#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkl n GLY 451 N 0.00 -1.51 3.03 -1.23 0.00 -1.23 -3.72 105.19 100.53 3gkl n GLY 451 Ca 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 3gkl n GLY 451 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gkl s LYS 452 N -0.79 0.46 -0.06 1.61 -0.14 -1.26 -1.70 119.74 117.86 3gkl s LYS 452 Ca 0.00 -0.86 0.03 0.00 -1.36 0.00 0.00 55.97 53.79 3gkl s LYS 452 Cb 0.00 0.08 -0.02 0.00 -1.68 0.00 0.00 37.83 36.21 3gkl s LYS 452 CO 0.00 -0.06 -0.15 0.00 -0.76 0.00 0.00 175.35 174.38 3gkl s ALA 453 N -2.35 2.61 0.18 5.17 0.00 -1.26 -0.58 121.76 125.53 3gkl s ALA 453 Ca -0.07 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 50.95 3gkl s ALA 453 Cb -0.03 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 3gkl s ALA 453 CO -0.04 0.51 -0.04 0.95 0.00 0.00 0.00 175.76 177.14 3gkl s THR 454 N -0.55 0.96 0.00 0.00 -4.23 -1.06 -4.41 115.64 106.35 3gkl s THR 454 Ca 0.08 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3gkl s THR 454 Cb -0.11 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.65 3gkl s THR 454 CO 0.01 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.16 3gkl n GLY 455 N -0.27 3.74 0.14 3.99 0.00 -1.26 -0.69 105.19 110.83 3gkl n GLY 455 Ca -0.08 -1.73 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 3gkl n GLY 455 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gkl n LYS 456 N -1.37 0.72 0.00 1.61 5.02 -1.26 -4.79 118.16 118.09 3gkl n LYS 456 Ca 0.00 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 3gkl n LYS 456 Cb 0.00 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 3gkl n LYS 456 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gkl n GLY 457 N 2.05 -0.98 3.13 0.72 0.00 -1.26 -4.20 105.19 104.64 3gkl n GLY 457 Ca -0.36 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 3gkl n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gkl s LYS 458 N 0.00 0.61 0.28 1.61 1.02 -0.03 -4.65 119.74 118.58 3gkl s LYS 458 Ca 0.00 -0.74 -0.29 0.00 0.02 0.00 0.00 55.97 54.96 3gkl s LYS 458 Cb 0.00 0.24 -0.10 0.00 -0.52 0.00 0.00 37.83 37.45 3gkl s LYS 458 CO 0.00 -0.16 1.11 -1.25 -0.92 0.00 0.00 175.35 174.13 3gkl s PRO 459 N -2.62 4.63 0.15 -1.68 0.04 -1.26 -0.02 135.00 134.24 3gkl s PRO 459 Ca -0.05 1.82 0.02 0.00 0.04 0.00 0.00 61.00 62.83 3gkl s PRO 459 Cb -0.01 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 3gkl s PRO 459 CO -0.05 0.20 -0.02 0.14 0.04 0.00 0.00 177.00 177.32 3gkl s VAL 460 N -1.16 0.64 0.00 -0.36 -7.23 -1.26 -4.93 120.40 106.10 3gkl s VAL 460 Ca 0.45 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 3gkl s VAL 460 Cb -0.32 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.65 3gkl s VAL 460 CO 0.41 -0.60 0.00 -0.46 -0.31 0.00 0.00 175.10 174.14 3gkl n ASN 461 N -0.17 0.00 -0.65 4.85 2.04 -1.26 -4.99 115.26 115.08 3gkl n ASN 461 Ca -0.08 0.00 0.06 0.00 -0.44 0.00 0.00 54.58 54.12 3gkl n ASN 461 Cb 0.62 0.00 0.15 0.00 -2.53 0.00 0.00 39.78 38.02 3gkl n ASN 461 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 3gkl n ASN 462 N 0.00 2.84 -2.35 0.53 6.94 -1.26 -3.84 115.26 118.12 3gkl n ASN 462 Ca 0.00 -1.93 -0.18 0.00 -0.02 0.00 0.00 54.58 52.45 3gkl n ASN 462 Cb 0.00 -0.21 0.02 0.00 -2.36 0.00 0.00 39.78 37.23 3gkl n ASN 462 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3gkl n LYS 463 N 0.59 2.96 -0.13 -3.83 5.02 -1.26 -4.88 118.16 116.62 3gkl n LYS 463 Ca 0.12 -4.01 -0.03 0.00 -2.02 0.00 0.00 58.31 52.36 3gkl n LYS 463 Cb 0.42 -2.04 -0.03 0.00 -0.02 0.00 0.00 35.03 33.36 3gkl n LYS 463 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 3gkl n TRP 464 N -0.58 -0.14 0.20 2.13 -0.00 -1.25 -0.71 117.44 117.08 3gkl n TRP 464 Ca 0.32 0.39 0.03 0.00 -0.00 0.00 0.00 57.50 58.25 3gkl n TRP 464 Cb 0.86 -0.45 0.18 0.00 -0.00 0.00 0.00 31.31 31.91 3gkl n TRP 464 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3gkl n LEU 465 N -3.95 3.07 0.05 5.87 4.77 -1.26 -4.16 117.00 121.39 3gkl n LEU 465 Ca 0.01 -1.56 -0.03 0.00 -0.03 0.00 0.00 56.01 54.41 3gkl n LEU 465 Cb 0.08 -0.56 0.22 0.00 -2.33 0.00 0.00 43.42 40.84 3gkl n LEU 465 CO -0.05 0.43 0.71 0.78 -1.33 0.00 0.00 177.39 177.92 3gkl h