#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 3.27 0.00 0.00 0.00 -1.26 -4.90 120.51 117.62 2khc n ALA 481 Ca 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.47 2khc n ALA 481 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.42 1.69 3.06 0.00 0.00 -1.26 -5.14 105.19 103.12 2khc n GLY 482 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 1.98 0.25 0.99 1.02 -1.26 -5.16 118.68 116.51 2khc s LEU 483 Ca 0.00 -0.21 0.03 0.00 0.02 0.00 0.00 54.13 53.97 2khc s LEU 483 Cb 0.00 -0.61 -0.03 0.00 0.02 0.00 0.00 46.19 45.57 2khc s LEU 483 CO 0.00 0.13 0.40 -2.16 0.02 0.00 0.00 176.35 174.74 2khc s PRO 484 N -0.20 3.45 -0.24 1.29 0.04 -1.26 -4.97 135.00 133.12 2khc s PRO 484 Ca 0.03 -0.63 -0.08 0.00 0.04 0.00 0.00 61.00 60.36 2khc s PRO 484 Cb -0.05 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 2khc s PRO 484 CO -0.00 0.38 0.09 1.14 0.04 0.00 0.00 177.00 178.64 2khc s GLN 485 N -3.94 3.78 0.61 4.56 -2.07 -1.26 -5.09 119.66 116.25 2khc s GLN 485 Ca 0.36 -0.42 -0.17 0.00 -1.82 0.00 0.00 55.36 53.30 2khc s GLN 485 Cb -0.09 -3.36 -0.03 0.00 -1.09 0.00 0.00 33.01 28.44 2khc s GLN 485 CO 0.30 -0.08 1.14 -0.59 -1.32 0.00 0.00 175.29 174.75 2khc s PHE 486 N 1.35 2.54 0.00 9.60 -0.12 -1.26 -4.29 117.98 125.81 2khc s PHE 486 Ca 0.05 1.55 0.00 0.00 -0.05 0.00 0.00 56.93 58.48 2khc s PHE 486 Cb -0.15 -3.30 0.00 0.00 -0.63 0.00 0.00 43.02 38.94 2khc s PHE 486 CO 0.04 -1.83 0.00 0.41 -0.05 0.00 0.00 175.22 173.79 2khc n GLY 487 N 0.02 1.30 3.76 1.99 0.00 -1.26 -5.11 105.19 105.89 2khc n GLY 487 Ca 0.12 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2khc n GLY 487 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2khc s SER 488 N -0.40 6.34 0.16 1.61 0.01 -1.26 -5.07 113.70 115.09 2khc s SER 488 Ca 0.00 0.40 -0.30 0.00 1.31 0.00 0.00 55.95 57.36 2khc s SER 488 Cb 0.00 -2.12 -0.08 0.00 0.21 0.00 0.00 66.02 64.03 2khc s SER 488 CO 0.00 0.21 1.19 0.00 0.41 0.00 0.00 173.24 175.05 2khc s ALA 489 N 0.04 3.42 0.30 1.44 0.00 -1.26 -5.04 121.76 120.66 2khc s ALA 489 Ca 0.13 0.92 0.01 0.00 0.00 0.00 0.00 51.96 53.02 2khc s ALA 489 Cb -0.12 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.61 2khc s ALA 489 CO 0.02 -0.36 0.21 0.43 0.00 0.00 0.00 175.76 176.05 2khc n SER 490 N 2.76 0.40 -4.70 0.00 7.64 -1.26 -5.04 113.62 113.41 2khc n SER 490 Ca 0.05 -1.31 -0.42 0.00 1.01 0.00 0.00 58.87 58.20 2khc n SER 490 Cb 0.45 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 2khc n SER 490 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2khc s ALA 491 N -2.51 3.54 -0.09 -0.43 0.00 -1.26 -5.02 121.76 115.99 2khc s ALA 491 Ca 0.15 0.95 0.02 0.00 0.00 0.00 0.00 51.96 53.08 2khc s ALA 491 Cb -0.01 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 2khc s ALA 491 CO 0.09 -0.70 -0.16 -0.51 0.00 0.00 0.00 175.76 174.49 2khc s LEU 492 N 1.64 2.60 -0.20 0.00 1.02 -1.26 -5.09 118.68 117.39 2khc s LEU 492 Ca 0.63 -0.31 -0.29 0.00 0.02 0.00 0.00 54.13 54.18 2khc s LEU 492 Cb -0.33 -1.54 -0.01 0.00 0.02 0.00 0.00 46.19 44.33 2khc s LEU 492 CO 0.28 0.25 1.26 -0.44 0.02 0.00 0.00 176.35 177.72 2khc s SER 493 N -0.16 6.89 0.20 2.29 0.01 -1.26 -5.02 113.70 116.65 2khc s SER 493 Ca -0.01 1.57 0.05 0.00 1.31 0.00 0.00 55.95 58.87 2khc s SER 493 Cb -0.14 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 2khc s SER 493 CO 0.03 -0.83 0.23 0.42 0.41 0.00 0.00 173.24 173.50 2khc s THR 494 N 3.68 4.79 -0.00 1.44 -4.23 -1.26 -5.12 115.64 114.94 2khc s THR 494 Ca 0.55 -1.09 -0.02 0.00 -1.18 0.00 0.00 61.69 59.95 2khc s THR 494 Cb -0.20 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 2khc s THR 494 CO 0.16 -0.22 0.15 -0.44 -0.54 0.00 0.00 174.62 173.72 2khc s SER 495 N -3.53 6.11 0.04 3.99 0.01 -1.26 -5.04 113.70 114.02 2khc s SER 495 Ca 0.33 0.27 -0.29 0.00 1.31 0.00 0.00 55.95 57.57 2khc s SER 495 Cb -0.09 -1.86 -0.17 0.00 0.21 0.00 0.00 66.02 64.10 2khc s SER 495 