#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w01 s MET 435 N 0.00 0.09 -0.06 -1.58 1.75 -1.26 -4.84 119.30 113.41 2w01 s MET 435 Ca 0.00 -0.04 0.09 0.00 -1.25 0.00 0.00 55.69 54.49 2w01 s MET 435 Cb 0.00 0.01 0.36 0.00 2.84 0.00 0.00 34.83 38.03 2w01 s MET 435 CO 0.00 -0.13 1.18 0.41 -0.65 0.00 0.00 175.02 175.83 2w01 n GLY 436 N 3.43 1.45 0.00 2.11 0.00 -1.26 -1.30 105.19 109.61 2w01 n GLY 436 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2w01 n GLY 436 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w01 n GLY 437 N 0.68 2.99 2.85 -0.02 0.00 -1.25 -5.04 105.19 105.40 2w01 n GLY 437 Ca 0.13 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 2w01 n GLY 437 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2w01 s ASP 438 N 0.00 -0.01 -0.41 1.61 2.15 -0.77 -4.97 116.67 114.27 2w01 s ASP 438 Ca 0.00 0.13 -0.22 0.00 0.43 0.00 0.00 52.55 52.89 2w01 s ASP 438 Cb 0.00 0.04 0.02 0.00 -0.30 0.00 0.00 42.92 42.68 2w01 s ASP 438 CO 0.00 -0.11 0.74 -0.60 -0.17 0.00 0.00 175.17 175.03 2w01 s ARG 439 N 0.90 3.54 0.06 4.34 3.52 -1.26 -1.22 118.95 128.83 2w01 s ARG 439 Ca -0.07 0.01 -0.10 0.00 -0.13 0.00 0.00 55.73 55.44 2w01 s ARG 439 Cb -0.10 -3.88 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 2w01 s ARG 439 CO -0.03 -0.96 0.21 -0.98 -0.81 0.00 0.00 175.30 172.73 2w01 s ARG 440 N 3.07 0.77 0.22 5.12 1.70 -0.79 -4.91 118.95 124.14 2w01 s ARG 440 Ca 0.28 -0.76 -0.30 0.00 -0.47 0.00 0.00 55.73 54.49 2w01 s ARG 440 Cb -0.13 0.32 -0.09 0.00 -0.57 0.00 0.00 34.95 34.48 2w01 s ARG 440 CO 0.19 -0.24 1.29 -1.25 -1.08 0.00 0.00 175.30 174.22 2w01 s PRO 441 N -3.12 4.40 0.02 3.89 0.04 -1.26 -1.75 135.00 137.22 2w01 s PRO 441 Ca -0.01 2.06 0.02 0.00 0.04 0.00 0.00 61.00 63.11 2w01 s PRO 441 Cb 0.01 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 2w01 s PRO 441 CO -0.07 -0.21 -0.07 0.42 0.04 0.00 0.00 177.00 177.11 2w01 s ILE 442 N -0.17 0.55 -0.19 0.56 1.01 -0.12 -4.93 121.20 117.90 2w01 s ILE 442 Ca 0.55 -0.72 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 2w01 s ILE 442 Cb -0.37 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 2w01 s ILE 442 CO 0.41 -0.13 0.28 -0.89 0.00 0.00 0.00 174.94 174.61 2w01 s THR 443 N -0.80 5.29 -0.13 2.92 2.01 0.04 -1.53 115.64 123.44 2w01 s THR 443 Ca -0.04 0.49 -0.02 0.00 0.31 0.00 0.00 61.69 62.43 2w01 s THR 443 Cb -0.06 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 2w01 s THR 443 CO 0.00 0.34 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.58 2w01 s ILE 444 N 0.87 3.68 -0.11 1.82 -1.09 0.29 -0.47 121.20 126.19 2w01 s ILE 444 Ca 0.15 -0.45 0.04 0.00 -2.23 0.00 0.00 60.65 58.15 2w01 s ILE 444 Cb -0.13 -2.57 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 2w01 s ILE 444 CO 0.05 0.53 -0.23 -0.22 -1.23 0.00 0.00 174.94 173.83 2w01 s LEU 445 N 0.03 2.09 -0.04 2.97 0.20 -0.18 -0.92 118.68 122.82 2w01 s LEU 445 Ca -0.01 -0.57 0.03 0.00 0.69 0.00 0.00 54.13 54.27 2w01 s LEU 445 Cb -0.14 -1.41 0.00 0.00 -0.43 0.00 0.00 46.19 44.22 2w01 s LEU 445 CO 0.03 0.13 -0.13 0.42 -0.29 0.00 0.00 176.35 176.51 2w01 s THR 446 N 0.49 1.16 0.23 3.68 -4.23 -0.76 -0.44 115.64 115.77 2w01 s THR 446 Ca -0.15 -0.55 0.10 0.00 -1.18 0.00 0.00 61.69 59.91 2w01 s THR 446 Cb -0.17 -1.02 -0.04 0.00 1.34 