ASN 466 N 1.86 0.38 0.01 -1.43 2.35 -1.35 -2.64 115.58 114.76 3gkl h ASN 466 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3gkl h ASN 466 Cb 1.12 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.39 3gkl h ASN 466 CO 0.21 0.68 0.00 0.59 -1.65 0.00 0.00 177.43 177.26 3gkl n ASN 467 N -4.10 0.00 0.00 5.81 4.13 -1.26 -4.36 115.26 115.49 3gkl n ASN 467 Ca -0.01 -0.72 0.09 0.00 1.68 0.00 0.00 54.58 55.62 3gkl n ASN 467 Cb 0.43 -0.01 0.42 0.00 -1.54 0.00 0.00 39.78 39.08 3gkl n ASN 467 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gkl n ALA 468 N -1.01 1.91 0.22 5.41 0.00 -1.00 -2.41 120.51 123.64 3gkl n ALA 468 Ca 0.17 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.65 3gkl n ALA 468 Cb 0.08 -1.28 0.07 0.00 0.00 0.00 0.00 19.45 18.32 3gkl n ALA 468 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3gkl h GLY 469 N 2.90 0.00 -4.73 0.00 0.00 -1.82 -2.39 103.07 97.03 3gkl h GLY 469 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 3gkl h GLY 469 CO 0.00 0.00 -0.77 -1.59 0.00 0.00 0.00 176.54 174.18 3gkl s LYS 470 N -3.30 0.72 7.45 4.80 -2.85 -1.01 -4.71 119.74 120.84 3gkl s LYS 470 Ca 0.02 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.23 3gkl s LYS 470 Cb 0.09 -0.65 0.00 0.00 -2.06 0.00 0.00 37.83 35.21 3gkl s LYS 470 CO 0.75 0.15 0.00 -0.25 0.10 0.00 0.00 175.35 176.10 3gkl n ASP 471 N 1.68 0.00 -1.06 0.03 10.43 -1.26 -2.08 116.55 124.29 3gkl n ASP 471 Ca -0.20 0.00 0.11 0.00 2.57 0.00 0.00 54.79 57.27 3gkl n ASP 471 Cb 0.55 0.00 0.27 0.00 1.84 0.00 0.00 41.12 43.78 3gkl n ASP 471 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3gkl n LEU 472 N 0.00 3.12 0.00 0.64 4.77 -1.26 -4.95 117.00 119.32 3gkl n LEU 472 Ca 0.00 -1.47 0.00 0.00 -0.03 0.00 0.00 56.01 54.51 3gkl n LEU 472 Cb 0.00 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3gkl n LEU 472 CO 0.00 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3gkl n GLY 473 N 1.44 0.68 3.41 -0.72 0.00 -0.89 -4.44 105.19 104.68 3gkl n GLY 473 Ca 0.20 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 3gkl n GLY 473 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gkl s SER 474 N -4.00 3.59 0.70 1.61 0.01 -0.68 -4.41 113.70 110.52 3gkl s SER 474 Ca 0.00 -0.42 -0.11 0.00 1.31 0.00 0.00 55.95 56.72 3gkl s SER 474 Cb 0.00 -0.54 0.01 0.00 0.21 0.00 0.00 66.02 65.70 3gkl s SER 474 CO 0.00 0.28 1.07 -2.84 0.41 0.00 0.00 173.24 172.17 3gkl s PRO 475 N -1.13 2.90 0.11 12.44 0.02 -1.26 -0.45 135.00 147.63 3gkl s PRO 475 Ca 0.13 0.68 -0.31 0.00 0.02 0.00 0.00 61.00 61.51 3gkl s PRO 475 Cb -0.10 -2.01 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 3gkl s PRO 475 CO 0.03 -1.05 1.54 0.08 -0.33 0.00 0.00 177.00 177.27 3gkl s VAL 476 N -3.20 2.99 0.39 3.83 1.01 -1.25 -4.80 120.40 119.35 3gkl s VAL 476 Ca 0.58 0.62 -0.25 0.00 0.00 0.00 0.00 61.98 62.93 3gkl s VAL 476 Cb -0.12 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 3gkl s VAL 476 CO 0.54 0.03 1.07 -2.84 0.00 0.00 0.00 175.10 173.90 3gkl s PRO 477 N 1.71 4.20 0.14 2.72 0.02 -1.26 -0.85 135.00 141.67 3gkl s PRO 477 Ca 0.70 1.60 -0.18 0.00 0.02 0.00 0.00 61.00 63.14 3gkl s PRO 477 Cb -0.40 -2.64 0.03 0.00 0.02 0.00 0.00 34.50 31.51 3gkl s PRO 477 CO 0.31 -0.13 1.73 0.38 -0.33 0.00 0.00 177.00 178.95 3gkl h ASP 478 N 2.68 -0.03 -0.19 2.53 3.04 -0.61 -1.81 116.42 122.03 3gkl h ASP 478 Ca -0.48 0.05 0.06 0.00 -3.24 0.00 0.00 57.03 53.42 3gkl h ASP 478 Cb 1.22 0.08 -0.01 0.00 -1.04 0.00 0.00 39.33 39.58 3gkl h ASP 478 CO 0.63 0.02 0.23 0.03 -2.04 0.00 0.00 179.24 178.11 3gkl h ARG 479 N 0.14 0.00 0.20 4.15 3.08 -1.86 0.10 114.38 120.19 3gkl h ARG 479 Ca 0.14 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.89 3gkl h ARG 479 Cb 0.16 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.23 3gkl h ARG 479 CO -0.20 0.00 -1.37 0.82 -1.07 0.00 0.00 179.97 178.16 3gkl h ILE 480 N 0.00 1.24 0.05 2.04 1.08 -1.74 -3.26 117.51 116.93 3gkl h ILE 480 Ca 0.09 -2.59 -0.00 0.00 -0.39 0.00 0.00 64.86 61.97 3gkl h ILE 480 Cb 0.55 3.00 0.00 0.00 -3.07 0.00 0.00 36.82 37.30 3gkl h ILE 480 CO -0.00 0.79 -0.02 0.00 -0.69 0.00 0.00 178.15 178.22 3gkl h ALA 481 N 0.10 -0.07 -0.70 1.87 0.00 -0.54 -1.34 119.26 118.59 3gkl h ALA 481 Ca -0.25 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.78 3gkl h ALA 481 Cb 1.99 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 19.67 3gkl h ALA 481 CO 0.21 -0.53 -0.19 0.09 0.00 0.00 0.00 179.25 178.82 3gkl n ASN 482 N -5.12 -0.28 0.02 0.00 3.02 -0.06 -1.44 115.26 111.40 3gkl n ASN 482 Ca -0.07 1.21 -0.19 0.00 -0.03 0.00 0.00 54.58 55.50 3gkl n ASN 482 Cb 0.06 -0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 38.77 3gkl n ASN 482 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3gkl h LYS 483 N 0.00 0.69 0.00 3.52 1.79 -1.36 -3.31 116.57 117.90 3gkl h LYS 483 Ca 0.33 -0.69 -0.06 0.00 -2.18 0.00 0.00 60.65 58.05 3gkl h LYS 483 Cb 0.50 0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 3gkl h LYS 483 CO -0.72 1.28 -0.27 -0.07 -1.08 0.00 0.00 179.45 178.59 3gkl h LEU 484 N 0.37 0.00 0.00 2.94 3.38 -0.69 -2.94 115.31 118.37 3gkl h LEU 484 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3gkl h LEU 484 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 3gkl h LEU 484 CO 0.18 0.27 0.00 -2.11 0.09 0.00 0.00 178.44 176.87 3gkl n ARG 485 N -4.11 0.01 -0.13 1.13 1.85 -0.52 -1.47 116.66 113.41 3gkl n ARG 485 Ca -0.02 0.17 0.05 0.00 -1.00 0.00 0.00 57.85 57.05 3gkl n ARG 485 Cb 0.33 -1.50 0.16 0.00 -1.05 0.00 0.00 32.46 30.40 3gkl n ARG 485 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3gkl n ASP 486 N -1.49 1.45 -4.78 2.89 8.00 -1.11 -4.87 116.55 116.64 3gkl n ASP 486 Ca 0.05 -1.95 -0.23 0.00 0.71 0.00 0.00 54.79 53.37 3gkl n ASP 486 Cb 0.22 -0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 3gkl n ASP 486 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3gkl s LYS 487 N -1.66 2.38 0.06 -1.24 1.02 -0.54 -5.13 119.74 114.62 3gkl s LYS 487 Ca 0.20 -1.64 0.09 0.00 0.02 0.00 0.00 55.97 54.64 3gkl s LYS 487 Cb 0.11 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.21 3gkl s LYS 487 CO 0.14 -0.06 -0.24 -1.83 -0.92 0.00 0.00 175.35 172.44 3gkl s GLU 488 N -3.95 1.60 0.50 1.68 -1.05 -1.26 -4.63 118.70 111.59 3gkl s GLU 488 Ca 0.42 -1.08 0.01 0.00 -0.15 0.00 0.00 54.97 54.17 3gkl s GLU 488 Cb -0.00 -1.79 -0.01 0.00 -0.44 0.00 0.00 34.13 31.88 3gkl s GLU 488 CO 0.24 0.46 0.02 -0.06 0.95 0.00 0.00 175.26 176.87 3gkl s PHE 489 N -0.84 1.82 0.00 4.83 0.08 -0.69 -5.02 117.98 118.15 3gkl s PHE 489 Ca 0.10 -1.03 0.00 0.00 0.12 0.00 0.00 56.93 56.12 3gkl s PHE 489 Cb -0.10 -1.52 0.00 0.00 -0.57 0.00 0.00 43.02 40.83 3gkl s PHE 489 CO 0.02 0.12 0.06 1.63 -0.10 0.00 0.00 175.22 176.96 3gkl n LYS 490 N -1.22 3.58 -3.72 0.44 5.02 -1.26 -3.55 118.16 117.45 3gkl n LYS 490 Ca -0.18 -0.06 -0.01 0.00 -2.02 0.00 0.00 58.31 56.04 3gkl n LYS 490 Cb 0.67 -0.42 -0.00 0.00 -0.02 0.00 0.00 35.03 35.25 3gkl n LYS 490 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3gkl s SER 491 N -0.53 -0.09 0.47 4.39 0.01 -1.26 -4.63 113.70 112.06 3gkl s SER 491 Ca 0.00 -0.29 0.32 0.00 1.31 0.00 0.00 55.95 57.29 3gkl s SER 491 Cb 0.00 0.31 1.43 0.00 0.21 0.00 0.00 66.02 67.97 3gkl s SER 491 CO 0.00 -0.58 1.95 0.15 0.41 0.00 0.00 173.24 175.17 3gkl h PHE 492 N 2.00 0.00 0.02 2.43 3.57 -1.98 -0.84 116.94 122.14 3gkl h PHE 492 Ca -0.27 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.22 3gkl h PHE 492 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 3gkl h PHE 492 CO 0.50 0.00 -0.01 0.22 -2.23 0.00 0.00 178.31 176.79 3gkl h ASP 493 N 0.00 -0.03 -1.00 0.41 1.82 -1.99 -0.68 116.42 114.95 3gkl h ASP 493 Ca 0.00 -0.60 0.16 0.00 -0.39 0.00 0.00 57.03 56.20 3gkl h ASP 493 Cb 0.34 0.01 -0.10 0.00 0.68 0.00 0.00 39.33 40.26 3gkl h ASP 493 CO 0.00 0.60 0.62 -0.78 -1.61 0.00 0.00 179.24 178.07 3gkl h ASP 494 N -0.67 0.83 -0.46 2.28 3.58 -1.86 -1.78 116.42 118.33 3gkl h ASP 494 Ca -0.00 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 3gkl h ASP 494 Cb 0.62 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 3gkl h ASP 494 CO 0.01 0.36 0.21 0.15 -2.88 0.00 0.00 179.24 177.08 3gkl h PHE 495 N 0.84 0.68 -0.61 0.28 3.57 -1.06 -2.48 116.94 118.17 3gkl h PHE 495 Ca 0.55 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 62.02 3gkl h PHE 495 Cb 0.75 