO -0.03 0.15 0.23 0.00 0.98 0.00 0.00 173.24 174.56 2khc s ALA 549 N -1.54 -0.20 0.05 5.32 0.00 -0.86 -3.18 121.76 121.35 2khc s ALA 549 Ca 0.34 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.68 2khc s ALA 549 Cb -0.13 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 2khc s ALA 549 CO 0.28 -0.55 -0.12 -1.59 0.00 0.00 0.00 175.76 173.77 2khc s LYS 550 N -3.89 0.74 -0.27 0.00 -2.85 -1.26 -2.07 119.74 110.13 2khc s LYS 550 Ca 0.08 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.25 2khc s LYS 550 Cb 0.04 -0.67 0.08 0.00 -2.06 0.00 0.00 37.83 35.22 2khc s LYS 550 CO -0.08 0.15 0.02 0.54 0.10 0.00 0.00 175.35 176.08 2khc s VAL 551 N -1.14 1.36 -0.13 1.79 0.11 -0.71 -4.88 120.40 116.80 2khc s VAL 551 Ca -0.03 -1.39 -0.24 0.00 -2.93 0.00 0.00 61.98 57.39 2khc s VAL 551 Cb -0.09 -1.82 -0.02 0.00 -1.53 0.00 0.00 36.38 32.91 2khc s VAL 551 CO 0.01 -0.36 0.75 0.72 -3.33 0.00 0.00 175.10 172.89 2khc s PHE 552 N 1.43 3.48 -0.02 1.54 -0.12 -1.26 -2.16 117.98 120.86 2khc s PHE 552 Ca 0.02 1.20 0.04 0.00 -0.05 0.00 0.00 56.93 58.14 2khc s PHE 552 Cb -0.18 -2.90 -0.01 0.00 -0.63 0.00 0.00 43.02 39.30 2khc s PHE 552 CO -0.12 -0.10 -0.14 0.42 -0.05 0.00 0.00 175.22 175.23 2khc s ILE 553 N 1.58 1.12 -0.12 -4.49 1.01 -1.26 -4.91 121.20 114.13 2khc s ILE 553 Ca 0.37 -0.58 -0.23 0.00 0.00 0.00 0.00 60.65 60.20 2khc s ILE 553 Cb -0.17 -0.95 0.06 0.00 0.01 0.00 0.00 42.46 41.41 2khc s ILE 553 CO 0.15 0.32 0.57 1.51 0.00 0.00 0.00 174.94 177.49 2khc s ASP 554 N -0.17 -0.56 0.07 3.58 1.47 -1.24 -3.98 116.67 115.83 2khc s ASP 554 Ca 0.02 0.81 -0.19 0.00 1.18 0.00 0.00 52.55 54.38 2khc s ASP 554 Cb -0.07 0.80 -0.07 0.00 -0.34 0.00 0.00 42.92 43.23 2khc s ASP 554 CO 0.00 -0.40 1.31 0.07 0.68 0.00 0.00 175.17 176.83 2khc h LYS 555 N 4.13 -0.30 0.00 2.11 5.09 -1.76 -3.40 116.57 122.45 2khc h LYS 555 Ca -0.28 0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.48 2khc h LYS 555 Cb 1.16 0.07 0.00 0.00 0.10 0.00 0.00 32.23 33.56 2khc h LYS 555 CO 0.28 -0.20 0.00 0.94 -2.09 0.00 0.00 179.45 178.38 2khc n GLN 556 N -4.19 0.00 0.00 0.07 -0.06 -1.26 -4.96 117.38 106.98 2khc n GLN 556 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.97 2khc n GLN 556 Cb 0.21 -0.25 0.00 0.00 -4.06 0.00 0.00 30.24 26.14 2khc n GLN 556 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 2khc n THR 557 N -2.01 0.00 0.05 1.69 -1.04 -1.26 -4.87 114.28 106.84 2khc n THR 557 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 2khc n THR 557 Cb 0.00 -0.18 0.25 0.00 -1.82 0.00 0.00 70.33 68.57 2khc n THR 557 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2khc n SER 558 N -1.82 3.60 -1.06 8.00 7.64 -1.26 -4.68 113.62 124.03 2khc n SER 558 Ca 0.00 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.89 2khc n SER 558 Cb 0.08 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 2khc n SER 558 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2khc n LEU 559 N 1.50 0.00 -1.16 -3.43 4.32 -1.26 -4.94 117.00 112.03 2khc n LEU 559 Ca 0.21 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 56.09 2khc n LEU 559 Cb 0.60 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.41 2khc n LEU 559 CO 0.16 0.00 -0.42 -1.20 -1.22 0.00 0.00 177.39 174.70 2khc n SER 560 N 0.00 -1.63 -3.01 -1.43 7.64 -1.26 -4.37 113.62 109.55 2khc n SER 560 Ca 0.00 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2khc n SER 560 Cb 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2khc n SER 560 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2khc n LYS 561 N 0.73 -1.13 -0.98 1.43 2.85 -1.26 -3.70 118.16 116.10 2khc n LYS 561 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 2khc n LYS 561 Cb 0.17 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.55 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 -8.29 0.95 0.19 0.00 -0.12 -0.92 0.55 117.98 110.34 2khc s PHE 563 Ca 0.00 -0.97 0.09 0.00 -0.05 0.00 0.00 56.93 56.01 2khc s PHE 563 Cb 0.00 -0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 41.80 2khc s PHE 563 CO 0.00 -0.20 -0.18 0.20 -0.05 0.00 0.00 175.22 174.99 2khc s GLY 564 N -3.07 1.49 -0.11 1.99 0.00 -0.62 -1.73 107.32 105.27 2khc s GLY 564 Ca 0.15 -1.58 0.02 0.00 0.00 0.00 0.00 44.72 43.31 2khc s GLY 564 CO -0.02 -1.64 -0.16 -1.36 0.00 0.00 0.00 173.10 169.92 2khc s PHE 565 N -2.22 2.73 -0.17 1.90 0.40 -0.88 -2.13 117.98 117.60 2khc s PHE 565 Ca 0.19 -0.62 -0.03 0.00 -0.60 0.00 0.00 56.93 55.87 2khc s PHE 565 Cb -0.05 -1.77 0.06 0.00 0.51 0.00 0.00 43.02 41.77 2khc s PHE 565 CO 0.08 -0.17 0.04 0.08 0.70 0.00 0.00 175.22 175.95 2khc s VAL 566 N 0.12 0.36 -0.33 -0.44 1.01 -0.89 -2.03 120.40 118.19 2khc s VAL 566 Ca -0.08 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 2khc s VAL 566 Cb -0.15 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 2khc s VAL 566 CO 0.05 -0.16 0.20 -0.55 0.00 0.00 0.00 175.10 174.64 2khc s SER 567 N 1.94 5.79 -0.20 3.32 0.15 -0.81 -1.69 113.70 122.20 2khc s SER 567 Ca 0.01 -0.53 -0.08 0.00 0.70 0.00 0.00 55.95 56.04 2khc s SER 567 Cb -0.16 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 2khc s SER 567 CO -0.08 -0.23 0.09 -0.36 1.20 0.00 0.00 173.24 173.86 2khc s PHE 568 N 1.66 3.30 -0.58 3.44 0.08 -0.93 -1.83 117.98 123.11 2khc s PHE 568 Ca 0.05 0.14 0.02 0.00 0.12 0.00 