0.00 0.00 72.50 72.60 2w01 s THR 446 CO 0.06 0.35 -0.12 -0.94 -0.54 0.00 0.00 174.62 173.42 2w01 s SER 447 N 0.26 4.01 -0.07 3.99 1.04 -0.66 -1.71 113.70 120.56 2w01 s SER 447 Ca -0.07 -0.77 -0.14 0.00 0.48 0.00 0.00 55.95 55.45 2w01 s SER 447 Cb -0.12 -0.56 0.03 0.00 0.10 0.00 0.00 66.02 65.47 2w01 s SER 447 CO 0.02 0.06 0.34 -0.62 0.98 0.00 0.00 173.24 174.03 2w01 s ASP 448 N -3.21 -0.29 -0.74 7.02 -1.08 -0.82 -2.30 116.67 115.25 2w01 s ASP 448 Ca 0.27 0.40 -0.15 0.00 -0.52 0.00 0.00 52.55 52.55 2w01 s ASP 448 Cb -0.07 0.51 0.18 0.00 -1.46 0.00 0.00 42.92 42.08 2w01 s ASP 448 CO 0.15 -0.30 0.72 -0.76 0.52 0.00 0.00 175.17 175.50 2w01 s LEU 449 N -0.63 6.35 -0.28 -1.34 1.43 -0.55 -1.68 118.68 121.98 2w01 s LEU 449 Ca -0.07 -2.28 -0.39 0.00 -1.03 0.00 0.00 54.13 50.35 2w01 s LEU 449 Cb -0.04 -2.23 -0.15 0.00 0.03 0.00 0.00 46.19 43.80 2w01 s LEU 449 CO 0.03 -0.74 1.82 0.54 0.23 0.00 0.00 176.35 178.23 2w01 n ARG 450 N 4.74 1.22 -0.17 1.70 5.12 -0.59 -0.96 116.66 127.71 2w01 n ARG 450 Ca 0.05 0.44 0.00 0.00 -1.93 0.00 0.00 57.85 56.41 2w01 n ARG 450 Cb 0.45 -2.18 0.00 0.00 -1.16 0.00 0.00 32.46 29.57 2w01 n ARG 450 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2w01 n GLY 451 N 4.56 2.22 0.31 -0.13 0.00 -1.26 -4.55 105.19 106.35 2w01 n GLY 451 Ca 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.22 2w01 n GLY 451 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2w01 h PHE 452 N 0.00 1.16 -0.68 1.61 3.04 -1.41 -0.69 116.94 119.97 2w01 h PHE 452 Ca 0.00 -0.17 -0.07 0.00 3.98 0.00 0.00 57.97 61.70 2w01 h PHE 452 Cb 0.00 -0.31 -0.03 0.00 2.56 0.00 0.00 35.95 38.17 2w01 h PHE 452 CO 0.00 0.99 0.14 1.79 -2.02 0.00 0.00 178.31 179.21 2w01 h THR 453 N 1.00 1.26 -0.19 4.41 1.35 -1.91 0.38 112.91 119.21 2w01 h THR 453 Ca 0.19 -1.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.04 2w01 h THR 453 Cb 0.49 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 67.49 2w01 h THR 453 CO 0.02 0.38 0.08 -1.28 -0.25 0.00 0.00 175.52 174.47 2w01 h SER 454 N 1.04 0.26 0.54 5.36 0.87 -1.92 -2.95 113.55 116.74 2w01 h SER 454 Ca 0.21 -0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 2w01 h SER 454 Cb 0.40 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2w01 h SER 454 CO 0.01 0.35 -0.26 0.71 -0.53 0.00 0.00 176.83 177.11 2w01 h THR 455 N 0.17 0.83 -0.02 2.23 1.35 -0.39 -1.72 112.91 115.36 2w01 h THR 455 Ca 0.07 -1.02 0.01 0.00 -0.55 0.00 0.00 66.41 64.91 2w01 h THR 455 Cb 0.16 1.62 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2w01 h THR 455 CO -0.01 0.25 0.12 0.77 -0.25 0.00 0.00 175.52 176.41 2w01 h SER 456 N 0.00 0.00 0.35 5.36 4.64 -0.09 -1.92 113.55 121.89 2w01 h SER 456 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2w01 h SER 456 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 2w01 h SER 456 CO 0.03 0.00 -0.31 -0.33 -0.87 0.00 0.00 176.83 175.35 2w01 h GLU 457 N 0.00 0.00 -0.54 4.77 4.39 -1.31 -2.89 114.58 119.00 2w01 h GLU 457 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2w01 h GLU 457 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2w01 h GLU 457 CO -0.00 0.31 0.00 0.41 -1.16 0.00 0.00 179.01 178.57 2w01 n GLY 458 N -0.58 1.93 3.92 -3.84 0.00 -0.72 -4.99 105.19 100.91 2w01 n GLY 458 Ca -0.02 