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 3gkl h PHE 495 CO -0.00 0.55 0.40 -0.09 -2.23 0.00 0.00 178.31 176.94 3gkl h ARG 496 N 0.60 0.78 -0.16 1.11 2.43 -0.50 -1.21 114.38 117.43 3gkl h ARG 496 Ca 0.16 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3gkl h ARG 496 Cb 0.14 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3gkl h ARG 496 CO -0.02 0.52 -0.01 0.87 -1.51 0.00 0.00 179.97 179.82 3gkl h LYS 497 N 0.80 0.30 -0.18 0.20 1.57 -1.31 -2.16 116.57 115.79 3gkl h LYS 497 Ca 0.23 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3gkl h LYS 497 Cb -0.07 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3gkl h LYS 497 CO -0.06 0.54 0.06 0.87 -0.57 0.00 0.00 179.45 180.29 3gkl h LYS 498 N 0.03 0.25 0.17 3.15 1.57 -1.42 -2.45 116.57 117.86 3gkl h LYS 498 Ca 0.04 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3gkl h LYS 498 Cb 0.41 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3gkl h LYS 498 CO 0.01 0.23 -0.13 0.35 -0.57 0.00 0.00 179.45 179.34 3gkl h PHE 499 N 0.25 -0.33 0.08 -1.35 3.57 -0.99 -2.60 116.94 115.58 3gkl h PHE 499 Ca 0.06 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3gkl h PHE 499 Cb 0.08 0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3gkl h PHE 499 CO 0.00 -0.20 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.36 3gkl h TRP 500 N -0.30 -0.10 -0.53 0.41 4.06 -1.25 -2.79 115.95 115.44 3gkl h TRP 500 Ca -0.01 -0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.00 3gkl h TRP 500 Cb 0.27 0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 28.39 3gkl h TRP 500 CO -0.10 -0.06 -0.28 0.39 -3.56 0.00 0.00 178.44 174.83 3gkl n GLU 501 N -5.13 -0.20 -0.17 0.49 1.02 -0.46 -1.69 120.64 114.50 3gkl n GLU 501 Ca -0.08 0.81 -0.03 0.00 -0.02 0.00 0.00 57.16 57.85 3gkl n GLU 501 Cb 0.07 -1.20 0.18 0.00 -0.02 0.00 0.00 31.44 30.47 3gkl n GLU 501 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3gkl h GLU 502 N 0.00 0.91 -1.00 3.49 4.39 -1.40 -2.63 114.58 118.34 3gkl h GLU 502 Ca 0.12 -0.16 0.03 0.00 0.34 0.00 0.00 59.36 59.69 3gkl h GLU 502 Cb 0.25 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.69 3gkl h GLU 502 CO -0.51 0.77 0.66 0.28 -1.16 0.00 0.00 179.01 179.04 3gkl h VAL 503 N 0.89 1.18 0.00 3.13 2.07 -1.05 -2.16 116.25 120.31 3gkl h VAL 503 Ca 0.21 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3gkl h VAL 503 Cb 0.22 -0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 3gkl h VAL 503 CO -0.01 0.23 -0.05 0.77 0.02 0.00 0.00 177.57 178.53 3gkl h SER 504 N 1.28 0.00 -0.00 0.57 4.64 -0.94 -3.06 113.55 116.03 3gkl h SER 504 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3gkl h SER 504 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3gkl h SER 504 CO -0.12 0.05 -0.84 0.29 -0.87 0.00 0.00 176.83 175.33 3gkl n LYS 505 N -3.25 0.63 -2.84 4.77 5.02 -0.83 -4.64 118.16 117.01 3gkl n LYS 505 Ca -0.01 -0.17 -0.42 0.00 -2.02 0.00 0.00 58.31 55.68 3gkl n LYS 505 Cb 0.24 -1.43 -0.04 0.00 -0.02 0.00 0.00 35.03 33.77 3gkl n LYS 505 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3gkl s ASP 506 N -2.77 6.75 0.28 4.39 -1.08 -1.10 -4.90 116.67 118.23 3gkl s ASP 506 Ca 0.09 0.78 0.16 0.00 -0.52 0.00 0.00 52.55 53.06 3gkl s ASP 506 Cb 0.15 -2.45 1.00 0.00 -1.46 0.00 0.00 42.92 40.16 3gkl s ASP 506 CO 0.76 -0.71 1.16 -2.65 0.52 0.00 0.00 175.17 174.25 3gkl n PRO 507 N 6.43 -0.04 0.00 4.34 -0.01 -1.26 -1.02 135.00 143.44 3gkl n PRO 507 Ca 0.06 1.01 0.09 0.00 -0.01 0.00 0.00 63.50 64.65 3gkl n PRO 507 Cb 0.48 -1.82 -0.09 0.00 -0.01 0.00 0.00 33.50 32.05 3gkl n PRO 507 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 3gkl n GLU 508 N -4.62 0.99 -0.13 -0.52 -0.58 -1.26 -3.34 120.64 111.19 3gkl n GLU 508 Ca 0.28 -0.09 -0.26 0.00 -0.42 0.00 0.00 57.16 56.68 3gkl n GLU 508 Cb 0.97 -1.37 -0.09 0.00 -0.57 0.00 0.00 31.44 30.39 3gkl n GLU 508 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3gkl n LEU 509 N -1.30 1.89 -0.40 -4.62 4.77 -0.85 -4.50 117.00 111.99 3gkl n LEU 509 Ca 0.04 0.33 0.34 0.00 -0.03 0.00 0.00 56.01 56.69 3gkl n LEU 509 Cb 0.30 -0.78 0.61 0.00 -2.33 0.00 0.00 43.42 41.22 3gkl n LEU 509 CO 0.36 0.43 1.17 0.77 -1.33 0.00 0.00 177.39 178.79 3gkl h SER 510 N -0.96 0.30 0.00 -1.43 4.64 -1.10 0.62 113.55 115.61 3gkl h SER 510 Ca -0.58 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3gkl h SER 510 Cb 1.50 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 3gkl h SER 510 CO -0.35 -0.26 0.08 0.07 -0.87 0.00 0.00 176.83 175.49 3gkl h LYS 511 N 0.08 0.00 0.00 4.77 2.10 -1.77 -2.93 116.57 118.82 3gkl h LYS 511 Ca 0.83 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.48 3gkl h LYS 511 Cb 2.