#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jbg s LYS 449 N 0.00 3.81 1.27 3.52 2.47 -1.25 -4.69 119.74 124.86 2jbg s LYS 449 Ca 0.00 -0.30 -0.17 0.00 -1.56 0.00 0.00 55.97 53.94 2jbg s LYS 449 Cb 0.00 -3.19 0.30 0.00 -1.46 0.00 0.00 37.83 33.48 2jbg s LYS 449 CO 0.00 0.41 0.80 -0.35 0.16 0.00 0.00 175.35 176.37 2jbg n PRO 450 N 3.11 -3.23 0.00 4.03 -0.04 -1.15 -4.39 135.00 133.33 2jbg n PRO 450 Ca -0.17 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 2jbg n PRO 450 Cb 0.53 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 2jbg n PRO 450 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jbg n GLY 451 N 1.54 1.41 3.73 0.55 0.00 -0.74 -4.96 105.19 106.72 2jbg n GLY 451 Ca 0.06 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 2jbg n GLY 451 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jbg s LYS 452 N -1.97 2.72 0.06 1.61 1.02 -1.25 -0.39 119.74 121.53 2jbg s LYS 452 Ca 0.00 -0.77 -0.27 0.00 0.02 0.00 0.00 55.97 54.95 2jbg s LYS 452 Cb 0.00 -2.63 -0.05 0.00 -0.52 0.00 0.00 37.83 34.63 2jbg s LYS 452 CO 0.00 0.55 0.83 0.00 -0.92 0.00 0.00 175.35 175.81 2jbg s ALA 453 N -1.37 3.33 0.10 5.17 0.00 -0.57 -4.62 121.76 123.79 2jbg s ALA 453 Ca 0.28 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.64 2jbg s ALA 453 Cb -0.12 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 2jbg s ALA 453 CO 0.20 0.03 -0.08 0.95 0.00 0.00 0.00 175.76 176.86 2jbg s THR 454 N -0.00 0.84 0.00 0.00 -4.23 -0.80 0.37 115.64 111.81 2jbg s THR 454 Ca 0.41 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 2jbg s THR 454 Cb -0.21 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.15 2jbg s THR 454 CO 0.25 -0.69 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 2jbg n GLY 455 N 0.31 3.42 0.09 3.99 0.00 -1.26 -0.28 105.19 111.46 2jbg n GLY 455 Ca -0.14 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 2jbg n GLY 455 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jbg n LYS 456 N -1.54 0.59 0.00 1.61 3.00 -1.26 -4.81 118.16 115.74 2jbg n LYS 456 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 2jbg n LYS 456 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 35.03 33.64 2jbg n LYS 456 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jbg n GLY 457 N 2.53 -1.32 3.27 3.14 0.00 -1.26 -4.19 105.19 107.35 2jbg n GLY 457 Ca -0.33 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 2jbg n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jbg s LYS 458 N 0.00 0.87 0.33 1.61 1.02 -0.33 -4.71 119.74 118.52 2jbg s LYS 458 Ca 0.00 -0.55 -0.27 0.00 0.02 0.00 0.00 55.97 55.16 2jbg s LYS 458 Cb 0.00 0.38 -0.09 0.00 -0.52 0.00 0.00 37.83 37.59 2jbg s LYS 458 CO 0.00 -0.29 1.11 -1.25 -0.92 0.00 0.00 175.35 174.00 2jbg s PRO 459 N -2.84 4.43 0.12 -1.68 0.04 -1.26 -0.35 135.00 133.46 2jbg s PRO 459 Ca -0.03 1.76 0.07 0.00 0.04 0.00 0.00 61.00 62.84 2jbg s PRO 459 Cb 0.00 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 2jbg s PRO 459 CO -0.05 0.03 -0.16 0.14 0.04 0.00 0.00 177.00 177.00 2jbg s VAL 460 N -1.32 1.49 0.00 -0.36 -7.23 -1.26 -4.94 120.40 106.79 2jbg s VAL 460 Ca 0.50 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2jbg s VAL 460 Cb -0.30 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.09 2jbg s VAL 460 CO 0.38 -0.30 0.00 -0.46 -0.31 0.00 0.00 175.10 174.41 2jbg n ASN 461 N 0.67 0.00 -0.22 4.85 0.23 -1.26 -4.94 115.26 114.59 2jbg n ASN 461 Ca -0.16 -0.71 0.00 0.00 -0.53 0.00 0.00 54.58 53.18 2jbg n ASN 461 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 2jbg n ASN 461 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2jbg n ASN 462 N -2.13 0.42 -2.73 0.53 6.94 -1.26 -2.93 115.26 114.09 2jbg n ASN 462 Ca 0.00 -1.91 0.00 0.00 -0.02 0.00 0.00 54.58 52.65 2jbg n ASN 462 Cb 0.00 -0.21 0.05 0.00 -2.36 0.00 0.00 39.78 37.26 2jbg n ASN 462 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2jbg n LYS 463 N -0.27 1.60 -0.28 -3.83 4.76 -1.26 -4.89 118.16 113.99 2jbg n LYS 463 Ca 0.00 -3.39 0.01 0.00 -2.87 0.00 0.00 58.31 52.06 2jbg n LYS 463 Cb 0.10 -1.49 0.06 0.00 -1.84 0.00 0.00 35.03 31.87 2jbg n LYS 463 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 2jbg n TRP 464 N -0.51 0.12 -0.62 2.13 -0.00 -1.15 -0.99 