CO 0.26 0.26 1.40 1.55 0.41 0.00 0.00 173.24 177.12 2khc h PRO 496 N 3.88 -0.70 0.00 12.44 0.13 -2.06 -3.49 132.00 142.19 2khc h PRO 496 Ca -0.49 0.05 0.15 0.00 -0.87 0.00 0.00 66.00 64.84 2khc h PRO 496 Cb 1.18 0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.44 2khc h PRO 496 CO 0.67 -0.40 0.37 1.28 -0.23 0.00 0.00 178.00 179.68 2khc n LEU 497 N -5.34 0.00 -3.72 1.56 4.32 -1.26 -5.16 117.00 107.40 2khc n LEU 497 Ca -0.12 -0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.71 2khc n LEU 497 Cb 0.32 0.54 -0.16 0.00 -1.62 0.00 0.00 43.42 42.50 2khc n LEU 497 CO 0.34 -0.00 -0.29 0.00 -1.22 0.00 0.00 177.39 176.21 2khc s ALA 498 N -1.36 -0.02 -0.00 -1.18 0.00 -1.26 -5.12 121.76 112.82 2khc s ALA 498 Ca 0.12 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 2khc s ALA 498 Cb -0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 23.12 22.56 2khc s ALA 498 CO -0.01 -0.28 1.84 0.45 0.00 0.00 0.00 175.76 177.76 2khc s SER 499 N 1.55 6.53 -0.02 0.00 0.15 -1.26 -4.98 113.70 115.67 2khc s SER 499 Ca -0.04 2.48 0.01 0.00 0.70 0.00 0.00 55.95 59.10 2khc s SER 499 Cb -0.12 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.67 2khc s SER 499 CO -0.04 -1.01 -0.02 0.68 1.20 0.00 0.00 173.24 174.04 2khc s VAL 500 N 4.32 0.28 0.52 4.45 -7.23 -1.26 -5.15 120.40 116.33 2khc s VAL 500 Ca 0.82 -0.06 -0.10 0.00 -1.81 0.00 0.00 61.98 60.83 2khc s VAL 500 Cb -0.39 -0.30 -0.05 0.00 0.56 0.00 0.00 36.38 36.21 2khc s VAL 500 CO 0.36 0.12 0.90 0.00 -0.31 0.00 0.00 175.10 176.18 2khc s ALA 501 N 0.46 3.23 0.26 1.32 0.00 -1.26 -5.07 121.76 120.71 2khc s ALA 501 Ca -0.05 -0.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.60 2khc s ALA 501 Cb -0.08 -2.87 -0.08 0.00 0.00 0.00 0.00 23.12 20.09 2khc s ALA 501 CO -0.01 -0.39 0.63 -0.51 0.00 0.00 0.00 175.76 175.49 2khc s LEU 502 N -4.61 4.14 0.00 0.00 1.02 -1.26 -5.00 118.68 112.97 2khc s LEU 502 Ca 0.53 1.10 0.00 0.00 0.02 0.00 0.00 54.13 55.78 2khc s LEU 502 Cb -0.10 -3.82 0.00 0.00 0.02 0.00 0.00 46.19 42.29 2khc s LEU 502 CO 0.43 -0.11 0.00 -0.24 0.02 0.00 0.00 176.35 176.45 2khc n SER 503 N -0.14 1.32 -4.72 2.29 2.88 -1.26 -5.02 113.62 108.98 2khc n SER 503 Ca 0.01 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.14 2khc n SER 503 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 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 3.24 -0.40 -1.46 0.00 -1.26 -5.02 121.76 114.87 2khc s ALA 504 Ca 0.00 0.37 -0.24 0.00 0.00 0.00 0.00 51.96 52.09 2khc s ALA 504 Cb 0.00 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.97 2khc s ALA 504 CO 0.00 -0.16 0.85 0.00 0.00 0.00 0.00 175.76 176.45 2khc s ALA 505 N 0.83 3.36 0.16 0.00 0.00 -1.26 -5.03 121.76 119.83 2khc s ALA 505 Ca 0.45 -0.69 -0.30 0.00 0.00 0.00 0.00 51.96 51.42 2khc s ALA 505 Cb -0.20 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.37 2khc s ALA 505 CO 0.24 -1.70 1.06 0.00 0.00 0.00 0.00 175.76 175.36 2khc s ALA 506 N 3.35 3.33 -0.60 0.00 0.00 -1.26 -4.94 121.76 121.65 2khc s ALA 506 Ca 0.34 0.74 -0.26 0.00 0.00 0.00 0.00 51.96 52.78 2khc s ALA 506 Cb -0.12 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2khc s ALA 506 CO 0.20 -0.14 2.08 0.00 0.00 0.00 0.00 175.76 177.90 2khc s ALA 507 N -0.19 1.88 0.98 0.00 0.00 -1.26 -4.95 121.76 118.22 2khc s ALA 507 Ca 0.48 -0.48 -0.11 0.00 0.00 0.00 0.00 51.96 51.86 2khc s ALA 507 Cb -0.28 -4.35 0.18 0.00 0.00 0.00 0.00 23.12 18.68 2khc s ALA 507 CO 0.33 -4.25 1.12 0.00 0.00 0.00 0.00 175.76 172.97 2khc s ALA 508 N 10.50 0.97 -0.20 0.00 0.00 -1.26 -5.00 121.76 126.77 2khc s ALA 508 Ca 0.79 0.45 -0.10 0.00 0.00 0.00 0.00 51.96 53.10 2khc s ALA 508 Cb -0.14 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2khc s ALA 508 CO 0.21 -3.07 0.12 0.00 0.00 0.00 0.00 175.76 173.02 2khc s ALA 509 N -2.59 3.62 -0.85 0.00 0.00 -1.26 -5.02 121.76 115.66 2khc s ALA 509 Ca 0.67 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 