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 2w01 n GLY 458 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2w01 s LEU 459 N -1.24 4.23 0.24 0.99 1.43 -1.09 -5.10 118.68 118.14 2w01 s LEU 459 Ca 0.43 0.09 -0.31 0.00 -1.03 0.00 0.00 54.13 53.31 2w01 s LEU 459 Cb 0.23 -2.80 -0.12 0.00 0.03 0.00 0.00 46.19 43.53 2w01 s LEU 459 CO 0.31 0.04 1.69 -3.20 0.23 0.00 0.00 176.35 175.42 2w01 n ASN 460 N -0.63 3.97 -0.30 2.29 5.15 -1.26 -4.89 115.26 119.58 2w01 n ASN 460 Ca -0.07 1.09 0.12 0.00 -0.60 0.00 0.00 54.58 55.12 2w01 n ASN 460 Cb 0.55 -1.58 0.27 0.00 -0.53 0.00 0.00 39.78 38.48 2w01 n ASN 460 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2w01 h PRO 461 N 6.12 0.13 -0.25 1.20 0.11 -1.99 -1.12 132.00 136.21 2w01 h PRO 461 Ca -0.44 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 2w01 h PRO 461 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2w01 h PRO 461 CO 0.90 0.09 -0.26 0.93 -0.21 0.00 0.00 178.00 179.46 2w01 h GLU 462 N 0.14 0.48 -0.65 1.05 5.08 -1.99 -2.11 114.58 116.58 2w01 h GLU 462 Ca 0.54 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.73 2w01 h GLU 462 Cb 1.10 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 2w01 h GLU 462 CO -0.72 0.70 0.43 0.93 -1.00 0.00 0.00 179.01 179.35 2w01 h GLU 463 N 0.43 0.84 -0.04 2.33 5.08 -1.69 -0.44 114.58 121.09 2w01 h GLU 463 Ca 0.06 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.14 2w01 h GLU 463 Cb 0.67 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.74 2w01 h GLU 463 CO 0.05 0.56 -0.91 -0.24 -1.00 0.00 0.00 179.01 177.47 2w01 h VAL 464 N 0.87 1.34 -0.28 3.13 3.04 -1.13 -2.61 116.25 120.61 2w01 h VAL 464 Ca 0.24 -2.27 -0.00 0.00 -1.01 0.00 0.00 66.70 63.66 2w01 h VAL 464 Cb -0.08 2.29 -0.01 0.00 -2.01 0.00 0.00 31.29 31.47 2w01 h VAL 464 CO -0.06 0.69 0.17 0.58 -1.01 0.00 0.00 177.57 177.94 2w01 h VAL 465 N 0.33 1.09 0.32 1.51 2.07 -1.31 -2.33 116.25 117.93 2w01 h VAL 465 Ca -0.08 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 2w01 h VAL 465 Cb 1.54 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 2w01 h VAL 465 CO 0.17 0.09 -0.31 0.50 0.02 0.00 0.00 177.57 178.05 2w01 h LYS 466 N 0.35 -0.63 -0.44 1.57 1.63 -1.12 -1.27 116.57 116.67 2w01 h LYS 466 Ca 0.10 0.04 0.09 0.00 -0.85 0.00 0.00 60.65 60.03 2w01 h LYS 466 Cb 0.00 0.14 -0.08 0.00 -0.60 0.00 0.00 32.23 31.70 2w01 h LYS 466 CO -0.02 -0.42 -0.08 0.28 -3.45 0.00 0.00 179.45 175.76 2w01 h VAL 467 N -0.65 0.58 -0.78 2.00 2.07 -1.52 0.14 116.25 118.10 2w01 h VAL 467 Ca -0.02 -0.01 0.11 0.00 0.82 0.00 0.00 66.70 67.61 2w01 h VAL 467 Cb 0.59 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 2w01 h VAL 467 CO -0.05 0.00 0.41 -0.07 0.02 0.00 0.00 177.57 177.88 2w01 h LEU 468 N 0.02 0.53 -0.46 2.57 4.07 -1.23 -0.19 115.31 120.62 2w01 h LEU 468 Ca 0.21 0.07 -0.13 0.00 0.08 0.00 0.00 57.88 58.11 2w01 h LEU 468 Cb 0.32 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 2w01 h LEU 468 CO -0.43 0.28 -0.63 0.78 -1.08 0.00 0.00 178.44 177.35 2w01 h ASN 469 N 0.65 0.00 0.21 -0.43 2.35 -0.55 0.24 115.58 118.05 2w01 h ASN 469 Ca 0.40 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.14 2w01 h ASN 469 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2w01 h ASN 469 CO -0.30 0.63 -0.10 0.40 -1.65 0.00 