117.44 116.41 2jbg n TRP 464 Ca 0.07 0.92 -0.06 0.00 -0.00 0.00 0.00 57.50 58.43 2jbg n TRP 464 Cb 0.83 -0.84 0.23 0.00 -0.00 0.00 0.00 31.31 31.53 2jbg n TRP 464 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2jbg n LEU 465 N -5.15 5.33 0.26 5.87 4.77 -1.26 -4.40 117.00 122.41 2jbg n LEU 465 Ca 0.09 -2.77 0.14 0.00 -0.03 0.00 0.00 56.01 53.44 2jbg n LEU 465 Cb 0.33 -0.71 0.63 0.00 -2.33 0.00 0.00 43.42 41.34 2jbg n LEU 465 CO -0.10 0.73 0.92 0.78 -1.33 0.00 0.00 177.39 178.40 2jbg h ASN 466 N 2.01 0.00 -0.27 -1.43 4.21 -1.49 -3.00 115.58 115.62 2jbg h ASN 466 Ca 0.24 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.69 2jbg h ASN 466 Cb 2.06 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 39.23 2jbg h ASN 466 CO 0.62 0.11 -0.02 0.59 -1.29 0.00 0.00 177.43 177.44 2jbg n ASN 467 N -3.30 3.28 0.27 5.81 5.03 -1.26 -4.60 115.26 120.49 2jbg n ASN 467 Ca -0.00 -3.27 0.18 0.00 0.87 0.00 0.00 54.58 52.36 2jbg n ASN 467 Cb 0.33 -0.57 0.82 0.00 -1.02 0.00 0.00 39.78 39.35 2jbg n ASN 467 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jbg h ALA 468 N 1.36 1.00 -0.58 5.41 0.00 -1.76 -2.48 119.26 122.21 2jbg h ALA 468 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2jbg h ALA 468 Cb 1.48 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.19 2jbg h ALA 468 CO 0.26 0.00 0.15 0.41 0.00 0.00 0.00 179.25 180.07 2jbg n GLY 469 N -0.40 3.79 2.95 0.00 0.00 -1.26 -1.57 105.19 108.69 2jbg n GLY 469 Ca -0.00 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 2jbg n GLY 469 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jbg s LYS 470 N -2.96 0.14 5.27 1.61 2.20 -0.93 -4.80 119.74 120.27 2jbg s LYS 470 Ca 0.51 -0.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 2jbg s LYS 470 Cb 0.41 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.79 2jbg s LYS 470 CO 0.11 -0.02 0.00 -0.25 -0.36 0.00 0.00 175.35 174.83 2jbg n ASP 471 N 2.62 0.00 -1.46 1.43 10.43 -1.26 -0.44 116.55 127.88 2jbg n ASP 471 Ca -0.15 0.00 0.09 0.00 2.57 0.00 0.00 54.79 57.30 2jbg n ASP 471 Cb 0.58 0.00 0.34 0.00 1.84 0.00 0.00 41.12 43.88 2jbg n ASP 471 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2jbg n LEU 472 N 0.00 4.54 0.00 0.64 4.77 -1.26 -4.91 117.00 120.78 2jbg n LEU 472 Ca 0.00 -2.42 0.00 0.00 -0.03 0.00 0.00 56.01 53.56 2jbg n LEU 472 Cb 0.00 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 2jbg n LEU 472 CO 0.00 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 2jbg n GLY 473 N 1.01 -0.72 3.86 -0.72 0.00 0.42 -4.47 105.19 104.58 2jbg n GLY 473 Ca 0.24 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 2jbg n GLY 473 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jbg s SER 474 N -4.00 6.68 0.73 1.61 0.01 0.33 -4.76 113.70 114.30 2jbg s SER 474 Ca 0.00 0.90 -0.08 0.00 1.31 0.00 0.00 55.95 58.08 2jbg s SER 474 Cb 0.00 -2.22 0.06 0.00 0.21 0.00 0.00 66.02 64.08 2jbg s SER 474 CO 0.00 0.08 1.06 -2.16 0.41 0.00 0.00 173.24 172.63 2jbg s PRO 475 N -2.20 2.17 -0.12 12.44 0.04 -1.26 0.63 135.00 146.70 2jbg s PRO 475 Ca 0.39 -0.14 -0.29 0.00 0.04 0.00 0.00 61.00 60.99 2jbg s PRO 475 Cb -0.13 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 2jbg s PRO 475 CO 0.20 -1.31 1.38 0.08 0.04 0.00 0.00 177.00 177.39 2jbg s VAL 476 N -3.33 4.04 0.35 -0.36 1.01 -1.25 -4.77 120.40 116.08 2jbg s VAL 476 Ca 0.60 1.27 -0.29 0.00 0.00 0.00 0.00 61.98 63.57 2jbg s VAL 476 Cb -0.11 -3.82 -0.11 0.00 0.00 0.00 0.00 36.38 32.34 2jbg s VAL 476 CO 0.46 -0.10 1.52 -2.84 0.00 0.00 0.00 175.10 174.14 2jbg s PRO 477 N 3.52 4.12 0.25 2.72 0.02 -1.26 -1.19 135.00 143.18 2jbg s PRO 477 Ca 0.61 2.57 -0.03 0.00 0.02 0.00 0.00 61.00 64.17 2jbg s PRO 477 Cb -0.26 -2.99 0.41 0.00 0.02 0.00 0.00 34.50 31.69 2jbg s PRO 477 CO 0.20 -0.57 1.83 0.38 -0.33 0.00 0.00 177.00 178.51 2jbg h ASP 478 N 3.65 0.78 -1.00 2.53 3.04 -0.86 -0.84 116.42 123.73 2jbg h ASP 478 Ca -0.49 0.04 0.04 0.00 -3.24 0.00 0.00 57.03 53.37 2jbg h ASP 478 Cb 1.23 -0.12 -0.06 0.00 -1.04 0.00 0.00 39.33 39.35 2jbg h ASP 478 CO 0.69 0.45 0.65 0.03 -2.04 0.00 0.00 179.24 179.03 2jbg h ARG 479 N 0.89 1.21 -0.30 4.15 -0.00 -1.86 -1.26 114.38 117.22 2jbg h ARG 479 Ca 0.41 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.98 