51.66 2khc s ALA 509 Cb -0.24 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 2khc s ALA 509 CO 0.60 0.11 1.81 0.00 0.00 0.00 0.00 175.76 178.28 2khc s ALA 510 N 0.46 2.00 0.27 0.00 0.00 -1.26 -4.67 121.76 118.55 2khc s ALA 510 Ca 0.07 -1.44 0.19 0.00 0.00 0.00 0.00 51.96 50.78 2khc s ALA 510 Cb -0.12 -4.48 0.91 0.00 0.00 0.00 0.00 23.12 19.44 2khc s ALA 510 CO -0.01 -4.34 0.97 0.41 0.00 0.00 0.00 175.76 172.79 2khc n GLY 511 N 6.53 -0.51 0.00 0.00 0.00 0.42 -4.65 105.19 106.99 2khc n GLY 511 Ca 0.33 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 -3.98 0.00 -0.30 1.61 5.02 -1.23 -4.42 118.16 114.85 2khc n LYS 512 Ca 0.25 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.52 2khc n LYS 512 Cb 0.95 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.98 2khc n LYS 512 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2khc n GLN 513 N 0.00 1.27 -0.84 1.97 10.64 -0.68 -4.67 117.38 125.07 2khc n GLN 513 Ca 0.00 -0.09 -0.23 0.00 -1.83 0.00 0.00 57.00 54.84 2khc n GLN 513 Cb 0.00 -0.51 0.20 0.00 -0.86 0.00 0.00 30.24 29.07 2khc n GLN 513 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 2khc n ILE 514 N -2.70 0.00 -3.39 -0.39 -6.64 -1.26 -4.18 119.36 100.79 2khc n ILE 514 Ca 0.01 -0.39 -0.26 0.00 -1.77 0.00 0.00 62.75 60.33 2khc n ILE 514 Cb 0.04 -1.20 -0.02 0.00 -1.44 0.00 0.00 39.64 37.01 2khc n ILE 514 CO 0.00 0.00 0.00 -1.61 -1.77 0.00 0.00 176.55 173.17 2khc s GLU 515 N -4.96 3.55 0.00 6.28 2.02 -1.26 -3.89 118.70 120.44 2khc s GLU 515 Ca 0.56 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.36 2khc s GLU 515 Cb -0.05 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.50 2khc s GLU 515 CO 0.43 0.20 0.00 0.41 0.02 0.00 0.00 175.26 176.32 2khc n GLY 516 N -1.30 3.74 3.68 -1.39 0.00 -1.26 -5.05 105.19 103.61 2khc n GLY 516 Ca -0.03 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 2khc n GLY 516 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2khc s PRO 517 N -1.44 4.14 1.17 1.61 0.02 -1.26 -4.77 135.00 134.47 2khc s PRO 517 Ca 0.00 2.58 -0.14 0.00 0.02 0.00 0.00 61.00 63.47 2khc s PRO 517 Cb 0.00 -3.84 0.28 0.00 0.02 0.00 0.00 34.50 30.96 2khc s PRO 517 CO 0.00 -0.89 1.03 -1.21 -0.33 0.00 0.00 177.00 175.60 2khc s GLU 518 N 3.49 -0.98 0.00 5.54 2.02 -1.26 -3.89 118.70 123.62 2khc s GLU 518 Ca 0.84 0.66 0.00 0.00 0.02 0.00 0.00 54.97 56.48 2khc s GLU 518 Cb -0.44 -1.56 0.00 0.00 0.10 0.00 0.00 34.13 32.23 2khc s GLU 518 CO 0.38 -3.72 0.00 0.41 0.02 0.00 0.00 175.26 172.35 2khc n GLY 519 N 0.47 1.80 1.84 -1.39 0.00 -1.26 -4.84 105.19 101.81 2khc n GLY 519 Ca 0.04 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.35 6.37 0.16 0.00 2.47 -0.80 -2.41 114.94 120.37 2khc s ASN 521 Ca 0.36 0.43 0.10 0.00 0.42 0.00 0.00 52.86 54.17 2khc s ASN 521 Cb 0.30 -2.18 -0.04 0.00 -1.45 0.00 0.00 41.25 37.88 2khc s ASN 521 CO 0.04 0.04 -0.23 -0.22 -3.72 0.00 0.00 177.10 173.01 2khc s LEU 522 N 0.82 2.39 -0.08 3.21 2.96 -0.66 -1.59 118.68 125.74 2khc s LEU 522 Ca 0.15 -0.81 -0.01 0.00 -0.22 0.00 0.00 54.13 53.25 2khc s LEU 522 Cb -0.13 -1.07 0.03 0.00 0.50 0.00 0.00 46.19 45.51 2khc s LEU 522 CO 0.05 0.09 -0.03 0.12 -1.32 0.00 0.00 176.35 175.26 2khc s PHE 523 N -1.53 0.92 0.00 5.38 2.19 -0.84 -2.12 117.98 121.98 2khc s PHE 523 Ca 0.16 -0.34 0.07 0.00 0.33 0.00 0.00 56.93 57.15 2khc s PHE 523 Cb -0.08 -0.90 -0.02 0.00 -1.31 0.00 0.00 43.02 40.71 2khc s PHE 523 CO 0.07 -0.35 -0.20 0.96 1.83 0.00 0.00 175.22 177.53 2khc s ILE 524 N 1.69 1.61 -0.49 3.12 -0.00 -0.95 -2.06 121.20 124.13 2khc s ILE 524 Ca 0.02 -0.95 0.03 0.00 -0.00 0.00 0.00 60.65 59.75 2khc s ILE 524 Cb -0.13 -1.36 0.13 0.00 -0.00 0.00 0.00 42.46 41.11 2khc s ILE 524 CO -0.05 0.38 0.25 -0.31 -0.00 0.00 0.00 174.94 175.21 2khc s TYR 525 N -0.56 2.77 0.00 1.37 2.02 -0.91 -1.58 117.35 120.46 2khc s TYR 525 Ca 0.08 -2.92 0.00 0.00 -0.37 0.00 0.00 57.07 