0.00 56.93 57.26 2khc s PHE 568 Cb -0.17 -2.13 0.15 0.00 -0.57 0.00 0.00 43.02 40.29 2khc s PHE 568 CO 0.08 0.16 0.35 -0.51 -0.10 0.00 0.00 175.22 175.20 2khc s ASP 569 N 0.50 4.70 0.00 1.36 1.01 -1.06 -2.14 116.67 121.04 2khc s ASP 569 Ca 0.05 -3.04 0.00 0.00 0.71 0.00 0.00 52.55 50.27 2khc s ASP 569 Cb -0.12 -1.72 0.00 0.00 1.01 0.00 0.00 42.92 42.09 2khc s ASP 569 CO 0.00 -0.26 0.00 -0.46 0.21 0.00 0.00 175.17 174.66 2khc n ASN 570 N 3.13 0.00 -3.85 0.27 0.23 -1.23 -2.60 115.26 111.21 2khc n ASN 570 Ca 0.07 -0.87 -0.30 0.00 -0.53 0.00 0.00 54.58 52.96 2khc n ASN 570 Cb 0.34 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.27 2khc n ASN 570 CO 0.00 0.00 0.00 -2.84 -0.93 0.00 0.00 177.26 173.49 2khc s PRO 571 N -1.60 -0.72 0.66 -0.53 0.02 -1.26 -4.63 135.00 126.93 2khc s PRO 571 Ca 0.00 -0.23 0.22 0.00 0.02 0.00 0.00 61.00 61.01 2khc s PRO 571 Cb 0.00 -1.67 1.20 0.00 0.02 0.00 0.00 34.50 34.04 2khc s PRO 571 CO 0.00 -3.35 1.67 0.38 -0.33 0.00 0.00 177.00 175.37 2khc h ASP 572 N -2.32 0.00 -1.06 2.53 2.03 -1.96 -1.79 116.42 113.85 2khc h ASP 572 Ca -0.44 0.00 0.30 0.00 -0.73 0.00 0.00 57.03 56.16 2khc h ASP 572 Cb 1.27 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.72 2khc h ASP 572 CO 0.33 0.00 0.76 -1.28 -1.03 0.00 0.00 179.24 178.02 2khc h SER 573 N 0.00 0.03 -0.21 4.15 0.87 -1.91 2.19 113.55 118.68 2khc h SER 573 Ca 0.03 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 2khc h SER 573 Cb 1.11 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 2khc h SER 573 CO -0.00 0.01 -0.15 0.00 -0.53 0.00 0.00 176.83 176.15 2khc h ALA 574 N 1.48 1.09 -0.80 6.23 0.00 -1.61 -1.85 119.26 123.81 2khc h ALA 574 Ca 0.51 -0.31 0.15 0.00 0.00 0.00 0.00 54.91 55.26 2khc h ALA 574 Cb 1.99 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 19.53 2khc h ALA 574 CO -0.03 0.56 0.35 1.96 0.00 0.00 0.00 179.25 182.09 2khc h GLN 575 N 0.56 0.47 -0.56 0.00 4.20 0.34 0.23 115.11 120.36 2khc h GLN 575 Ca 0.09 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 2khc h GLN 575 Cb 0.59 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 2khc h GLN 575 CO 0.04 0.31 0.28 0.28 -0.67 0.00 0.00 178.83 179.07 2khc h VAL 576 N 0.49 1.20 -0.87 -0.54 2.07 -1.14 -2.36 116.25 115.10 2khc h VAL 576 Ca 0.45 -0.55 0.13 0.00 0.82 0.00 0.00 66.70 67.54 2khc h VAL 576 Cb 0.69 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 2khc h VAL 576 CO -0.41 0.23 0.47 0.00 0.02 0.00 0.00 177.57 177.88 2khc h ALA 577 N 1.11 1.30 0.13 1.67 0.00 -0.04 -2.02 119.26 121.40 2khc h ALA 577 Ca 0.19 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2khc h ALA 577 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2khc h ALA 577 CO -0.03 -0.01 -0.06 0.82 0.00 0.00 0.00 179.25 179.97 2khc h ILE 578 N 0.71 0.76 0.00 0.00 2.04 -1.07 -2.99 117.51 116.97 2khc h ILE 578 Ca 0.46 -1.