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.73 3gkl h LYS 511 CO -0.56 0.00 -1.22 1.04 -2.00 0.00 0.00 179.45 176.72 3gkl n GLN 512 N -2.39 0.28 -4.07 0.07 6.02 0.21 -4.87 117.38 112.62 3gkl n GLN 512 Ca -0.02 -0.04 -0.35 0.00 -0.01 0.00 0.00 57.00 56.58 3gkl n GLN 512 Cb 0.11 -1.55 -0.09 0.00 1.02 0.00 0.00 30.24 29.74 3gkl n GLN 512 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3gkl s PHE 513 N -3.20 3.31 0.68 1.08 0.08 -1.11 -5.09 117.98 113.73 3gkl s PHE 513 Ca 0.03 0.21 -0.17 0.00 0.12 0.00 0.00 56.93 57.12 3gkl s PHE 513 Cb 0.15 -1.97 -0.06 0.00 -0.57 0.00 0.00 43.02 40.57 3gkl s PHE 513 CO 0.84 0.37 0.49 -1.13 -0.10 0.00 0.00 175.22 175.70 3gkl n SER 514 N 2.81 -1.29 -0.08 1.36 3.41 -1.26 -4.67 113.62 113.90 3gkl n SER 514 Ca -0.18 0.62 -0.10 0.00 -0.26 0.00 0.00 58.87 58.95 3gkl n SER 514 Cb 0.53 -1.19 -0.05 0.00 -0.26 0.00 0.00 64.21 63.25 3gkl n SER 514 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3gkl h ARG 515 N -0.21 -0.36 -0.19 4.33 1.12 -1.98 0.46 114.38 117.54 3gkl h ARG 515 Ca -0.45 0.02 0.01 0.00 -1.11 0.00 0.00 59.98 58.45 3gkl h ARG 515 Cb 1.36 0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 31.40 3gkl h ARG 515 CO 0.43 -0.24 0.13 -0.91 -3.11 0.00 0.00 179.97 176.27 3gkl h ASN 516 N -0.38 0.18 -0.32 -3.80 4.21 -1.99 -0.92 115.58 112.56 3gkl h ASN 516 Ca 0.12 -0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.48 3gkl h ASN 516 Cb 0.59 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.74 3gkl h ASN 516 CO -0.50 0.13 -0.38 0.78 -1.29 0.00 0.00 177.43 176.17 3gkl h ASN 517 N 0.21 0.88 -0.43 5.81 2.35 -1.35 -2.93 115.58 120.12 3gkl h ASN 517 Ca 0.08 -0.49 -0.00 0.00 -0.55 0.00 0.00 56.30 55.34 3gkl h ASN 517 Cb 0.05 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3gkl h ASN 517 CO -0.01 1.19 0.27 0.78 -1.65 0.00 0.00 177.43 178.00 3gkl h ASN 518 N 0.59 0.52 -0.83 5.81 4.21 -0.50 -2.21 115.58 123.18 3gkl h ASN 518 Ca 0.04 -0.02 0.02 0.00 1.21 0.00 0.00 56.30 57.55 3gkl h ASN 518 Cb 0.97 -0.13 -0.04 0.00 -1.12 0.00 0.00 38.32 37.99 3gkl h ASN 518 CO 0.09 0.41 0.54 -0.78 -1.29 0.00 0.00 177.43 176.40 3gkl h ASP 519 N 0.61 0.93 0.46 5.81 3.58 -1.14 -0.42 116.42 126.25 3gkl h ASP 519 Ca 0.16 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 3gkl h ASP 519 Cb -0.02 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.81 3gkl h ASP 519 CO -0.03 0.66 -0.22 0.03 -2.88 0.00 0.00 179.24 176.80 3gkl h ARG 520 N 1.09 -0.60 0.00 0.28 3.08 -1.23 -3.23 114.38 113.78 3gkl h ARG 520 Ca 0.31 0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 3gkl h ARG 520 Cb -0.08 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3gkl h ARG 520 CO -0.08 -0.33 -0.02 0.52 -1.07 0.00 0.00 179.97 178.98 3gkl h MET 521 N -0.77 0.00 -0.01 0.04 2.86 -1.09 -0.78 114.93 115.18 3gkl h MET 521 Ca -0.06 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 3gkl h MET 521 Cb 0.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 3gkl h MET 521 CO 0.10 0.02 -0.37 0.87 1.06 0.00 0.00 176.91 178.59 3gkl h LYS 522 N 0.00 0.02 -0.42 1.72 1.57 -1.09 -1.17 116.57 117.20 3gkl h LYS 522 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3gkl h LYS 522 Cb 0.12 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3gkl h LYS 522 CO 0.00 0.39 0.00 1.33 -0.57 0.00 0.00 179.45 180.61 3gkl n VAL 523 N -4.09 2.12 -0.41 0.50 0.24 -0.36 -4.77 118.33 111.56 3gkl n VAL 523 Ca -0.02 -1.51 0.00 0.00 -2.04 0.00 0.00 64.34 60.77 3gkl n VAL 523 Cb 0.41 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 3gkl n VAL 523 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gkl n GLY 524 N 0.23 0.79 3.85 7.63 0.00 -0.84 -5.02 105.19 111.84 3gkl n GLY 524 