53.86 2khc s TYR 525 Cb -0.08 -2.50 0.00 0.00 -0.40 0.00 0.00 41.96 38.98 2khc s TYR 525 CO -0.00 -0.76 0.00 1.58 -1.57 0.00 0.00 175.55 174.80 2khc n HIS 526 N 3.27 0.00 -2.39 2.71 -0.00 -0.28 -3.68 115.22 114.85 2khc n HIS 526 Ca 0.06 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.84 2khc n HIS 526 Cb 0.33 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.16 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 -3.42 4.46 0.98 0.27 -0.00 0.24 -3.35 118.68 117.85 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 -3.71 0.18 0.00 -0.00 0.00 0.00 46.19 42.66 2khc s LEU 527 CO 0.00 -0.30 1.19 -2.84 -0.00 0.00 0.00 176.35 174.40 2khc s PRO 528 N -1.68 0.55 0.63 1.48 0.02 -1.26 0.17 135.00 134.92 2khc s PRO 528 Ca 0.48 0.01 0.25 0.00 0.02 0.00 0.00 61.00 61.76 2khc s PRO 528 Cb -0.33 -1.80 1.29 0.00 0.02 0.00 0.00 34.50 33.68 2khc s PRO 528 CO 0.42 -2.54 1.73 -0.56 -0.33 0.00 0.00 177.00 175.72 2khc h GLN 529 N -1.74 0.00 -0.29 5.54 3.07 -1.88 -0.87 115.11 118.94 2khc h GLN 529 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 2khc h GLN 529 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 2khc h GLN 529 CO 0.50 0.00 0.00 0.39 0.09 0.00 0.00 178.83 179.81 2khc n GLU 530 N -3.16 1.58 -3.49 0.06 1.02 -1.26 -4.82 120.64 110.57 2khc n GLU 530 Ca 0.04 -0.81 -0.38 0.00 -0.02 0.00 0.00 57.16 56.00 2khc n GLU 530 Cb 0.68 -1.23 -0.06 0.00 -0.02 0.00 0.00 31.44 30.81 2khc n GLU 530 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2khc s PHE 531 N -1.69 3.73 0.11 -0.32 2.19 -0.33 -5.08 117.98 116.58 2khc s PHE 531 Ca 0.15 1.01 0.05 0.00 0.33 0.00 0.00 56.93 58.47 2khc s PHE 531 Cb 0.08 -2.30 -0.04 0.00 -1.31 0.00 0.00 43.02 39.45 2khc s PHE 531 CO 0.09 0.63 0.01 0.99 1.83 0.00 0.00 175.22 178.78 2khc s THR 532 N -1.10 4.03 0.43 0.12 2.01 -1.26 -4.87 115.64 115.00 2khc s THR 532 Ca 0.25 -1.05 0.22 0.00 0.31 0.00 0.00 61.69 61.41 2khc s THR 532 Cb -0.17 -2.95 0.24 0.00 0.01 0.00 0.00 72.50 69.63 2khc s THR 532 CO 0.14 0.07 2.03 -2.24 -0.69 0.00 0.00 174.62 173.93 2khc h ASP 533 N 3.23 0.00 -0.16 3.53 3.04 -1.84 -2.82 116.42 121.39 2khc h ASP 533 Ca -0.48 0.00 0.05 0.00 -3.24 0.00 0.00 57.03 53.36 2khc h ASP 533 Cb 1.17 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.46 2khc h ASP 533 CO 0.60 0.15 0.12 0.74 -2.04 0.00 0.00 179.24 178.81 2khc h THR 534 N 0.00 0.91 -0.09 1.15 2.02 -1.85 -2.30 112.91 112.75 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 0.34 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2khc h THR 534 CO 0.02 0.00 -0.03 -0.78 0.37 0.00 0.00 175.52 175.10 2khc h ASP 535 N 0.00 0.18 0.16 4.18 3.58 -1.89 -2.02 116.42 120.60 2khc h ASP 535 Ca 0.08 -0.39 -0.19 0.00 0.42 0.00 0.00 57.03 56.94 2khc h ASP 535 Cb 0.31 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 2khc h ASP 535 CO -0.00 0.53 -0.74 0.17 -2.88 0.00 0.00 179.24 176.32 2khc h LEU 536 N -0.18 0.59 -1.13 2.28 8.10 -1.72 -2.52 115.31 120.73 2khc h LEU 536 Ca 0.02 -0.39 -0.04 0.00 0.11 0.00 0.00 57.88 57.58 2khc h LEU 536 Cb 0.45 -0.17 -0.03 0.00 -0.44 0.00 0.00 40.66 40.47 2khc h LEU 536 CO 0.01 1.14 0.18 0.00 -4.11 0.00 0.00 178.44 175.66 2khc h ALA 537 N 0.85 1.31 -0.05 0.17 0.00 -1.46 -2.44 119.26 117.63 2khc h ALA 537 Ca -0.04 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.48 2khc h ALA 537 Cb 1.33 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2khc h ALA 537 CO 0.13 0.50 -0.88 1.03 0.00 0.00 0.00 179.25 180.04 2khc h SER 538 N 0.78 0.66 0.42 0.00 0.87 -1.31 -1.19 113.55 113.78 2khc h SER 538 Ca 0.18 -0.49 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 2khc h SER 538 Cb 0.21 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2khc h SER 538 CO -0.01 1.27 -0.20 0.74 -0.53 0.00 0.00 176.83 178.10 2khc h THR 539 N 0.33 0.38 0.00 2.23 2.02 -1.17 -3.19 112.91 113.51 2khc h THR 539 Ca -0.07 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.52 