0.00 177.43 176.42 2w01 h ILE 470 N 0.00 0.88 0.17 2.81 2.04 -0.34 -0.66 117.51 122.41 2w01 h ILE 470 Ca -0.01 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.28 2w01 h ILE 470 Cb 1.28 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 2w01 h ILE 470 CO 0.08 0.13 -0.40 0.22 0.00 0.00 0.00 178.15 178.18 2w01 h TYR 471 N -0.57 -1.10 -0.58 1.37 3.20 -0.95 -2.31 116.97 116.02 2w01 h TYR 471 Ca -0.03 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2w01 h TYR 471 Cb 0.42 0.46 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 2w01 h TYR 471 CO 0.02 -0.51 0.34 0.74 -1.64 0.00 0.00 178.16 177.11 2w01 h PHE 472 N -0.66 0.78 -0.83 -3.82 0.04 -0.59 -0.57 116.94 111.29 2w01 h PHE 472 Ca 0.01 -0.01 0.18 0.00 2.80 0.00 0.00 57.97 60.96 2w01 h PHE 472 Cb 0.67 -0.25 -0.11 0.00 2.20 0.00 0.00 35.95 38.45 2w01 h PHE 472 CO -0.33 0.55 0.32 0.78 -0.60 0.00 0.00 178.31 179.03 2w01 h GLY 473 N 0.78 1.32 1.27 -1.45 0.00 -1.00 -0.75 103.07 103.24 2w01 h GLY 473 Ca 0.21 -0.13 -0.32 0.00 0.00 0.00 0.00 47.33 47.08 2w01 h GLY 473 CO -0.04 -0.20 -1.50 1.70 0.00 0.00 0.00 176.54 176.51 2w01 h LYS 474 N 0.39 0.41 -0.34 4.80 1.63 -1.00 -3.11 116.57 119.35 2w01 h LYS 474 Ca 0.49 -0.70 -0.04 0.00 -0.85 0.00 0.00 60.65 59.55 2w01 h LYS 474 Cb 0.86 0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 2w01 h LYS 474 CO -0.49 1.32 0.05 0.52 -3.45 0.00 0.00 179.45 177.40 2w01 h MET 475 N 0.11 0.57 -0.67 1.90 2.86 -0.84 -2.51 114.93 116.36 2w01 h MET 475 Ca -0.25 -0.15 0.07 0.00 -2.06 0.00 0.00 59.70 57.31 2w01 h MET 475 Cb 2.09 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 33.62 2w01 h MET 475 CO 0.22 0.65 0.35 0.00 1.06 0.00 0.00 176.91 179.19 2w01 h ALA 476 N 0.90 0.90 -0.35 6.32 0.00 -1.26 0.84 119.26 126.61 2w01 h ALA 476 Ca 0.10 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2w01 h ALA 476 Cb 0.36 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 2w01 h ALA 476 CO 0.01 -0.01 -0.22 -0.44 0.00 0.00 0.00 179.25 178.58 2w01 h ASP 477 N 0.62 -0.75 -0.33 0.00 3.32 -1.46 -0.31 116.42 117.52 2w01 h ASP 477 Ca 0.31 0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.45 2w01 h ASP 477 Cb 0.26 0.38 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 2w01 h ASP 477 CO -0.22 -0.25 -0.08 -0.37 -1.72 0.00 0.00 179.24 176.60 2w01 h VAL 478 N -0.18 1.28 -0.66 -1.35 -1.51 -0.92 -2.39 116.25 110.53 2w01 h VAL 478 Ca 0.18 -1.13 0.07 0.00 -1.23 0.00 0.00 66.70 64.59 2w01 h VAL 478 Cb 0.45 1.33 -0.06 0.00 -2.13 0.00 0.00 31.29 30.88 2w01 h VAL 478 CO -0.46 0.37 0.34 0.40 -1.23 0.00 0.00 177.57 176.99 2w01 h ILE 479 N 0.42 0.92 -0.09 7.19 2.04 -0.70 -1.99 117.51 125.30 2w01 h ILE 479 Ca 0.08 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2w01 h ILE 479 Cb 0.57 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2w01 h ILE 479 CO 0.03 0.11 0.02 0.74 0.00 0.00 0.00 178.15 179.06 2w01 h THR 480 N 0.62 1.18 -1.05 -0.27 2.02 -1.07 -1.14 112.91 113.22 2w01 h THR 480 Ca 0.30 -0.56 0.30 0.00 0.77 0.00 0.00 66.41 67.22 2w01 h THR 480 Cb 0.24 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 2w01 h THR 480 CO -0.21 0.16 0.75 -0.74 0.37 0.00 0.00 175.52 175.85 2w01 h HIS 481 N -0.06 0.03 -0.69 3.16 -0.00 -1.11 0.68 115.15 117.15 2w01 h HIS 481 