59.75 2jbg h ARG 479 Cb 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 29.97 30.02 2jbg h ARG 479 CO -0.23 0.80 -0.09 0.82 0.00 0.00 0.00 179.97 181.27 2jbg h ILE 480 N 1.25 1.28 -0.77 2.04 1.08 -1.61 -2.94 117.51 117.85 2jbg h ILE 480 Ca 0.40 -1.14 0.09 0.00 -0.39 0.00 0.00 64.86 63.82 2jbg h ILE 480 Cb 0.02 1.41 -0.05 0.00 -3.07 0.00 0.00 36.82 35.13 2jbg h ILE 480 CO -0.13 0.36 0.50 0.00 -0.69 0.00 0.00 178.15 178.20 2jbg h ALA 481 N 0.78 1.77 -0.02 1.87 0.00 -0.59 -0.65 119.26 122.43 2jbg h ALA 481 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2jbg h ALA 481 Cb 0.58 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2jbg h ALA 481 CO 0.03 0.07 -0.21 -0.91 0.00 0.00 0.00 179.25 178.23 2jbg h ASN 482 N 0.71 0.03 1.26 0.00 -0.26 -1.07 0.97 115.58 117.22 2jbg h ASN 482 Ca 0.35 -0.01 -0.13 0.00 -0.56 0.00 0.00 56.30 55.96 2jbg h ASN 482 Cb 0.43 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.66 2jbg h ASN 482 CO -0.13 0.24 -0.77 0.11 -1.06 0.00 0.00 177.43 175.83 2jbg h LYS 483 N 0.03 0.00 0.00 0.81 1.79 -1.07 -3.35 116.57 114.77 2jbg h LYS 483 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2jbg h LYS 483 Cb 0.40 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2jbg h LYS 483 CO 0.03 0.47 -1.92 1.28 -1.08 0.00 0.00 179.45 178.23 2jbg n LEU 484 N -3.14 0.00 -4.62 2.94 4.77 -0.96 -4.95 117.00 111.04 2jbg n LEU 484 Ca -0.01 0.00 -0.50 0.00 -0.03 0.00 0.00 56.01 55.47 2jbg n LEU 484 Cb 0.77 0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.84 2jbg n LEU 484 CO 0.42 0.03 0.99 -1.14 -1.33 0.00 0.00 177.39 176.35 2jbg n ARG 485 N -2.22 1.51 -1.10 3.23 0.63 0.32 -1.49 116.66 117.54 2jbg n ARG 485 Ca -0.05 0.54 -0.03 0.00 -0.92 0.00 0.00 57.85 57.38 2jbg n ARG 485 Cb 0.55 -2.22 -0.01 0.00 0.45 0.00 0.00 32.46 31.23 2jbg n ARG 485 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2jbg n ASP 486 N 2.75 -4.09 -4.88 6.15 8.00 0.16 -4.94 116.55 119.70 2jbg n ASP 486 Ca 0.17 0.09 -0.32 0.00 0.71 0.00 0.00 54.79 55.44 2jbg n ASP 486 Cb 0.23 -1.89 -0.05 0.00 -0.02 0.00 0.00 41.12 39.39 2jbg n ASP 486 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2jbg s LYS 487 N -1.59 3.72 0.00 -1.24 1.02 -0.56 -4.79 119.74 116.30 2jbg s LYS 487 Ca 0.00 0.10 -0.17 0.00 0.02 0.00 0.00 55.97 55.92 2jbg s LYS 487 Cb 0.00 -2.77 -0.06 0.00 -0.52 0.00 0.00 37.83 34.48 2jbg s LYS 487 CO 0.00 0.41 0.48 -1.21 -0.92 0.00 0.00 175.35 174.11 2jbg s GLU 488 N -2.66 4.09 -0.05 1.68 8.01 -1.26 -1.51 118.70 127.00 2jbg s GLU 488 Ca 0.43 0.54 0.01 0.00 0.01 0.00 0.00 54.97 55.96 2jbg s GLU 488 Cb -0.12 -3.27 0.02 0.00 -4.31 0.00 0.00 34.13 26.46 2jbg s GLU 488 CO 0.22 0.58 -0.04 -0.06 0.01 0.00 0.00 175.26 175.97 2jbg s PHE 489 N -0.78 0.76 0.30 1.61 0.08 0.47 -4.97 117.98 115.46 2jbg s PHE 489 Ca 0.26 -0.22 0.36 0.00 0.12 0.00 0.00 56.93 57.46 2jbg s PHE 489 Cb -0.17 -0.69 1.70 0.00 -0.57 0.00 0.00 43.02 43.28 2jbg s PHE 489 CO 0.15 -0.21 2.11 0.87 -0.10 0.00 0.00 175.22 178.04 2jbg h LYS 490 N 7.31 0.00 -2.30 0.44 1.57 -1.89 -1.98 116.57 119.72 2jbg h LYS 490 Ca -0.36 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.56 2jbg h LYS 490 Cb 1.15 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.33 2jbg h LYS 490 CO 0.45 0.02 0.49 -1.54 -0.57 0.00 0.00 179.45 178.30 2jbg s SER 491 N -5.57 -0.29 0.22 0.86 1.04 -1.26 -2.93 113.70 105.76 2jbg s SER 491 Ca -0.01 -0.15 -0.08 0.00 0.48 0.00 0.00 55.95 56.19 2jbg s SER 491 Cb 0.11 0.42 0.18 0.00 0.10 0.00 0.00 66.02 66.83 2jbg s SER 491 CO 0.51 -0.72 1.84 0.15 0.98 0.00 0.00 173.24 175.99 2jbg h PHE 492 N 2.00 1.18 -0.83 5.02 3.57 -1.88 -0.69 116.94 125.30 2jbg h PHE 492 Ca -0.23 -0.04 0.14 0.00 3.53 0.00 0.00 57.97 61.37 2jbg h PHE 492 Cb 1.24 -0.37 -0.06 0.00 2.79 0.00 0.00 35.95 39.54 2jbg h PHE 492 CO 0.30 0.83 0.54 0.22 -2.23 0.00 0.00 178.31 177.97 2jbg h ASP 493 N 1.18 0.58 -0.47 0.41 1.82 -1.98 0.68 116.42 118.64 2jbg h ASP 493 Ca 0.30 0.03 -0.13 0.00 -0.39 0.00 0.00 57.03 56.83 2jbg h ASP 493 Cb 0.05 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 2jbg h ASP 493 CO -0.04 0.31 -0.23 -0.78 -1.61 0.00 0.00 179.24 176.88 2jbg h ASP 494 N 0.62 1.02 -0.55 2.28 3.58 -1.56 -1.53 116.42 120.29 2jbg h ASP 494 