2khc h THR 539 Cb 1.50 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 2khc h THR 539 CO 0.16 0.07 0.00 2.22 0.37 0.00 0.00 175.52 178.34 2khc n PHE 540 N -5.18 0.00 -0.50 3.16 -1.74 -0.94 -4.47 117.46 107.78 2khc n PHE 540 Ca -0.09 0.00 0.41 0.00 -0.56 0.00 0.00 57.45 57.21 2khc n PHE 540 Cb 0.29 -0.31 0.69 0.00 1.52 0.00 0.00 39.48 41.66 2khc n PHE 540 CO 0.00 0.00 0.00 -0.11 -0.56 0.00 0.00 176.76 176.09 2khc n LEU 541 N -1.31 0.18 0.25 5.98 0.00 -0.45 -0.29 117.00 121.36 2khc n LEU 541 Ca 0.12 1.32 0.10 0.00 0.00 0.00 0.00 56.01 57.55 2khc n LEU 541 Cb 0.22 -0.65 0.53 0.00 0.00 0.00 0.00 43.42 43.52 2khc n LEU 541 CO 0.21 -1.42 0.95 -0.65 0.00 0.00 0.00 177.39 176.47 2khc h PRO 542 N 0.00 0.00 0.39 1.96 0.11 -1.83 -3.27 132.00 129.36 2khc h PRO 542 Ca 0.88 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.97 2khc h PRO 542 Cb 2.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 34.03 2khc h PRO 542 CO -0.40 0.00 -0.19 0.27 -0.21 0.00 0.00 178.00 177.47 2khc h PHE 543 N 0.00 -0.48 -0.37 0.65 -5.15 -0.96 -3.46 116.94 107.16 2khc h PHE 543 Ca 0.00 -0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.76 2khc h PHE 543 Cb 0.71 0.16 0.00 0.00 0.22 0.00 0.00 35.95 37.04 2khc h PHE 543 CO 0.00 -0.30 0.00 0.41 -2.00 0.00 0.00 178.31 176.42 2khc n GLY 544 N -0.28 5.30 3.68 6.09 0.00 -1.23 -4.35 105.19 114.39 2khc n GLY 544 Ca -0.06 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 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 6.82 -0.24 1.61 0.02 -1.08 -4.81 114.94 118.26 2khc s ASN 545 Ca 0.00 1.00 -0.10 0.00 -1.02 0.00 0.00 52.86 52.74 2khc s ASN 545 Cb 0.00 -2.39 -0.05 0.00 0.02 0.00 0.00 41.25 38.83 2khc s ASN 545 CO 0.00 -0.26 0.16 0.54 0.02 0.00 0.00 177.10 177.55 2khc s VAL 546 N 1.69 5.27 -0.59 1.60 0.11 -1.26 -2.44 120.40 124.79 2khc s VAL 546 Ca 0.33 0.15 0.04 0.00 -2.93 0.00 0.00 61.98 59.57 2khc s VAL 546 Cb -0.16 -3.46 0.15 0.00 -1.53 0.00 0.00 36.38 31.37 2khc s VAL 546 CO 0.12 0.34 0.35 0.27 -3.33 0.00 0.00 175.10 172.85 2khc s ILE 547 N 1.15 2.74 -0.19 7.04 -0.00 -0.80 -1.68 121.20 129.46 2khc s ILE 547 Ca 0.07 -3.68 -0.09 0.00 -0.00 0.00 0.00 60.65 56.95 2khc s ILE 547 Cb -0.14 -2.86 -0.05 0.00 -0.00 0.00 0.00 42.46 39.42 2khc s ILE 547 CO 0.05 -0.88 0.13 -0.94 -0.00 0.00 0.00 174.94 173.31 2khc s SER 548 N -0.71 6.24 0.41 4.36 1.04 -1.26 -2.19 113.70 121.59 2khc s SER 548 Ca 0.20 0.27 0.07 0.00 0.48 0.00 0.00 55.95 56.97 2khc s SER 548 Cb -0.18 -2.09 -0.08 0.00 0.10 0.00 0.00 66.02 63.78 2khc s SER 548 CO -0.06 0.22 0.04 0.00 0.98 0.00 0.00 173.24 174.42 2khc s ALA 549 N 0.11 3.24 0.03 5.32 0.00 -0.87 0.16 121.76 129.76 2khc s ALA 549 Ca 0.09 -2.27 0.03 0.00 0.00 0.00 0.00 51.96 49.81 2khc s ALA 549 Cb -0.11 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 2khc s ALA 549 CO -0.01 -0.13 -0.10 -1.59 0.00 0.00 0.00 175.76 173.94 2khc s LYS 550 N -3.74 0.65 -0.30 0.00 0.00 -1.26 -2.24 119.74 112.84 2khc s LYS 550 Ca 0.36 -0.66 0.03 0.00 0.00 0.00 0.00 55.97 55.70 2khc s LYS 550 Cb 0.09 -0.55 0.09 0.00 0.00 0.00 0.00 37.83 37.46 2khc s LYS 550 CO 0.19 0.13 0.01 0.54 0.00 0.00 0.00 175.35 176.21 2khc s VAL 551 N -0.96 1.91 -0.01 1.79 0.11 -0.57 -4.88 120.40 117.80 2khc s VAL 551 Ca -0.04 -1.87 -0.02 0.00 -2.93 0.00 0.00 61.98 57.13 2khc s VAL 551 Cb -0.08 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.43 2khc s VAL 551 CO 0.01 -0.42 0.14 0.72 -3.33 0.00 0.00 175.10 172.22 2khc s PHE 552 N 1.13 3.45 0.45 1.54 -0.12 19.88 -2.19 117.98 142.11 2khc s PHE 552 Ca 0.04 0.30 0.06 0.00 -0.05 0.00 0.00 56.93 57.28 2khc s PHE 552 Cb -0.19 -1.79 -0.03 0.00 -0.63 0.00 0.00 43.02 40.37 2khc s PHE 552 CO -0.10 0.61 0.18 0.42 -0.05 0.00 0.00 175.22 176.28 2khc s ILE 553 N -1.27 2.02 -0.93 -4.49 1.01 -1.26 -4.96 121.20 111.32 2khc s ILE 553 Ca 0.25 -1.72 -0.18 0.00 0.00 0.00 0.00 60.65 59.00 2khc s ILE 553 Cb -0.12 -2.75 