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2w01 h HIS 481 Cb 0.23 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.63 2w01 h HIS 481 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.93 178.66 2w01 n HIS 482 N -4.24 0.91 -3.75 5.26 -0.00 -0.78 -4.96 115.22 107.66 2w01 n HIS 482 Ca 0.22 -0.50 -0.27 0.00 -0.00 0.00 0.00 57.72 57.17 2w01 n HIS 482 Cb 1.10 -0.00 0.05 0.00 -0.00 0.00 0.00 29.99 31.14 2w01 n HIS 482 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2w01 n GLY 483 N 1.51 -0.53 3.92 -1.41 0.00 0.23 -4.86 105.19 104.06 2w01 n GLY 483 Ca 0.23 0.23 -0.26 0.00 0.00 0.00 0.00 46.02 46.22 2w01 n GLY 483 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2w01 s GLY 484 N -3.31 1.46 -0.35 -0.02 0.00 -0.50 -4.91 107.32 99.70 2w01 s GLY 484 Ca 0.63 -0.70 -0.11 0.00 0.00 0.00 0.00 44.72 44.54 2w01 s GLY 484 CO 0.78 -0.56 0.19 -1.59 0.00 0.00 0.00 173.10 171.92 2w01 s THR 485 N -2.60 4.70 -0.31 0.90 2.01 0.45 -4.62 115.64 116.17 2w01 s THR 485 Ca 0.45 -0.61 -0.28 0.00 0.31 0.00 0.00 61.69 61.56 2w01 s THR 485 Cb -0.10 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 2w01 s THR 485 CO 0.41 -0.10 1.76 -0.63 -0.69 0.00 0.00 174.62 175.38 2w01 s ILE 486 N 1.60 3.52 -0.10 1.82 1.01 -1.26 -0.64 121.20 127.15 2w01 s ILE 486 Ca 0.04 0.54 -0.22 0.00 0.00 0.00 0.00 60.65 61.01 2w01 s ILE 486 Cb -0.18 -3.67 -0.28 0.00 0.01 0.00 0.00 42.46 38.34 2w01 s ILE 486 CO 0.07 -0.41 0.71 -0.78 0.00 0.00 0.00 174.94 174.53 2w01 h ASP 487 N 12.46 0.30 -4.05 3.58 1.82 -0.91 -3.48 116.42 126.14 2w01 h ASP 487 Ca -0.34 -0.89 -0.10 0.00 -0.39 0.00 0.00 57.03 55.31 2w01 h ASP 487 Cb 1.16 -0.10 -0.23 0.00 0.68 0.00 0.00 39.33 40.85 2w01 h ASP 487 CO 1.03 1.38 -0.12 -1.83 -1.61 0.00 0.00 179.24 178.09 2w01 s GLU 488 N -2.39 0.62 -0.32 0.28 -1.05 -1.05 -5.00 118.70 109.78 2w01 s GLU 488 Ca -0.18 0.61 -0.23 0.00 -0.15 0.00 0.00 54.97 55.02 2w01 s GLU 488 Cb 0.02 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 2w01 s GLU 488 CO 0.76 -0.09 0.77 -0.06 0.95 0.00 0.00 175.26 177.59 2w01 s PHE 489 N 0.07 3.18 0.45 4.83 0.08 -1.26 -1.31 117.98 124.01 2w01 s PHE 489 Ca -0.02 0.71 0.08 0.00 0.12 0.00 0.00 56.93 57.82 2w01 s PHE 489 Cb -0.03 -3.25 0.02 0.00 -0.57 0.00 0.00 43.02 39.19 2w01 s PHE 489 CO 0.01 -0.60 0.61 0.00 -0.10 0.00 0.00 175.22 175.14 2w01 s MET 490 N 2.96 2.75 0.12 0.44 0.23 0.06 -5.00 119.30 120.86 2w01 s MET 490 Ca 0.31 -1.28 -0.10 0.00 -1.03 0.00 0.00 55.69 53.59 2w01 s MET 490 Cb -0.14 -2.74 0.12 0.00 -1.53 0.00 0.00 34.83 30.54 2w01 s MET 490 CO 0.14 -0.37 0.85 0.41 -2.03 0.00 0.00 175.02 174.02 2w01 n GLY 491 N -1.92 -1.15 2.63 3.16 0.00 -1.26 -3.16 105.19 103.49 2w01 n GLY 491 Ca 0.09 0.61 -0.06 0.00 0.00 0.00 0.00 46.02 46.66 2w01 n GLY 491 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2w01 n ASP 492 N -4.79 2.42 -3.64 1.61 3.85 -1.26 -5.04 116.55 109.69 2w01 n ASP 492 Ca 0.05 -2.48 0.01 0.00 -0.71 0.00 0.00 54.79 51.66 2w01 n ASP 492 Cb 0.21 -0.45 -0.00 0.00 -1.35 0.00 0.00 41.12 39.53 2w01 n ASP 492 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2w01 s GLY 493 N -3.74 -0.39 -0.02 6.12 0.00 -1.19 -1.49 107.32 106.63 2w01 s GLY 493 Ca 0.33 0.61 -0.01 0.00 0.00 0.00 0.00 44.72 45.65 2w01 s GLY 493 CO -0.02 0.23 0.04 -0.42 0.00 0.00 