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 2khc h ILE 578 Cb 0.58 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 2khc h ILE 578 CO -0.32 0.22 -0.19 0.11 0.00 0.00 0.00 178.15 177.97 2khc h LYS 579 N -0.93 0.00 -0.04 2.37 6.56 -1.44 -2.88 116.57 120.21 2khc h LYS 579 Ca -0.02 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.34 2khc h LYS 579 Cb 0.49 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.16 2khc h LYS 579 CO 0.03 0.19 -0.91 0.00 -2.06 0.00 0.00 179.45 176.70 2khc h ALA 580 N 1.81 0.33 -3.33 3.86 0.00 -1.48 -3.45 119.26 117.00 2khc h ALA 580 Ca -0.00 -0.67 -0.45 0.00 0.00 0.00 0.00 54.91 53.79 2khc h ALA 580 Cb 0.43 -0.00 -0.36 0.00 0.00 0.00 0.00 17.79 17.85 2khc h ALA 580 CO 0.02 0.75 -0.78 1.41 0.00 0.00 0.00 179.25 180.66 2khc s MET 581 N -3.42 0.92 0.93 0.00 -2.45 -1.09 -5.10 119.30 109.09 2khc s MET 581 Ca -0.08 -0.07 -0.11 0.00 -1.25 0.00 0.00 55.69 54.19 2khc s MET 581 Cb 0.09 -1.06 0.15 0.00 1.25 0.00 0.00 34.83 35.25 2khc s MET 581 CO 0.88 -0.20 1.10 0.54 1.05 0.00 0.00 175.02 178.40 2khc s ASN 582 N 1.46 3.03 0.00 1.11 4.22 -1.26 -4.75 114.94 118.75 2khc s ASN 582 Ca -0.02 1.82 0.01 0.00 -2.14 0.00 0.00 52.86 52.53 2khc s ASN 582 Cb -0.13 -2.41 -0.00 0.00 1.28 0.00 0.00 41.25 39.98 2khc s ASN 582 CO -0.03 -2.97 0.29 0.61 -2.04 0.00 0.00 177.10 172.96 2khc n GLY 583 N -0.31 -0.23 2.84 0.45 0.00 -1.26 -4.96 105.19 101.72 2khc n GLY 583 Ca 0.08 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.61 1.75 -0.36 1.61 5.36 -1.26 -4.83 117.98 119.65 2khc s PHE 584 Ca 0.01 -1.34 -0.12 0.00 -0.96 0.00 0.00 56.93 54.51 2khc s PHE 584 Cb 0.01 -1.33 0.01 0.00 -0.34 0.00 0.00 43.02 41.37 2khc s PHE 584 CO 0.03 -0.70 0.22 -1.14 -1.46 0.00 0.00 175.22 172.17 2khc s GLN 585 N 1.61 3.12 0.18 10.12 2.00 -1.26 -1.68 119.66 133.76 2khc s GLN 585 Ca -0.03 -0.89 0.09 0.00 -2.00 0.00 0.00 55.36 52.53 2khc s GLN 585 Cb -0.18 -3.77 -0.04 0.00 0.80 0.00 0.00 33.01 29.82 2khc s GLN 585 CO -0.07 -0.59 -0.19 0.08 -0.50 0.00 0.00 175.29 174.02 2khc s VAL 586 N 1.63 1.90 0.49 1.34 1.01 -0.89 -4.97 120.40 120.91 2khc s VAL 586 Ca 0.04 -1.99 0.37 0.00 0.00 0.00 0.00 61.98 60.41 2khc s VAL 586 Cb -0.18 -1.92 0.57 0.00 0.00 0.00 0.00 36.38 34.86 2khc s VAL 586 CO 0.08 -0.33 1.63 1.23 0.00 0.00 0.00 175.10 177.71 2khc h GLY 587 N 3.12 0.76 -5.91 4.51 0.00 -2.07 -2.35 103.07 101.13 2khc h GLY 587 Ca -0.42 -0.07 -0.41 0.00 0.00 