0.15 0.00 0.01 0.00 0.00 42.46 39.75 2khc s ILE 553 CO 0.17 0.00 1.09 -1.81 0.00 0.00 0.00 174.94 174.38 2khc s ASP 554 N -3.95 6.68 0.00 3.58 1.01 -1.26 -4.36 116.67 118.37 2khc s ASP 554 Ca 0.35 -2.21 0.24 0.00 0.71 0.00 0.00 52.55 51.63 2khc s ASP 554 Cb 0.03 -2.37 0.38 0.00 1.01 0.00 0.00 42.92 41.98 2khc s ASP 554 CO 0.19 -0.96 1.38 2.29 0.21 0.00 0.00 175.17 178.28 2khc n LYS 555 N 6.06 2.42 -0.13 8.23 -0.00 -1.23 -3.91 118.16 129.60 2khc n LYS 555 Ca 0.23 -2.12 -0.04 0.00 -0.00 0.00 0.00 58.31 56.38 2khc n LYS 555 Cb 0.48 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 33.99 2khc n LYS 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2khc n GLN 556 N 1.39 -0.14 0.00 -1.58 10.64 -1.26 -3.51 117.38 122.92 2khc n GLN 556 Ca 0.18 1.08 0.00 0.00 -1.83 0.00 0.00 57.00 56.42 2khc n GLN 556 Cb 0.59 -1.60 0.00 0.00 -0.86 0.00 0.00 30.24 28.37 2khc n GLN 556 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 2khc n THR 557 N -3.69 0.18 -0.03 -0.39 5.66 -1.26 -4.92 114.28 109.83 2khc n THR 557 Ca 0.01 -0.38 -0.03 0.00 -3.05 0.00 0.00 64.05 60.59 2khc n THR 557 Cb 0.08 1.19 -0.01 0.00 -1.55 0.00 0.00 70.33 70.05 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 -0.09 0.77 -3.67 1.09 7.64 -1.23 -5.06 113.62 113.07 2khc n SER 558 Ca 0.00 0.28 -0.10 0.00 1.01 0.00 0.00 58.87 60.06 2khc n SER 558 Cb 0.18 -0.63 -0.09 0.00 -1.01 0.00 0.00 64.21 62.67 2khc n SER 558 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2khc s LEU 559 N -6.11 -0.51 -0.89 -3.43 0.05 -1.25 -5.02 118.68 101.51 2khc s LEU 559 Ca -0.09 1.24 -0.15 0.00 0.05 0.00 0.00 54.13 55.18 2khc s LEU 559 Cb 0.01 1.97 0.20 0.00 -2.05 0.00 0.00 46.19 46.32 2khc s LEU 559 CO 0.13 -0.22 0.92 -0.44 -0.55 0.00 0.00 176.35 176.19 2khc s SER 560 N 1.25 6.79 -0.18 1.48 0.01 -1.26 -3.50 113.70 118.29 2khc s SER 560 Ca -0.07 -2.62 -0.04 0.00 1.31 0.00 0.00 55.95 54.52 2khc s SER 560 Cb -0.06 -2.27 0.09 0.00 0.21 0.00 0.00 66.02 64.00 2khc s SER 560 CO -0.13 -0.68 0.29 -1.59 0.41 0.00 0.00 173.24 171.54 2khc s LYS 561 N 0.72 0.22 0.33 12.44 -2.85 -1.26 -4.73 119.74 124.61 2khc s LYS 561 Ca 0.24 0.56 0.01 0.00 -1.00 0.00 0.00 55.97 55.77 2khc s LYS 561 Cb -0.08 -0.46 -0.01 0.00 -2.06 0.00 0.00 37.83 35.21 2khc s LYS 561 CO -0.09 -0.47 0.40 0.00 0.10 0.00 0.00 175.35 175.29 2khc s PHE 563 N -3.24 0.85 0.24 0.00 -0.12 -0.85 0.79 117.98 115.65 2khc s PHE 563 Ca 0.34 -0.73 0.11 0.00 -0.05 0.00 0.00 56.93 56.60 2khc s PHE 563 Cb 0.01 -0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 41.86 2khc s PHE 563 CO 0.22 -0.10 -0.17 0.20 -0.05 0.00 0.00 175.22 175.32 2khc s GLY 564 N -2.46 1.79 -0.03 1.99 0.00 -0.61 -1.60 107.32 106.40 2khc s GLY 564 Ca 0.04 -1.73 0.05 0.00 0.00 0.00 0.00 44.72 43.07 2khc s GLY 564 CO -0.02 -1.79 -0.16 -1.36 0.00 0.00 0.00 173.10 169.77 2khc s PHE 565 N -2.15 2.64 -0.14 1.90 0.40 -0.95 -2.23 117.98 117.45 2khc s PHE 565 Ca 0.27 -0.20 -0.03 0.00 -0.60 0.00 0.00 56.93 56.37 2khc s PHE 565 Cb -0.06 -1.59 0.05 0.00 0.51 0.00 0.00 43.02 41.93 2khc s PHE 565 CO 0.14 0.18 0.06 0.14 0.70 0.00 0.00 175.22 176.44 2khc s VAL 566 N -0.76 0.17 -0.38 -0.44 -7.23 -0.90 -2.05 120.40 108.81 2khc s VAL 566 Ca 0.12 -0.16 -0.08 0.00 -1.81 0.00 0.00 61.98 60.05 2khc s VAL 566 Cb -0.11 -0.65 0.06 0.00 0.56 0.00 0.00 36.38 36.24 2khc s VAL 566 CO 0.01 -0.11 0.19 -0.55 -0.31 0.00 0.00 175.10 174.33 2khc s SER 567 N 2.03 5.52 -0.05 4.85 0.15 -0.93 -1.65 113.70 123.63 2khc s SER 567 Ca 0.02 -1.31 0.05 0.00 0.70 0.00 0.00 55.95 55.40 2khc s SER 567 Cb -0.15 -1.94 -0.02 0.00 -1.71 0.00 0.00 66.02 62.19 2khc s SER 567 CO -0.07 -0.44 -0.19 -0.36 1.20 0.00 0.00 173.24 173.38 2khc s PHE 568 N 1.43 2.56 -0.47 3.44 0.08 -1.01 -1.90 117.98 122.11 2khc s PHE 568 Ca 0.01 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.70 2khc s PHE 568 Cb -0.21 -1.61 0.13 0.00 -0.57 0.00 0.00 43.02 40.75 2khc s PHE 568 CO 