Ca 0.41 -0.40 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2jbg h ASP 494 Cb 0.70 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 2jbg h ASP 494 CO -0.17 1.20 0.18 0.15 -2.88 0.00 0.00 179.24 177.72 2jbg h PHE 495 N 0.84 0.87 -0.25 0.28 3.57 0.52 -1.97 116.94 120.80 2jbg h PHE 495 Ca 0.10 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.54 2jbg h PHE 495 Cb 0.82 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 2jbg h PHE 495 CO 0.05 0.74 0.12 -0.09 -2.23 0.00 0.00 178.31 176.90 2jbg h ARG 496 N 0.76 0.24 -0.08 1.11 2.43 0.42 0.44 114.38 119.70 2jbg h ARG 496 Ca 0.18 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2jbg h ARG 496 Cb 0.27 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2jbg h ARG 496 CO -0.01 0.16 0.05 0.87 -1.51 0.00 0.00 179.97 179.53 2jbg h LYS 497 N 0.25 0.11 -0.79 0.20 1.57 -1.15 -1.82 116.57 114.93 2jbg h LYS 497 Ca 0.10 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2jbg h LYS 497 Cb 0.04 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2jbg h LYS 497 CO -0.08 0.11 0.52 -0.22 -0.57 0.00 0.00 179.45 179.22 2jbg h LYS 498 N 0.08 1.04 0.24 3.15 3.11 -1.10 -1.53 116.57 121.55 2jbg h LYS 498 Ca 0.03 -0.06 0.01 0.00 -2.81 0.00 0.00 60.65 57.82 2jbg h LYS 498 Cb 0.03 -0.23 -0.04 0.00 -1.00 0.00 0.00 32.23 30.99 2jbg h LYS 498 CO -0.01 0.69 -0.41 0.35 -2.81 0.00 0.00 179.45 177.27 2jbg h PHE 499 N 1.07 -1.12 -0.10 1.91 3.57 0.24 -1.24 116.94 121.26 2jbg h PHE 499 Ca 0.29 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 2jbg h PHE 499 Cb -0.12 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2jbg h PHE 499 CO -0.02 -0.53 -0.10 -1.49 -2.23 0.00 0.00 178.31 173.95 2jbg h TRP 500 N -0.72 0.15 -0.32 0.41 4.06 -1.14 -1.69 115.95 116.70 2jbg h TRP 500 Ca -0.00 -0.01 -0.13 0.00 2.06 0.00 0.00 58.89 60.81 2jbg h TRP 500 Cb 0.70 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.80 2jbg h TRP 500 CO -0.30 0.25 -0.31 0.93 -3.56 0.00 0.00 178.44 175.44 2jbg h GLU 501 N 0.14 0.69 -0.60 0.49 5.08 -0.85 -2.30 114.58 117.23 2jbg h GLU 501 Ca 0.03 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 2jbg h GLU 501 Cb 0.27 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2jbg h GLU 501 CO 0.01 0.91 0.14 0.93 -1.00 0.00 0.00 179.01 180.01 2jbg h GLU 502 N 0.59 0.96 -0.54 2.33 4.39 -0.45 -2.73 114.58 119.12 2jbg h GLU 502 Ca 0.07 -0.23 0.05 0.00 0.34 0.00 0.00 59.36 59.59 2jbg h GLU 502 Cb 0.82 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.30 2jbg h GLU 502 CO 0.07 0.88 0.26 0.28 -1.16 0.00 0.00 179.01 179.34 2jbg h VAL 503 N 0.87 0.93 0.00 3.13 2.07 -1.06 -0.94 116.25 121.25 2jbg h VAL 503 Ca 0.19 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2jbg h VAL 503 Cb 0.35 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2jbg h VAL 503 CO 0.00 0.09 -0.02 0.77 0.02 0.00 0.00 177.57 178.43 2jbg h SER 504 N 0.51 0.00 0.76 0.57 4.64 -1.13 -2.13 113.55 116.78 2jbg h SER 504 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2jbg h SER 504 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2jbg h SER 504 CO -0.18 0.02 -0.82 0.29 -0.87 0.00 0.00 176.83 175.27 2jbg n LYS 505 N -3.38 0.36 -2.79 4.77 5.02 -0.40 -4.77 118.16 116.97 2jbg n LYS 505 Ca -0.02 0.07 -0.43 0.00 -2.02 0.00 0.00 58.31 55.90 2jbg n LYS 505 Cb 0.13 -1.69 -0.04 0.00 -0.02 0.00 0.00 35.03 33.42 2jbg n LYS 505 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2jbg s ASP 506 N -4.37 6.53 0.28 4.39 -1.08 -0.80 -4.93 116.67 116.68 2jbg s ASP 506 Ca 0.04 0.19 0.01 0.00 -0.52 0.00 0.00 52.55 52.28 2jbg s ASP 506 Cb 0.13 -2.46 0.61 0.00 -1.46 0.00 0.00 42.92 39.73 2jbg s ASP 506 CO 0.76 -1.06 1.76 -0.65 0.52 0.00 0.00 175.17 176.49 2jbg h PRO 507 N 9.05 0.61 0.00 4.34 0.11 -1.86 0.96 132.00 145.21 2jbg h PRO 507 Ca -0.24 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.78 2jbg h PRO 507 Cb 1.07 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 2jbg h PRO 507 CO 1.04 0.40 -0.27 0.93 -0.21 0.00 0.00 178.00 179.89 2jbg h GLU 508 N 0.63 0.00 0.02 1.05 5.08 -1.94 -2.86 114.58 116.56 2jbg h GLU 508 Ca 0.50 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.56 2jbg h GLU 508 Cb 0.76 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 