Ca 0.22 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3gkl n GLY 524 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gkl s LYS 525 N -0.62 3.83 0.29 1.61 1.02 -0.81 -4.31 119.74 120.75 3gkl s LYS 525 Ca 0.00 0.29 -0.29 0.00 0.02 0.00 0.00 55.97 55.99 3gkl s LYS 525 Cb 0.00 -3.14 -0.10 0.00 -0.52 0.00 0.00 37.83 34.08 3gkl s LYS 525 CO 0.00 0.65 1.24 0.00 -0.92 0.00 0.00 175.35 176.32 3gkl s ALA 526 N -1.19 3.47 -0.06 5.17 0.00 -1.26 -2.43 121.76 125.46 3gkl s ALA 526 Ca 0.27 1.11 -0.40 0.00 0.00 0.00 0.00 51.96 52.94 3gkl s ALA 526 Cb -0.15 -3.43 -0.18 0.00 0.00 0.00 0.00 23.12 19.35 3gkl s ALA 526 CO 0.14 -0.46 1.29 -0.35 0.00 0.00 0.00 175.76 176.38 3gkl n PRO 527 N 1.22 0.51 -1.58 0.00 -0.04 -1.26 -4.63 135.00 129.21 3gkl n PRO 527 Ca 0.01 0.18 -0.52 0.00 -0.04 0.00 0.00 63.50 63.13 3gkl n PRO 527 Cb 0.43 -1.75 -0.06 0.00 -0.04 0.00 0.00 33.50 32.08 3gkl n PRO 527 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3gkl n LYS 528 N 2.53 1.04 -1.42 0.54 4.76 -1.26 -1.41 118.16 122.93 3gkl n LYS 528 Ca 0.21 0.37 -0.29 0.00 -2.87 0.00 0.00 58.31 55.73 3gkl n LYS 528 Cb 0.11 -1.98 0.13 0.00 -1.84 0.00 0.00 35.03 31.44 3gkl n LYS 528 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3gkl s THR 529 N 0.34 2.46 1.02 -0.18 -4.23 -0.38 -4.83 115.64 109.84 3gkl s THR 529 Ca 0.83 0.15 -0.14 0.00 -1.18 0.00 0.00 61.69 61.35 3gkl s THR 529 Cb -0.97 -2.81 0.10 0.00 1.34 0.00 0.00 72.50 70.16 3gkl s THR 529 CO 0.48 -0.20 0.44 0.54 -0.54 0.00 0.00 174.62 175.35 3gkl n ARG 530 N -3.76 -0.94 0.24 3.99 1.74 -1.26 -4.90 116.66 111.77 3gkl n ARG 530 Ca 0.06 -0.24 0.11 0.00 -0.77 0.00 0.00 57.85 57.02 3gkl n ARG 530 Cb 0.57 -1.91 0.58 0.00 -1.02 0.00 0.00 32.46 30.68 3gkl n ARG 530 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3gkl h THR 531 N -1.88 0.58 0.00 0.55 1.35 -1.96 -3.23 112.91 108.32 3gkl h THR 531 Ca -0.48 -0.88 -0.14 0.00 -0.55 0.00 0.00 66.41 64.36 3gkl h THR 531 Cb 1.31 1.58 -0.02 0.00 -1.73 0.00 0.00 68.15 69.29 3gkl h THR 531 CO 0.38 0.18 -0.76 0.06 -0.25 0.00 0.00 175.52 175.13 3gkl h GLN 532 N 0.00 0.00 -0.75 4.72 3.07 -2.02 -2.19 115.11 117.94 3gkl h GLN 532 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3gkl h GLN 532 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.13 3gkl h GLN 532 CO 0.02 0.54 0.00 -0.25 0.09 0.00 0.00 178.83 179.23 3gkl n ASP 533 N -3.18 2.47 -4.80 0.06 8.00 -1.22 -4.96 116.55 112.91 3gkl n ASP 533 Ca -0.01 -2.27 -0.37 0.00 0.71 0.00 0.00 54.79 52.85 3gkl n ASP 533 Cb 0.79 -0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 3gkl n ASP 533 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gkl s VAL 534 N -1.63 4.49 -0.05 2.53 1.01 -0.83 -4.34 120.40 121.58 3gkl s VAL 534 Ca 0.19 1.43 -0.01 0.00 0.00 0.00 0.00 61.98 63.59 3gkl s VAL 534 Cb 0.14 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.61 3gkl s VAL 534 CO 0.07 0.28 0.03 -0.55 0.00 0.00 0.00 175.10 174.93 3gkl s SER 535 N -1.52 1.19 0.99 3.32 0.15 -0.49 -4.95 113.70 112.39 3gkl s SER 535 Ca 0.42 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.08 3gkl s SER 535 Cb -0.18 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 3gkl s SER 535 CO 0.22 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.06 3gkl n GLY 536 N 5.09 2.91 0.90 9.45 0.00 -1.26 -0.88 105.19 121.41 3gkl n GLY 536 Ca -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 3gkl n GLY 536 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gkl n LYS 537 N 14.00 1.37 -4.05 1.61 5.02 -1.26 -4.71 118.16 130.13 3gkl n LYS 537 Ca 0.00 -0.42 -0.32 0.00 -2.02 0.00 0.00 58.31 55.55 3gkl n LYS 537 Cb 0.00 -1.41 -0.15 0.00 -0.02 0.00 0.00 35.03 33.46 3gkl n LYS 537 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3gkl s ARG 538 N -0.88 2.16 0.00 1.97 0.52 -0.05 -4.93 118.95 117.73 3gkl s ARG 538 Ca 0.08 -1.41 0.00 0.00 -0.52 0.00 0.00 55.73 53.88 3gkl s ARG 538 Cb 0.06 -2.95 0.00 0.00 0.52 0.00 0.00 34.95 32.58 3gkl s ARG 538 CO 0.02 -0.62 0.00 0.25 0.02 0.00 0.00 175.30 174.97 3gkl n THR 539 N 4.42 0.00 -4.46 0.02 -2.24 -1.26 -1.40 114.28 109.36 3gkl n THR 539 Ca -0.12 -0.39 -0.25 0.00 -2.27 0.00 0.00 64.05 61.02 3gkl