0.03 0.00 0.21 -0.51 -0.10 0.00 0.00 175.22 174.86 2khc s ASP 569 N -0.47 4.23 0.03 1.36 1.01 -1.02 -1.99 116.67 119.82 2khc s ASP 569 Ca 0.06 -2.74 -0.01 0.00 0.71 0.00 0.00 52.55 50.57 2khc s ASP 569 Cb -0.12 -1.48 0.00 0.00 1.01 0.00 0.00 42.92 42.34 2khc s ASP 569 CO 0.01 -0.27 0.05 -3.20 0.21 0.00 0.00 175.17 171.97 2khc n ASN 570 N 3.45 -0.15 -3.66 0.27 2.85 -1.25 -2.63 115.26 114.15 2khc n ASN 570 Ca 0.05 -1.11 -0.30 0.00 -0.11 0.00 0.00 54.58 53.11 2khc n ASN 570 Cb 0.35 0.25 0.26 0.00 1.24 0.00 0.00 39.78 41.87 2khc n ASN 570 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2khc s PRO 571 N -2.01 -1.97 0.64 1.20 0.04 -1.26 -4.72 135.00 126.92 2khc s PRO 571 Ca 0.01 0.02 0.25 0.00 0.04 0.00 0.00 61.00 61.32 2khc s PRO 571 Cb -0.00 -1.50 1.29 0.00 0.04 0.00 0.00 34.50 34.33 2khc s PRO 571 CO 0.01 -4.22 1.73 0.38 0.04 0.00 0.00 177.00 174.94 2khc h ASP 572 N -2.95 0.00 -0.96 6.66 2.03 -1.99 0.12 116.42 119.34 2khc h ASP 572 Ca -0.44 0.00 0.25 0.00 -0.73 0.00 0.00 57.03 56.11 2khc h ASP 572 Cb 1.31 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.75 2khc h ASP 572 CO 0.32 0.00 0.66 0.28 -1.03 0.00 0.00 179.24 179.46 2khc h SER 573 N 0.00 0.23 -0.63 4.15 0.02 -1.91 1.27 113.55 116.68 2khc h SER 573 Ca 0.09 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 2khc h SER 573 Cb 1.16 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 2khc h SER 573 CO -0.00 0.07 0.22 0.00 -1.14 0.00 0.00 176.83 175.99 2khc h ALA 574 N 1.57 0.82 -0.33 3.77 0.00 -1.18 -2.25 119.26 121.66 2khc h ALA 574 Ca 0.49 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.28 2khc h ALA 574 Cb 1.55 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 2khc h ALA 574 CO -0.12 0.47 -0.16 1.96 0.00 0.00 0.00 179.25 181.39 2khc h GLN 575 N 0.89 -0.11 -0.80 0.00 4.20 0.15 -0.86 115.11 118.58 2khc h GLN 575 Ca 0.21 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.96 2khc h GLN 575 Cb 0.25 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 2khc h GLN 575 CO -0.01 -0.07 0.50 0.28 -0.67 0.00 0.00 178.83 178.86 2khc h VAL 576 N -0.11 1.09 -0.46 -0.54 2.07 -1.12 -2.11 116.25 115.07 2khc h VAL 576 Ca 0.17 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.43 2khc h VAL 576 Cb 0.37 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.12 2khc h VAL 576 CO -0.40 0.18 0.11 0.00 0.02 0.00 0.00 177.57 177.47 2khc h ALA 577 N 1.35 0.52 0.05 1.67 0.00 -0.59 -2.07 119.26 120.19 2khc h ALA 577 Ca 0.33 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 2khc h ALA 577 Cb 0.06 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2khc h ALA 577 CO -0.13 -0.29 -0.03 0.82 0.00 0.00 0.00 179.25 179.62 2khc h ILE 578 N 0.25 1.25 0.00 0.00 2.04 -1.06 -3.25 117.51 116.73 2khc h ILE 578 Ca 0.22 -1.56 -0.06 0.00 1.00 0.00 0.00 64.86 64.47 2khc h ILE 578 Cb 0.27 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 2khc h ILE 578 CO -0.28 0.36 -0.27 0.07 0.00 0.00 0.00 178.15 178.03 2khc h LYS 579 N -0.83 0.00 0.00 2.37 5.09 -1.45 -2.62 116.57 119.13 2khc h LYS 579 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.71 2khc h LYS 579 Cb 0.65 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.97 2khc h LYS 579 CO 0.01 0.27 -0.09 0.00 -2.09 0.00 0.00 179.45 177.56 2khc h ALA 580 N 1.73 0.97 -3.61 0.07 0.00 -1.50 -3.45 119.26 113.48 2khc h ALA 580 Ca -0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 54.91 54.42 2khc h ALA 580 Cb 0.61 -0.01 -0.32 0.00 0.00 0.00 0.00 17.79 18.06 2khc h ALA 580 CO 0.04 0.11 -0.78 0.00 0.00 0.00 0.00 179.25 178.61 2khc s MET 581 N -3.43 0.88 0.89 0.00 0.23 -0.99 -5.09 119.30 111.79 2khc s MET 581 Ca 0.03 -0.19 -0.11 0.00 -1.03 0.00 0.00 55.69 54.40 2khc s MET 581 Cb 0.08 -0.84 0.13 0.00 -1.53 0.00 0.00 34.83 32.66 2khc s MET 581 CO 0.62 0.00 1.11 0.54 -2.03 0.00 0.00 175.02 175.27 2khc s ASN 582 N 0.57 3.29 0.00 -1.18 4.22 -1.26 -4.82 114.94 115.76 2khc