2jbg h GLU 508 CO -0.39 0.27 -1.68 1.28 -1.00 0.00 0.00 179.01 177.49 2jbg n LEU 509 N -3.98 2.05 -0.31 1.33 4.77 -0.51 -4.39 117.00 115.95 2jbg n LEU 509 Ca -0.02 0.35 0.10 0.00 -0.03 0.00 0.00 56.01 56.41 2jbg n LEU 509 Cb 0.34 -0.96 0.26 0.00 -2.33 0.00 0.00 43.42 40.73 2jbg n LEU 509 CO 0.36 0.45 1.10 0.77 -1.33 0.00 0.00 177.39 178.74 2jbg h SER 510 N -0.79 0.52 0.00 -1.43 4.64 -0.90 0.33 113.55 115.91 2jbg h SER 510 Ca -0.44 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2jbg h SER 510 Cb 1.51 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 2jbg h SER 510 CO -0.20 0.17 0.00 0.07 -0.87 0.00 0.00 176.83 176.00 2jbg h LYS 511 N 0.59 0.00 -0.01 4.77 2.10 -1.71 0.12 116.57 122.43 2jbg h LYS 511 Ca 0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.16 2jbg h LYS 511 Cb 0.80 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 2jbg h LYS 511 CO -0.41 0.00 -0.02 1.04 -2.00 0.00 0.00 179.45 178.06 2jbg n GLN 512 N -2.42 1.11 -4.36 0.07 6.02 0.12 -4.86 117.38 113.07 2jbg n GLN 512 Ca -0.02 -0.34 -0.24 0.00 -0.01 0.00 0.00 57.00 56.39 2jbg n GLN 512 Cb 0.04 -1.49 -0.12 0.00 1.02 0.00 0.00 30.24 29.69 2jbg n GLN 512 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2jbg s PHE 513 N -2.12 1.98 0.94 1.08 0.08 0.41 -5.08 117.98 115.27 2jbg s PHE 513 Ca 0.40 -0.43 -0.12 0.00 0.12 0.00 0.00 56.93 56.91 2jbg s PHE 513 Cb 0.21 -1.00 0.15 0.00 -0.57 0.00 0.00 43.02 41.82 2jbg s PHE 513 CO 0.39 0.37 1.10 -1.54 -0.10 0.00 0.00 175.22 175.44 2jbg s SER 514 N -2.57 3.16 0.23 1.36 1.04 -1.26 -4.78 113.70 110.89 2jbg s SER 514 Ca 0.16 1.26 -0.07 0.00 0.48 0.00 0.00 55.95 57.79 2jbg s SER 514 Cb -0.07 -1.93 0.27 0.00 0.10 0.00 0.00 66.02 64.39 2jbg s SER 514 CO 0.07 -2.81 1.88 0.03 0.98 0.00 0.00 173.24 173.40 2jbg h ARG 515 N -1.67 1.05 -0.06 4.02 3.08 -1.99 -0.80 114.38 118.01 2jbg h ARG 515 Ca -0.52 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.38 2jbg h ARG 515 Cb 1.31 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 2jbg h ARG 515 CO 0.57 0.70 -0.39 -0.91 -1.07 0.00 0.00 179.97 178.87 2jbg h ASN 516 N 1.09 0.14 1.01 7.04 4.21 -2.00 -1.84 115.58 125.23 2jbg h ASN 516 Ca 0.35 -0.05 -0.21 0.00 1.21 0.00 0.00 56.30 57.60 2jbg h ASN 516 Cb 0.01 -0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 37.14 2jbg h ASN 516 CO -0.12 0.52 -0.98 0.78 -1.29 0.00 0.00 177.43 176.34 2jbg h ASN 517 N 0.12 0.00 -0.39 5.81 2.35 -1.80 -3.06 115.58 118.61 2jbg h ASN 517 Ca 0.01 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 2jbg h ASN 517 Cb 0.74 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 2jbg h ASN 517 CO 0.06 0.98 -0.17 0.78 -1.65 0.00 0.00 177.43 177.43 2jbg h ASN 518 N 0.00 0.82 -0.94 5.81 4.21 -0.88 -2.24 115.58 122.36 2jbg h ASN 518 Ca -0.01 -0.40 0.06 0.00 1.21 0.00 0.00 56.30 57.17 2jbg h ASN 518 Cb 1.75 -0.23 -0.06 0.00 -1.12 0.00 0.00 38.32 38.66 2jbg h ASN 518 CO 0.13 1.03 0.61 0.44 -1.29 0.00 0.00 177.43 178.35 2jbg h ASP 519 N 0.60 0.95 -0.10 5.81 3.32 -1.39 0.13 116.42 125.75 2jbg h ASP 519 Ca 0.09 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2jbg h ASP 519 Cb 0.71 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 2jbg h ASP 519 CO 0.05 0.61 0.03 0.03 -1.72 0.00 0.00 179.24 178.24 2jbg h ARG 520 N 1.08 0.15 -0.27 3.56 3.08 -1.39 -2.94 114.38 117.66 2jbg h ARG 520 Ca 0.40 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.39 2jbg h ARG 520 Cb 0.18 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2jbg h ARG 520 CO -0.15 0.32 0.04 0.52 -1.07 0.00 0.00 179.97 179.62 2jbg h MET 521 N -0.04 0.39 0.00 0.04 2.86 -0.93 -1.47 114.93 115.78 2jbg h MET 521 Ca 0.03 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2jbg h MET 521 Cb 0.23 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 2jbg h MET 521 CO -0.00 0.39 -0.06 -0.22 1.06 0.00 0.00 176.91 178.08 2jbg h LYS 522 N 0.38 0.00 -0.72 1.72 1.63 -0.80 -1.72 116.57 117.06 2jbg h LYS 522 Ca 0.09 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 2jbg h LYS 522 Cb 0.