0.00 173.10 172.93 2w01 s ILE 494 N -2.51 -0.02 -0.21 0.90 1.01 -0.97 -0.76 121.20 118.64 2w01 s ILE 494 Ca 0.14 0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.82 2w01 s ILE 494 Cb 0.04 -0.07 -0.02 0.00 0.01 0.00 0.00 42.46 42.43 2w01 s ILE 494 CO -0.03 0.03 -0.03 -0.22 0.00 0.00 0.00 174.94 174.69 2w01 s LEU 495 N 0.36 3.03 -0.04 2.97 2.96 -0.43 -1.66 118.68 125.88 2w01 s LEU 495 Ca -0.03 -0.31 0.06 0.00 -0.22 0.00 0.00 54.13 53.63 2w01 s LEU 495 Cb -0.04 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 2w01 s LEU 495 CO -0.01 0.02 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.13 2w01 s VAL 496 N 1.22 1.78 -0.13 1.68 1.01 0.41 -0.16 120.40 126.21 2w01 s VAL 496 Ca 0.03 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 2w01 s VAL 496 Cb -0.14 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 2w01 s VAL 496 CO -0.00 0.50 -0.09 -0.76 0.00 0.00 0.00 175.10 174.75 2w01 s LEU 497 N -0.24 2.94 -0.34 3.92 1.43 0.19 -1.00 118.68 125.58 2w01 s LEU 497 Ca 0.01 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 2w01 s LEU 497 Cb -0.11 -1.68 0.08 0.00 0.03 0.00 0.00 46.19 44.51 2w01 s LEU 497 CO 0.02 0.18 0.06 -0.36 0.23 0.00 0.00 176.35 176.48 2w01 s PHE 498 N 0.27 3.50 0.00 0.29 0.08 0.38 -0.41 117.98 122.08 2w01 s PHE 498 Ca -0.07 -2.41 0.00 0.00 0.12 0.00 0.00 56.93 54.58 2w01 s PHE 498 Cb -0.15 -2.65 0.00 0.00 -0.57 0.00 0.00 43.02 39.65 2w01 s PHE 498 CO 0.04 -0.91 0.00 0.41 -0.10 0.00 0.00 175.22 174.67 2w01 n GLY 499 N 4.49 1.67 3.22 4.36 0.00 -1.24 -0.78 105.19 116.90 2w01 n GLY 499 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 2w01 n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w01 s ALA 500 N -2.00 -0.85 -0.51 4.61 0.00 -1.26 -4.43 121.76 117.32 2w01 s ALA 500 Ca 0.00 1.08 0.26 0.00 0.00 0.00 0.00 51.96 53.29 2w01 s ALA 500 Cb 0.00 -0.64 0.74 0.00 0.00 0.00 0.00 23.12 23.22 2w01 s ALA 500 CO 0.00 -0.19 1.74 -1.00 0.00 0.00 0.00 175.76 176.31 2w01 h PRO 501 N 6.10 0.00 -5.90 0.00 0.13 -1.99 -3.42 132.00 126.91 2w01 h PRO 501 Ca -0.30 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.24 2w01 h PRO 501 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2w01 h PRO 501 CO 0.30 0.00 -0.31 0.95 -0.23 0.00 0.00 178.00 178.72 2w01 s THR 502 N -3.23 1.61 0.05 1.56 -4.23 -1.26 -5.15 115.64 104.99 2w01 s THR 502 Ca 0.08 -1.51 -0.24 0.00 -1.18 0.00 0.00 61.69 58.84 2w01 s THR 502 Cb 0.09 -2.12 0.06 0.00 1.34 0.00 0.00 72.50 71.87 2w01 s THR 502 CO 0.59 0.00 0.55 -0.94 -0.54 0.00 0.00 174.62 174.28 2w01 s SER 503 N -4.27 -0.48 0.26 3.99 1.04 -1.26 -3.67 113.70 109.30 2w01 s SER 503 Ca 0.33 0.22 -0.04 0.00 0.48 0.00 0.00 55.95 56.94 2w01 s SER 503 Cb -0.02 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.63 2w01 s SER 503 CO 0.20 -0.74 0.41 0.00 0.98 0.00 0.00 173.24 174.10 2w01 n GLN 504 N 0.37 0.60 0.05 4.02 0.00 -1.26 -5.05 117.38 116.11 2w01 n GLN 504 Ca -0.18 -1.84 0.00 0.00 0.00 0.00 0.00 57.00 54.98 2w01 n GLN 504 Cb 0.60 1.92 0.31 0.00 0.00 0.00 0.00 30.24 33.08 2w01 n GLN 504 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 2w01 h GLN 505 N 0.00 0.39 -0.60 2.61 4.15 -2.02 -3.15 115.11 116.49 2w01 h GLN 505 Ca -0.21 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.12 2w01 h GLN 505 Cb 0.85 