n THR 539 Cb 0.42 0.92 -0.10 0.00 -2.10 0.00 0.00 70.33 69.47 3gkl n THR 539 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gkl s SER 540 N -1.06 3.85 0.44 3.42 1.04 -1.26 -1.25 113.70 118.88 3gkl s SER 540 Ca 0.00 -1.06 -0.25 0.00 0.48 0.00 0.00 55.95 55.11 3gkl s SER 540 Cb 0.00 -0.41 -0.08 0.00 0.10 0.00 0.00 66.02 65.63 3gkl s SER 540 CO 0.00 -0.12 1.39 -0.36 0.98 0.00 0.00 173.24 175.13 3gkl s PHE 541 N -2.54 2.55 -0.02 5.02 0.08 -0.50 -4.64 117.98 117.93 3gkl s PHE 541 Ca 0.32 1.30 0.05 0.00 0.12 0.00 0.00 56.93 58.72 3gkl s PHE 541 Cb -0.01 -3.85 -0.03 0.00 -0.57 0.00 0.00 43.02 38.56 3gkl s PHE 541 CO 0.17 -2.71 -0.16 -1.21 -0.10 0.00 0.00 175.22 171.21 3gkl s GLU 542 N -2.41 2.36 -0.09 0.44 2.02 0.10 -4.83 118.70 116.29 3gkl s GLU 542 Ca 0.60 -0.79 -0.23 0.00 0.02 0.00 0.00 54.97 54.57 3gkl s GLU 542 Cb -0.42 -2.31 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 3gkl s GLU 542 CO 0.54 0.60 0.71 -0.51 0.02 0.00 0.00 175.26 176.61 3gkl s LEU 543 N -0.93 4.28 -0.11 1.80 1.43 -1.26 0.21 118.68 124.10 3gkl s LEU 543 Ca 0.12 1.14 0.01 0.00 -1.03 0.00 0.00 54.13 54.38 3gkl s LEU 543 Cb -0.11 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 3gkl s LEU 543 CO 0.02 -0.17 -0.14 -2.28 0.23 0.00 0.00 176.35 174.01 3gkl s HIS 544 N 1.09 2.76 -0.27 0.29 5.65 0.45 -4.94 115.29 120.33 3gkl s HIS 544 Ca 0.36 -0.57 -0.09 0.00 0.25 0.00 0.00 55.06 55.02 3gkl s HIS 544 Cb -0.17 -1.79 -0.04 0.00 -1.18 0.00 0.00 32.58 29.40 3gkl s HIS 544 CO 0.16 -0.14 0.13 0.00 -0.65 0.00 0.00 174.74 174.25 3gkl s ALA 545 N 0.11 3.34 -1.23 1.58 0.00 -1.26 -1.15 121.76 123.16 3gkl s ALA 545 Ca -0.07 -1.13 0.18 0.00 0.00 0.00 0.00 51.96 50.95 3gkl s ALA 545 Cb -0.15 -2.29 0.86 0.00 0.00 0.00 0.00 23.12 21.55 3gkl s ALA 545 CO 0.05 -0.54 1.57 -1.91 0.00 0.00 0.00 175.76 174.93 3gkl n GLU 546 N 4.99 0.14 0.00 0.00 4.07 -0.47 -5.03 120.64 124.34 3gkl n GLU 546 Ca -0.15 0.15 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3gkl n GLU 546 Cb 0.52 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.40 3gkl n GLU 546 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3gkl n LYS 547 N -1.39 0.00 0.00 5.31 2.85 -1.26 -5.12 118.16 118.55 3gkl n LYS 547 Ca 0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 3gkl n LYS 547 Cb 0.18 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.56 3gkl n LYS 547 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3gkl n VAL 555 N -1.11 0.00 -3.81 0.58 0.31 -1.26 -5.17 118.33 107.87 3gkl n VAL 555 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 3gkl n VAL 555 Cb 0.00 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 3gkl n VAL 555 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3gkl s TYR 556 N 0.00 3.56 -0.51 3.52 1.51 0.26 -4.95 117.35 120.74 3gkl s TYR 556 Ca 0.00 -2.60 -0.28 0.00 -1.01 0.00 0.00 57.07 53.18 3gkl s TYR 556 Cb 0.00 -3.16 0.00 0.00 -0.11 0.00 0.00 41.96 38.70 3gkl s TYR 556 CO 0.00 -0.93 1.51 0.34 -1.11 0.00 0.00 175.55 175.36 3gkl s ASP 557 N 1.37 6.03 0.00 2.29 2.15 -1.26 -2.58 116.67 124.68 3gkl s ASP 557 Ca 0.11 0.51 0.23 0.00 0.43 0.00 0.00 52.55 53.82 3gkl s ASP 557 Cb -0.22 -2.54 1.13 0.00 -0.30 0.00 0.00 42.92 40.99 3gkl s ASP 557 CO -0.04 -1.74 1.74 0.23 -0.17 0.00 0.00 175.17 175.18 3gkl n MET 558 N 8.59 0.30 0.00 4.34 2.81 0.13 -1.35 117.12 131.94 3gkl n MET 558 Ca 0.15 0.07 0.13 0.00 -1.81 0.00 0.00 57.70 56.25 3gkl n MET 558 Cb 0.49 -1.50 0.39 0.00 -0.71 0.00 0.00 33.22 31.89 3gkl n MET 558 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3gkl n ASP 559 N -1.30 0.71 -0.98 7.83 8.00 -1.26 -3.17 116.55 126.38 3gkl n ASP 559 Ca 0.10 -0.56 -0.00 0.00 0.71 0.00 0.00 54.79 55.04 3gkl n ASP 559 Cb 0.18 0.11 0.21 0.00 -0.02 0.00 0.00 41.12 41.60 3gkl n ASP 559 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gkl n ASN 560 N -1.02 2.60 -4.32 -2.24 4.13 -0.46 -5.01 115.26 108.94 3gkl n ASN 560 Ca 0.10 -3.62 -0.29 0.00 1.68 0.00 0.00 54.58 52.45 3gkl n ASN 560 Cb 0.33 -0.60 -0.15 0.00 -1.54 0.00 0.00 39.78 37.83 3gkl n ASN 560 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3gkl s ILE 561 N -3.16 2.03 0.32 2.41 1.01 -1.19 -1.37 121.20 121.26 