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 2jbg h LYS 522 CO 0.00 0.06 0.00 1.33 -3.45 0.00 0.00 179.45 177.39 2jbg n VAL 523 N -4.26 1.05 -0.42 2.00 0.24 -0.73 -4.83 118.33 111.37 2jbg n VAL 523 Ca -0.03 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.29 2jbg n VAL 523 Cb 0.14 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 2jbg n VAL 523 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jbg n GLY 524 N 1.59 0.77 3.82 7.63 0.00 -0.66 -5.03 105.19 113.31 2jbg n GLY 524 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 2jbg n GLY 524 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jbg s LYS 525 N -0.58 3.24 0.44 1.61 1.02 -0.63 -4.05 119.74 120.78 2jbg s LYS 525 Ca 0.00 -0.34 -0.24 0.00 0.02 0.00 0.00 55.97 55.41 2jbg s LYS 525 Cb 0.00 -3.00 -0.08 0.00 -0.52 0.00 0.00 37.83 34.24 2jbg s LYS 525 CO 0.00 0.70 1.22 0.00 -0.92 0.00 0.00 175.35 176.35 2jbg s ALA 526 N -1.13 3.08 0.69 5.17 0.00 -1.26 -2.51 121.76 125.80 2jbg s ALA 526 Ca 0.20 1.06 -0.15 0.00 0.00 0.00 0.00 51.96 53.07 2jbg s ALA 526 Cb -0.12 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.59 2jbg s ALA 526 CO 0.10 -0.74 1.16 -1.25 0.00 0.00 0.00 175.76 175.03 2jbg s PRO 527 N -2.49 2.50 0.36 0.00 0.04 -1.26 -4.71 135.00 129.45 2jbg s PRO 527 Ca 0.61 1.59 -0.26 0.00 0.04 0.00 0.00 61.00 62.98 2jbg s PRO 527 Cb -0.33 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 2jbg s PRO 527 CO 0.41 -1.52 1.09 0.15 0.04 0.00 0.00 177.00 177.17 2jbg s LYS 528 N -3.94 4.29 0.72 4.56 -0.14 -1.26 -1.74 119.74 122.21 2jbg s LYS 528 Ca 0.71 1.67 -0.03 0.00 -1.36 0.00 0.00 55.97 56.96 2jbg s LYS 528 Cb -0.25 -2.77 0.11 0.00 -1.68 0.00 0.00 37.83 33.23 2jbg s LYS 528 CO 0.42 -0.07 1.00 0.95 -0.76 0.00 0.00 175.35 176.89 2jbg s THR 529 N -1.45 2.24 0.65 2.17 -4.23 -0.59 -4.81 115.64 109.63 2jbg s THR 529 Ca 0.53 -0.48 -0.15 0.00 -1.18 0.00 0.00 61.69 60.42 2jbg s THR 529 Cb -0.27 -2.76 -0.00 0.00 1.34 0.00 0.00 72.50 70.81 2jbg s THR 529 CO 0.34 0.00 1.10 -0.13 -0.54 0.00 0.00 174.62 175.39 2jbg s ARG 530 N -5.18 2.89 0.30 3.99 0.52 -1.26 -4.90 118.95 115.30 2jbg s ARG 530 Ca 0.65 1.32 0.05 0.00 -0.52 0.00 0.00 55.73 57.22 2jbg s ARG 530 Cb -0.07 -1.97 0.68 0.00 0.52 0.00 0.00 34.95 34.11 2jbg s ARG 530 CO 0.44 -1.17 1.81 1.15 0.02 0.00 0.00 175.30 177.55 2jbg h THR 531 N 0.02 0.79 0.00 0.02 2.02 -1.96 -0.27 112.91 113.53 2jbg h THR 531 Ca -0.46 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.42 2jbg h THR 531 Cb 1.24 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2jbg h THR 531 CO 0.55 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.59 2jbg n GLN 532 N -4.69 0.06 0.00 6.66 10.64 -1.26 -2.64 117.38 126.14 2jbg n GLN 532 Ca 0.21 0.40 0.07 0.00 -1.83 0.00 0.00 57.00 55.86 2jbg n GLN 532 Cb 0.49 -1.63 0.02 0.00 -0.86 0.00 0.00 30.24 28.26 2jbg n GLN 532 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2jbg n ASP 533 N -1.74 1.78 -4.56 2.61 8.00 -0.12 -5.01 116.55 117.51 2jbg n ASP 533 Ca 0.02 -1.39 -0.29 0.00 0.71 0.00 0.00 54.79 53.83 2jbg n ASP 533 Cb 0.12 0.31 0.16 0.00 -0.02 0.00 0.00 41.12 41.69 2jbg n ASP 533 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2jbg s VAL 534 N -1.60 1.94 -0.32 2.53 -7.23 -1.08 -2.26 120.40 112.37 2jbg s VAL 534 Ca 0.14 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.32 2jbg s VAL 534 Cb 0.12 -2.70 0.15 0.00 0.56 0.00 0.00 36.38 34.51 2jbg s VAL 534 CO 0.31 0.00 0.34 -0.55 -0.31 0.00 0.00 175.10 174.89 2jbg s SER 535 N -4.01 1.32 1.71 4.85 0.15 0.10 -4.35 113.70 113.47 2jbg s SER 535 Ca 0.66 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 56.24 2jbg s SER 535 Cb -0.14 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2jbg s SER 535 CO 0.54 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2jbg n GLY 536 N 4.85 2.99 0.02 9.45 0.00 -1.26 -1.64 105.19 119.61 2jbg n GLY 536 Ca 0.04 -0.20 0.15 0.00 0.00 0.00 0.00 46.02 46.01 2jbg n GLY 536 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jbg n LYS 537 N 13.41 0.44 -2.93 1.61 5.02 -1.26 -4.60 118.16 129.85 2jbg n LYS 537 Ca 0.00 -0.03 -0.44 0.00 -2.02 0.00 0.00 58.31 55.82 2jbg n LYS 537 Cb 0.00 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 2jbg n LYS 537 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jbg s ARG 538 N -2.59 3.14 0.00 1.97 0.52 -0.65 -4.83 118.95 116.51 2jbg s ARG 538 Ca 0.28 -1.04 0.03 0.00 -0.52 0.00 0.00 55.73 54.47 2jbg s ARG 