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.49 2w01 h GLN 505 CO 0.27 0.51 0.00 -0.40 -1.93 0.00 0.00 178.83 177.28 2w01 n ASP 506 N -4.24 5.50 -0.03 -0.69 3.85 -1.26 -4.66 116.55 115.03 2w01 n ASP 506 Ca 0.00 -2.84 -0.13 0.00 -0.71 0.00 0.00 54.79 51.12 2w01 n ASP 506 Cb 0.29 -0.67 -0.07 0.00 -1.35 0.00 0.00 41.12 39.32 2w01 n ASP 506 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 2w01 h ASP 507 N 3.94 -1.47 -0.37 -1.12 3.32 -1.90 -1.01 116.42 117.80 2w01 h ASP 507 Ca 0.00 0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.25 2w01 h ASP 507 Cb 1.87 0.60 -0.02 0.00 0.22 0.00 0.00 39.33 42.00 2w01 h ASP 507 CO 0.45 -0.44 0.25 0.00 -1.72 0.00 0.00 179.24 177.78 2w01 h ALA 508 N 0.04 1.76 -0.03 3.45 0.00 -1.85 -0.99 119.26 121.65 2w01 h ALA 508 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2w01 h ALA 508 Cb 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2w01 h ALA 508 CO -0.44 0.22 -0.06 1.25 0.00 0.00 0.00 179.25 180.22 2w01 h LEU 509 N 0.49 0.10 -1.23 0.00 5.85 -1.62 -2.00 115.31 116.90 2w01 h LEU 509 Ca 0.14 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.34 2w01 h LEU 509 Cb -0.03 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 2w01 h LEU 509 CO -0.03 0.65 0.54 0.03 -0.34 0.00 0.00 178.44 179.29 2w01 h ARG 510 N -0.44 0.94 -0.63 1.25 3.08 -1.08 0.23 114.38 117.72 2w01 h ARG 510 Ca 0.00 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.00 2w01 h ARG 510 Cb 0.63 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 2w01 h ARG 510 CO 0.01 0.62 0.42 0.00 -1.07 0.00 0.00 179.97 179.95 2w01 h ALA 511 N 1.54 0.80 -0.22 0.04 0.00 -1.03 -0.72 119.26 119.67 2w01 h ALA 511 Ca 0.35 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 2w01 h ALA 511 Cb 0.14 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2w01 h ALA 511 CO -0.11 0.23 -0.27 0.28 0.00 0.00 0.00 179.25 179.38 2w01 h VAL 512 N 0.85 1.32 -0.42 0.00 2.07 -0.98 -1.34 116.25 117.76 2w01 h VAL 512 Ca 0.23 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 2w01 h VAL 512 Cb -0.10 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2w01 h VAL 512 CO -0.05 0.45 0.20 0.00 0.02 0.00 0.00 177.57 178.19 2w01 h ALA 513 N 0.65 1.57 -0.12 1.67 0.00 -0.91 -0.16 119.26 121.96 2w01 h ALA 513 Ca 0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2w01 h ALA 513 Cb 0.84 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2w01 h ALA 513 CO 0.06 0.35 -0.12 0.00 0.00 0.00 0.00 179.25 179.55 2w01 h GLY 515 N -0.10 1.05 0.60 0.00 0.00 -0.84 0.31 103.07 104.08 2w01 h GLY 515 Ca 0.02 -0.39 0.06 0.00 0.00 0.00 0.00 47.33 47.02 2w01 h GLY 515 CO 0.03 0.37 0.17 -2.08 0.00 0.00 0.00 176.54 175.03 2w01 h VAL 516 N 1.00 0.86 -0.18 4.60 2.07 -0.99 -2.08 116.25 121.53 2w01 h VAL 516 Ca 0.28 -0.12 -0.14 0.00 0.82 0.00 0.00 66.70 67.53 2w01 h VAL 516 Cb -0.10 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2w01 h VAL 516 CO -0.07 0.06 -0.49 -0.08 0.02 0.00 0.00 177.57 177.02 2w01 h GLU 517 N 0.35 0.49 -0.36 1.57 4.81 -1.03 -0.83 114.58 119.57 2w01 h GLU 517 Ca 0.22 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2w01 h GLU 517 Cb 0.21 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2w01 h GLU 517 CO -0.21 0.87 0.21 0.52 -0.73 0.00 0.00 179.01 179.67 2w01 