3gkl s ILE 561 Ca 0.43 -1.32 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 3gkl s ILE 561 Cb 0.38 -1.74 -0.00 0.00 0.01 0.00 0.00 42.46 41.11 3gkl s ILE 561 CO 0.01 0.35 0.46 -0.94 0.00 0.00 0.00 174.94 174.82 3gkl s SER 562 N -1.17 0.72 -0.21 3.58 1.04 -0.30 -3.94 113.70 113.43 3gkl s SER 562 Ca 0.11 -1.40 -0.02 0.00 0.48 0.00 0.00 55.95 55.12 3gkl s SER 562 Cb -0.10 0.64 -0.00 0.00 0.10 0.00 0.00 66.02 66.66 3gkl s SER 562 CO 0.02 -1.26 -0.09 -0.69 0.98 0.00 0.00 173.24 172.20 3gkl s VAL 563 N -3.24 2.99 0.05 5.02 1.01 0.40 -0.41 120.40 126.21 3gkl s VAL 563 Ca 0.30 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.71 3gkl s VAL 563 Cb -0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 3gkl s VAL 563 CO 0.18 0.46 -0.17 0.68 0.00 0.00 0.00 175.10 176.24 3gkl s VAL 564 N 1.41 1.40 0.69 2.92 -7.23 0.13 -1.69 120.40 118.02 3gkl s VAL 564 Ca 0.05 -1.14 -0.17 0.00 -1.81 0.00 0.00 61.98 58.92 3gkl s VAL 564 Cb -0.14 -1.24 -0.01 0.00 0.56 0.00 0.00 36.38 35.55 3gkl s VAL 564 CO -0.06 0.08 1.04 0.35 -0.31 0.00 0.00 175.10 176.20 3gkl n THR 565 N 1.79 3.44 -0.28 5.32 -2.24 -0.90 0.03 114.28 121.44 3gkl n THR 565 Ca -0.18 -0.42 0.02 0.00 -2.27 0.00 0.00 64.05 61.20 3gkl n THR 565 Cb 0.54 -1.19 0.23 0.00 -2.10 0.00 0.00 70.33 67.81 3gkl n THR 565 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3gkl h PRO 566 N 0.03 1.03 0.00 -0.78 0.11 -1.82 0.15 132.00 130.71 3gkl h PRO 566 Ca -0.48 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3gkl h PRO 566 Cb 1.34 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gkl h PRO 566 CO 0.49 0.68 0.00 0.87 -0.21 0.00 0.00 178.00 179.83 3gkl h LYS 567 N 1.06 0.00 0.12 1.05 1.57 -1.93 -1.02 116.57 117.43 3gkl h LYS 567 Ca 0.34 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.77 3gkl h LYS 567 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3gkl h LYS 567 CO -0.10 0.00 -1.93 -0.09 -0.57 0.00 0.00 179.45 176.75 3gkl h ARG 568 N 0.00 0.26 -0.50 3.15 9.65 -1.54 -2.95 114.38 122.45 3gkl h ARG 568 Ca 0.00 -0.45 0.10 0.00 -1.10 0.00 0.00 59.98 58.53 3gkl h ARG 568 Cb 0.77 0.17 -0.09 0.00 -1.39 0.00 0.00 29.97 29.43 3gkl h ARG 568 CO 0.00 1.21 -0.03 1.25 2.80 0.00 0.00 179.97 185.21 3gkl h HIS 569 N 0.01 -0.08 -0.60 2.20 2.76 -0.56 -1.61 115.15 117.26 3gkl h HIS 569 Ca -0.41 0.04 0.08 0.00 -2.20 0.00 0.00 60.37 57.88 3gkl h HIS 569 Cb 2.00 0.11 -0.11 0.00 1.55 0.00 0.00 27.41 30.96 3gkl h HIS 569 CO 0.08 -0.14 -0.47 0.82 -1.30 0.00 0.00 177.93 176.92 3gkl h ILE 570 N 0.09 0.06 -0.14 6.26 1.08 -1.28 -2.81 117.51 120.77 3gkl h ILE 570 Ca 0.25 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.70 3gkl h ILE 570 Cb 0.38 0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 34.19 3gkl h ILE 570 CO -0.44 0.00 -0.01 0.44 -0.69 0.00 0.00 178.15 177.45 3gkl h ASP 571 N -0.23 0.25 -0.77 1.72 3.45 -1.25 -2.80 116.42 116.78 3gkl h ASP 571 Ca 0.16 -0.33 0.07 0.00 0.43 0.00 0.00 57.03 57.36 3gkl h ASP 571 Cb 0.56 -0.07 -0.09 0.00 -0.56 0.00 0.00 39.33 39.17 3gkl h ASP 571 CO -0.71 0.52 -0.46 -0.38 -1.57 0.00 0.00 179.24 176.64 3gkl n ILE 572 N -4.75 -0.53 1.54 0.35 5.41 -0.65 -0.22 119.36 120.51 3gkl n ILE 572 Ca -0.06 2.20 0.00 0.00 1.00 0.00 0.00 62.75 65.89 3gkl n ILE 572 Cb 0.22 -2.75 0.00 0.00 -0.71 0.00 0.00 39.64 36.41 3gkl n ILE 572 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3gkl n HIS 573 N -4.75 0.00 -2.22 1.39 8.25 -1.06 -2.02 115.22 114.81 3gkl n HIS 573 Ca 0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.52 3gkl n HIS 573 Cb 0.20 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.37 3gkl n HIS 573 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3gkl n ARG 574 N -0.42 0.47 -1.12 -0.41 1.85 -0.74 -4.99 116.66 111.30 3gkl n ARG 574 Ca 0.00 -2.36 -0.04 0.00 -1.00 0.00 0.00 57.85 54.45 3gkl n ARG 574 Cb 0.03 -0.49 -0.02 0.00 -1.05 0.00 0.00 32.46 30.93 3gkl n ARG 574 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3gkl n GLY 575 N 0.01 0.44 0.13 2.89 0.00 -0.77 -4.96 105.19 102.92 3gkl n GLY 575 Ca 0.10 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.11 3gkl n GLY 575 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60