538 Cb 0.20 -4.30 0.07 0.00 0.52 0.00 0.00 34.95 31.44 2jbg s ARG 538 CO 0.47 -1.74 1.03 0.25 0.02 0.00 0.00 175.30 175.33 2jbg n THR 539 N 5.78 0.94 -4.23 0.02 -2.24 -1.26 -0.72 114.28 112.56 2jbg n THR 539 Ca -0.03 -0.97 -0.17 0.00 -2.27 0.00 0.00 64.05 60.61 2jbg n THR 539 Cb 0.45 0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 69.10 2jbg n THR 539 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2jbg s SER 540 N -0.95 1.91 0.48 3.42 1.04 -1.26 -1.54 113.70 116.81 2jbg s SER 540 Ca 0.05 -0.81 -0.22 0.00 0.48 0.00 0.00 55.95 55.45 2jbg s SER 540 Cb 0.03 -0.06 -0.09 0.00 0.10 0.00 0.00 66.02 66.00 2jbg s SER 540 CO 0.04 -0.16 0.93 0.49 0.98 0.00 0.00 173.24 175.52 2jbg n PHE 541 N 0.54 0.83 -4.42 5.02 3.72 -0.71 -4.44 117.46 118.00 2jbg n PHE 541 Ca -0.16 0.51 -0.22 0.00 -0.05 0.00 0.00 57.45 57.54 2jbg n PHE 541 Cb 0.57 -2.17 -0.10 0.00 -0.94 0.00 0.00 39.48 36.84 2jbg n PHE 541 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2jbg s GLU 542 N -2.20 1.54 -0.22 -1.08 2.02 0.58 -4.82 118.70 114.52 2jbg s GLU 542 Ca 0.67 -1.71 -0.08 0.00 0.02 0.00 0.00 54.97 53.87 2jbg s GLU 542 Cb -0.51 -1.47 -0.04 0.00 0.10 0.00 0.00 34.13 32.21 2jbg s GLU 542 CO 0.54 0.24 0.09 -0.51 0.02 0.00 0.00 175.26 175.65 2jbg s LEU 543 N -3.43 3.74 -0.11 1.80 1.43 -1.26 -0.99 118.68 119.84 2jbg s LEU 543 Ca 0.27 -0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.30 2jbg s LEU 543 Cb -0.02 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2jbg s LEU 543 CO 0.12 0.06 0.04 -2.28 0.23 0.00 0.00 176.35 174.52 2jbg s HIS 544 N 1.05 3.25 -0.11 0.29 5.65 0.57 -4.93 115.29 121.07 2jbg s HIS 544 Ca 0.05 0.21 -0.11 0.00 0.25 0.00 0.00 55.06 55.46 2jbg s HIS 544 Cb -0.14 -1.88 -0.05 0.00 -1.18 0.00 0.00 32.58 29.33 2jbg s HIS 544 CO 0.03 0.43 0.24 -1.01 -0.65 0.00 0.00 174.74 173.78 2jbg s HIS 545 N -0.60 3.59 -2.09 3.88 3.76 -1.26 -1.40 115.29 121.16 2jbg s HIS 545 Ca 0.11 0.64 0.17 0.00 -0.15 0.00 0.00 55.06 55.83 2jbg s HIS 545 Cb -0.12 -2.13 0.14 0.00 1.11 0.00 0.00 32.58 31.58 2jbg s HIS 545 CO 0.02 0.57 1.04 -1.91 -0.85 0.00 0.00 174.74 173.61 2jbg n GLU 546 N 2.41 1.37 0.00 1.40 2.13 0.15 -5.01 120.64 123.08 2jbg n GLU 546 Ca -0.16 -1.52 0.00 0.00 0.66 0.00 0.00 57.16 56.13 2jbg n GLU 546 Cb 0.53 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.92 2jbg n GLU 546 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2jbg n VAL 555 N 0.95 0.00 -1.42 6.31 0.24 -1.26 -5.10 118.33 118.05 2jbg n VAL 555 Ca 0.10 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.47 2jbg n VAL 555 Cb 0.42 0.00 0.18 0.00 -1.47 0.00 0.00 33.84 32.97 2jbg n VAL 555 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jbg n TYR 556 N -0.07 0.00 -2.66 6.34 4.02 -1.26 -4.97 117.16 118.56 2jbg n TYR 556 Ca 0.00 -1.27 -0.42 0.00 -0.01 0.00 0.00 57.90 56.20 2jbg n TYR 556 Cb 0.00 -0.21 -0.03 0.00 -0.02 0.00 0.00 39.34 39.08 2jbg n TYR 556 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2jbg s ASP 557 N -3.05 6.29 0.56 7.72 2.15 -1.26 -1.91 116.67 127.17 2jbg s ASP 557 Ca 0.35 -0.33 0.37 0.00 0.43 0.00 0.00 52.55 53.37 2jbg s ASP 557 Cb 0.33 -2.51 1.89 0.00 -0.30 0.00 0.00 42.92 42.33 2jbg s ASP 557 CO -0.03 -1.55 2.12 0.24 -0.17 0.00 0.00 175.17 175.78 2jbg h MET 558 N 9.67 0.00 0.00 4.34 2.86 -1.01 -0.99 114.93 129.80 2jbg h MET 558 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2jbg h MET 558 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 2jbg h MET 558 CO 1.20 0.00 -0.05 -0.25 1.06 0.00 0.00 176.91 178.87 2jbg n ASP 559 N -2.89 0.36 -0.31 1.22 10.43 -1.26 -3.05 116.55 121.06 2jbg n ASP 559 Ca -0.02 0.47 0.05 0.00 2.57 0.00 0.00 54.79 57.87 2jbg n ASP 559 Cb 0.13 -0.54 0.01 0.00 1.84 0.00 0.00 41.12 42.56 2jbg n ASP 559 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2jbg n ALA 560 N -1.62 2.74 -2.83 2.24 0.00 -0.41 -4.99 120.51 115.65 2jbg n ALA 560 Ca 0.06 -0.49 -0.36 0.00 0.00 0.00 0.00 53.44 52.64 2jbg n ALA 560 Cb 0.38 -0.38 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2jbg n ALA 560 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jbg s ILE 561 N -1.26 5.48 0.09 0.00 1.01 -1.03 -0.68 121.20 124.81 2jbg s ILE 561 Ca 0.10 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.96 