s ASN 582 Ca -0.08 1.94 0.00 0.00 -2.14 0.00 0.00 52.86 52.57 2khc s ASN 582 Cb -0.12 -2.48 0.00 0.00 1.28 0.00 0.00 41.25 39.93 2khc s ASN 582 CO 0.01 -2.83 0.42 0.61 -2.04 0.00 0.00 177.10 173.27 2khc n GLY 583 N -0.33 -1.09 2.85 0.45 0.00 -1.26 -4.96 105.19 100.86 2khc n GLY 583 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.15 1.74 -0.41 1.61 5.36 -1.26 -4.77 117.98 120.09 2khc s PHE 584 Ca 0.00 -1.29 -0.14 0.00 -0.96 0.00 0.00 56.93 54.54 2khc s PHE 584 Cb 0.00 -1.32 0.02 0.00 -0.34 0.00 0.00 43.02 41.39 2khc s PHE 584 CO 0.00 -0.68 0.29 -0.65 -1.46 0.00 0.00 175.22 172.72 2khc s GLN 585 N 1.62 2.94 0.16 10.12 -0.21 -1.25 -2.49 119.66 130.55 2khc s GLN 585 Ca -0.03 -1.05 0.08 0.00 0.02 0.00 0.00 55.36 54.38 2khc s GLN 585 Cb -0.18 -3.95 -0.04 0.00 1.00 0.00 0.00 33.01 29.85 2khc s GLN 585 CO -0.07 -0.76 -0.17 0.08 -2.12 0.00 0.00 175.29 172.25 2khc s VAL 586 N 1.66 1.72 0.49 1.09 1.01 -0.92 -4.97 120.40 120.48 2khc s VAL 586 Ca 0.04 -1.91 0.37 0.00 0.00 0.00 0.00 61.98 60.48 2khc s VAL 586 Cb -0.19 -1.81 0.58 0.00 0.00 0.00 0.00 36.38 34.96 2khc s VAL 586 CO 0.09 -0.37 1.63 1.23 0.00 0.00 0.00 175.10 177.69 2khc h GLY 587 N 3.22 0.71 -5.94 4.51 0.00 -2.07 -2.37 103.07 101.13 2khc h GLY 587 Ca -0.41 -0.06 -0.41 0.00 0.00 0.00 0.00 47.33 46.45 2khc h GLY 587 CO 0.52 -0.21 -0.77 -0.51 0.00 0.00 0.00 176.54 175.57 2khc s THR 588 N -5.12 -0.22 -0.30 4.70 -4.23 -1.26 -5.08 115.64 104.13 2khc s THR 588 Ca -0.06 -1.79 -0.11 0.00 -1.18 0.00 0.00 61.69 58.55 2khc s THR 588 Cb 0.28 -0.74 0.17 0.00 1.34 0.00 0.00 72.50 73.55 2khc s THR 588 CO 0.84 -0.72 0.86 -0.75 -0.54 0.00 0.00 174.62 174.32 2khc s LYS 589 N 0.60 0.38 -0.06 3.99 2.20 -0.89 -5.15 119.74 120.80 2khc s LYS 589 Ca 0.29 0.83 0.06 0.00 -0.36 0.00 0.00 55.97 56.79 2khc s LYS 589 Cb -0.01 0.49 -0.01 0.00 -1.51 0.00 0.00 37.83 36.78 2khc s LYS 589 CO -0.11 -0.25 -0.25 0.50 -0.36 0.00 0.00 175.35 174.88 2khc s ARG 590 N 2.73 2.52 0.22 4.03 3.52 -1.23 -2.15 118.95 128.58 2khc s ARG 590 Ca 0.02 -0.90 -0.30 0.00 -0.13 0.00 0.00 55.73 54.42 2khc s ARG 590 Cb -0.10 -2.14 -0.09 0.00 -1.56 0.00 0.00 34.95 31.07 2khc s ARG 590 CO -0.17 0.38 0.94 -1.17 -0.81 0.00 0.00 175.30 174.47 2khc s LEU 591 N -0.16 4.63 -0.53 -0.88 2.96 -1.04 -4.85 118.68 118.81 2khc s LEU 591 Ca -0.03 1.93 -0.24 0.00 -0.22 0.00 0.00 54.13 55.56 2khc s LEU 591 Cb -0.14 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 42.99 2khc s LEU 591 CO 0.04 0.13 0.91 -1.59 -1.32 0.00 0.00 176.35 174.51 2khc s LYS 592 N -1.02 3.35 -0.41 1.98 0.00 -1.24 -4.04 119.74 118.36 2khc s LYS 592 Ca 0.42 -0.23 -0.22 0.00 0.00 0.00 0.00 55.97 55.94 2khc s LYS 592 Cb -0.26 -4.03 0.02 0.00 0.00 0.00 0.00 37.83 33.56 2khc s LYS 592 CO 0.32 -1.41 0.73 0.54 0.00 0.00 0.00 175.35 175.53 2khc s VAL 593 N 3.80 4.74 -0.41 1.79 0.11 -1.26 -2.14 120.40 127.02 2khc s VAL 593 Ca 0.30 0.51 -0.08 0.00 -2.93 0.00 0.00 61.98 59.78 2khc s VAL 593 Cb -0.12 -4.23 0.09 0.00 -1.53 0.00 0.00 36.38 30.58 2khc s VAL 593 CO 0.20 -0.56 0.24 -1.10 -3.33 0.00 0.00 175.10 170.55 2khc s GLN 594 N 3.06 2.48 0.15 1.54 -0.21 -0.87 -4.95 119.66 120.85 2khc s GLN 594 Ca 0.28 -1.54 -0.05 0.00 0.02 0.00 0.00 55.36 54.06 2khc s GLN 594 Cb -0.13 -3.72 -0.06 0.00 1.00 0.00 0.00 33.01 30.10 2khc s GLN 594 CO 0.19 -0.98 0.40 -1.17 -2.12 0.00 0.00 175.29 171.61 2khc s LEU 595 N 1.36 4.26 -0.20 2.90 2.96 -1.26 -1.99 118.68 126.70 2khc s LEU 595 Ca 0.04 0.63 -0.04 0.00 -0.22 0.00 0.00 54.13 54.54 2khc s LEU 595 Cb -0.23 -3.35 0.09 0.00 0.50 0.00 0.00 46.19 43.20 2khc s LEU 595 CO 0.00 0.04 0.18 -1.59 -1.32 0.00 0.00 176.35 173.66 2khc s LYS 596 N -2.66 0.16 0.00 1.98 -2.85 -0.62 -5.00 119.74 110.74 2khc s LYS 596 Ca 0.42 0.04 0.31 0.00 -1.00 0.00 0.00 55.97 55.73 2khc s LYS 596 Cb -0.12 -1.37 1.66 0.00 -2.06 0.00 0.00 37.83 35.94 2khc s LYS 596 CO 0.24 -0.71 2.09 1.63 0.10 0.00 0.00 175.35 178.70