0.00 0.00 47.33 46.44 2khc h GLY 587 CO 0.52 -0.23 -0.77 -0.51 0.00 0.00 0.00 176.54 175.56 2khc s THR 588 N -5.13 -0.23 -0.30 4.70 -4.23 -1.26 -5.07 115.64 104.13 2khc s THR 588 Ca -0.07 -1.80 -0.08 0.00 -1.18 0.00 0.00 61.69 58.56 2khc s THR 588 Cb 0.28 -0.73 0.18 0.00 1.34 0.00 0.00 72.50 73.57 2khc s THR 588 CO 0.84 -0.71 0.85 -0.75 -0.54 0.00 0.00 174.62 174.31 2khc s LYS 589 N 0.57 0.37 -0.12 3.99 2.20 -0.89 -5.15 119.74 120.71 2khc s LYS 589 Ca 0.29 0.69 0.00 0.00 -0.36 0.00 0.00 55.97 56.59 2khc s LYS 589 Cb -0.01 0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 36.68 2khc s LYS 589 CO -0.12 -0.36 -0.13 0.50 -0.36 0.00 0.00 175.35 174.88 2khc s ARG 590 N 2.87 3.32 0.31 4.03 3.52 -1.25 -2.10 118.95 129.66 2khc s ARG 590 Ca 0.08 -0.69 -0.27 0.00 -0.13 0.00 0.00 55.73 54.72 2khc s ARG 590 Cb -0.12 -2.61 -0.10 0.00 -1.56 0.00 0.00 34.95 30.56 2khc s ARG 590 CO -0.16 0.25 0.96 -1.17 -0.81 0.00 0.00 175.30 174.36 2khc s LEU 591 N 0.27 4.39 -0.46 -0.88 2.96 -0.67 -4.84 118.68 119.45 2khc s LEU 591 Ca -0.09 1.88 -0.25 0.00 -0.22 0.00 0.00 54.13 55.45 2khc s LEU 591 Cb -0.16 -3.94 0.03 0.00 0.50 0.00 0.00 46.19 42.62 2khc s LEU 591 CO 0.05 -0.06 0.90 -0.54 -1.32 0.00 0.00 176.35 175.39 2khc s LYS 592 N -1.91 3.52 -0.52 1.98 3.01 -1.25 -4.36 119.74 120.21 2khc s LYS 592 Ca 0.49 0.13 -0.20 0.00 -1.01 0.00 0.00 55.97 55.38 2khc s LYS 592 Cb -0.21 -3.93 0.06 0.00 -1.01 0.00 0.00 37.83 32.75 2khc s LYS 592 CO 0.26 -1.20 0.69 0.54 0.51 0.00 0.00 175.35 176.15 2khc s VAL 593 N 3.68 4.77 -0.19 3.17 0.11 -1.26 -2.15 120.40 128.53 2khc s VAL 593 Ca 0.36 -0.34 -0.13 0.00 -2.93 0.00 0.00 61.98 58.94 2khc s VAL 593 Cb -0.10 -4.35 -0.05 0.00 -1.53 0.00 0.00 36.38 30.35 2khc s VAL 593 CO 0.26 -0.88 0.26 -1.10 -3.33 0.00 0.00 175.10 170.31 2khc s GLN 594 N 2.91 4.21 -0.12 1.54 -1.52 -0.84 -4.96 119.66 120.86 2khc s GLN 594 Ca 0.18 -0.00 -0.07 0.00 -1.95 0.00 0.00 55.36 53.52 2khc s GLN 594 Cb -0.18 -3.46 -0.04 0.00 -0.22 0.00 0.00 33.01 29.11 2khc s GLN 594 CO 0.13 0.18 0.15 -1.17 -0.25 0.00 0.00 175.29 174.33 2khc s LEU 595 N 0.68 4.39 -0.37 2.90 2.96 -1.26 -2.07 118.68 125.90 2khc s LEU 595 Ca 0.14 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 2khc s LEU 595 Cb -0.13 -2.08 0.15 0.00 0.50 0.00 0.00 46.19 44.63 2khc s LEU 595 CO 0.03 0.40 0.33 -1.59 -1.32 0.00 0.00 176.35 174.21 2khc s LYS 596 N -0.98 0.62 0.00 1.98 -2.85 -0.50 -5.00 119.74 113.01 2khc s LYS 596 Ca 0.15 -1.01 0.24 0.00 -1.00 0.00 0.00 55.97 54.35 2khc s LYS 596 Cb -0.12 -0.88 0.28 0.00 -2.06 0.00 0.00 37.83 35.05 2khc s LYS 596 CO 0.04 -1.21 1.31 0.36 0.10 0.00 0.00 175.35 175.96