2jbg s ILE 561 Cb 0.09 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 2jbg s ILE 561 CO 0.23 0.56 -0.02 -0.94 0.00 0.00 0.00 174.94 174.77 2jbg s SER 562 N -0.60 0.71 -0.23 3.58 1.04 -0.49 -3.84 113.70 113.87 2jbg s SER 562 Ca 0.13 -1.05 -0.09 0.00 0.48 0.00 0.00 55.95 55.43 2jbg s SER 562 Cb -0.12 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 2jbg s SER 562 CO 0.02 -0.58 0.11 -0.69 0.98 0.00 0.00 173.24 173.08 2jbg s VAL 563 N -3.83 4.90 0.07 5.02 1.01 0.21 -0.31 120.40 127.46 2jbg s VAL 563 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2jbg s VAL 563 Cb 0.07 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2jbg s VAL 563 CO -0.06 0.37 -0.05 0.68 0.00 0.00 0.00 175.10 176.05 2jbg s VAL 564 N 1.04 0.45 0.65 2.92 -7.23 -0.16 -0.51 120.40 117.56 2jbg s VAL 564 Ca 0.06 -1.79 -0.11 0.00 -1.81 0.00 0.00 61.98 58.33 2jbg s VAL 564 Cb -0.14 -1.49 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 2jbg s VAL 564 CO 0.04 -0.88 1.04 0.42 -0.31 0.00 0.00 175.10 175.41 2jbg s THR 565 N -3.53 4.42 0.14 5.32 -4.23 -0.61 -0.31 115.64 116.85 2jbg s THR 565 Ca 0.07 0.79 -0.18 0.00 -1.18 0.00 0.00 61.69 61.19 2jbg s THR 565 Cb 0.05 -3.69 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 2jbg s THR 565 CO -0.07 -1.03 1.79 -0.65 -0.54 0.00 0.00 174.62 174.12 2jbg h PRO 566 N -0.47 0.36 -0.44 3.99 0.11 -1.77 -0.72 132.00 133.06 2jbg h PRO 566 Ca -0.44 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.71 2jbg h PRO 566 Cb 1.20 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 2jbg h PRO 566 CO 0.60 0.24 0.15 -0.22 -0.21 0.00 0.00 178.00 178.56 2jbg h LYS 567 N 0.37 0.30 -0.48 1.05 3.64 -1.65 -1.86 116.57 117.94 2jbg h LYS 567 Ca 0.12 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 2jbg h LYS 567 Cb -0.01 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2jbg h LYS 567 CO -0.05 0.20 -0.17 -0.09 -2.27 0.00 0.00 179.45 177.08 2jbg h ARG 568 N 0.31 0.94 -0.87 1.90 9.65 -1.80 -2.86 114.38 121.64 2jbg h ARG 568 Ca 0.21 -0.37 0.05 0.00 -1.10 0.00 0.00 59.98 58.77 2jbg h ARG 568 Cb 0.21 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.68 2jbg h ARG 568 CO -0.22 1.03 0.56 1.25 2.80 0.00 0.00 179.97 185.38 2jbg h HIS 569 N 0.82 1.04 -0.29 2.20 2.76 -0.63 0.74 115.15 121.79 2jbg h HIS 569 Ca 0.12 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 2jbg h HIS 569 Cb 0.72 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 2jbg h HIS 569 CO 0.04 0.56 0.09 0.82 -1.30 0.00 0.00 177.93 178.15 2jbg h ILE 570 N 1.05 1.20 -0.83 6.26 2.04 -1.24 -2.86 117.51 123.14 2jbg h ILE 570 Ca 0.36 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2jbg h ILE 570 Cb 0.08 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 2jbg h ILE 570 CO -0.14 0.22 0.41 0.44 0.00 0.00 0.00 178.15 179.07 2jbg h ASP 571 N 0.31 1.07 -0.13 1.72 3.45 -1.18 -2.77 116.42 118.90 2jbg h ASP 571 Ca 0.09 -0.12 0.04 0.00 0.43 0.00 0.00 57.03 57.47 2jbg h ASP 571 Cb 0.25 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 38.71 2jbg h ASP 571 CO -0.00 0.89 -0.11 0.40 -1.57 0.00 0.00 179.24 178.86 2jbg h ILE 572 N 1.17 0.70 0.00 0.35 2.04 -0.72 0.42 117.51 121.47 2jbg h ILE 572 Ca 0.29 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.15 2jbg h ILE 572 Cb 0.10 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2jbg h ILE 572 CO -0.04 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.52 2jbg n HIS 573 N -5.25 0.00 -0.50 1.37 8.25 -1.06 -1.88 115.22 116.15 2jbg n HIS 573 Ca -0.03 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.48 2jbg n HIS 573 Cb 0.17 -0.03 0.12 0.00 1.12 0.00 0.00 29.99 31.37 2jbg n HIS 573 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2jbg n ARG 574 N -1.03 2.53 -0.84 -0.41 1.74 -0.05 -4.97 116.66 113.62 2jbg n ARG 574 Ca 0.11 -2.16 0.00 0.00 -0.77 0.00 0.00 57.85 55.03 2jbg n ARG 574 Cb 0.06 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 2jbg n ARG 574 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jbg n GLY 575 N -0.50 1.29 0.52 -0.13 0.00 -0.79 -5.04 105.19 100.55 2jbg n GLY 575 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 2jbg n GLY 575 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60