h MET 518 N 0.39 0.42 -0.58 1.92 2.86 -0.83 0.43 114.93 119.53 2w01 h MET 518 Ca 0.02 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2w01 h MET 518 Cb 1.00 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.54 2w01 h MET 518 CO 0.09 0.28 0.24 0.37 1.06 0.00 0.00 176.91 178.94 2w01 h GLN 519 N 0.43 0.87 -0.31 1.72 5.75 -1.07 0.11 115.11 122.62 2w01 h GLN 519 Ca 0.14 -0.16 -0.10 0.00 -0.15 0.00 0.00 58.65 58.39 2w01 h GLN 519 Cb 0.01 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 2w01 h GLN 519 CO -0.07 0.75 -0.22 -0.07 -2.65 0.00 0.00 178.83 176.57 2w01 h LEU 520 N 0.81 0.59 -1.51 -2.39 3.38 -0.92 -3.10 115.31 112.16 2w01 h LEU 520 Ca 0.19 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2w01 h LEU 520 Cb 0.20 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2w01 h LEU 520 CO -0.02 0.81 0.08 0.00 0.09 0.00 0.00 178.44 179.40 2w01 h ALA 521 N 1.24 1.61 0.00 1.53 0.00 0.53 -2.94 119.26 121.25 2w01 h ALA 521 Ca 0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2w01 h ALA 521 Cb 0.66 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2w01 h ALA 521 CO 0.05 0.30 -0.02 1.25 0.00 0.00 0.00 179.25 180.83 2w01 h LEU 522 N 0.40 0.00 -0.75 0.00 5.85 -0.73 -1.68 115.31 118.40 2w01 h LEU 522 Ca 0.10 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 2w01 h LEU 522 Cb 0.14 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2w01 h LEU 522 CO -0.01 0.02 0.07 0.03 -0.34 0.00 0.00 178.44 178.21 2w01 h ARG 523 N 0.00 1.02 -0.52 1.25 3.08 -1.63 0.29 114.38 117.87 2w01 h ARG 523 Ca -0.00 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.67 2w01 h ARG 523 Cb 0.03 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2w01 h ARG 523 CO 0.00 0.96 -0.09 0.93 -1.07 0.00 0.00 179.97 180.70 2w01 h GLU 524 N 0.95 0.95 -0.24 0.04 5.08 -1.52 -1.87 114.58 117.98 2w01 h GLU 524 Ca 0.18 -0.33 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 2w01 h GLU 524 Cb 0.46 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2w01 h GLU 524 CO 0.02 0.99 -0.41 -0.39 -1.00 0.00 0.00 179.01 178.22 2w01 h VAL 525 N 0.85 1.30 -0.15 3.13 -1.51 -0.82 -3.11 116.25 115.94 2w01 h VAL 525 Ca 0.14 -1.57 -0.02 0.00 -1.23 0.00 0.00 66.70 64.01 2w01 h VAL 525 Cb 0.63 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 2w01 h VAL 525 CO 0.04 0.50 -0.01 0.78 -1.23 0.00 0.00 177.57 177.65 2w01 h ASN 526 N 0.46 0.19 -0.83 4.19 2.35 -0.20 -0.25 115.58 121.48 2w01 h ASN 526 Ca 0.04 -0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2w01 h ASN 526 Cb 0.91 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 39.17 2w01 h ASN 526 CO 0.08 0.24 0.52 1.56 -1.65 0.00 0.00 177.43 178.18 2w01 h GLN 527 N 0.21 0.93 0.12 0.81 4.20 -1.27 0.77 115.11 120.88 2w01 h GLN 527 Ca 0.05 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2w01 h GLN 527 Cb 0.16 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2w01 h GLN 527 CO 0.00 0.61 -0.06 1.96 -0.67 0.00 0.00 178.83 180.68 2w01 h GLN 528 N 0.96 -0.16 -0.62 1.46 4.20 -1.25 -1.45 115.11 118.25 2w01 h GLN 528 Ca 0.36 0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.20 2w01 h GLN 528 Cb 0.14 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 27.85 2w01 h GLN 528 CO -0.16 0.32 0.07 0.28 -0.67 0.00 0.00 178.83 178.67 2w01 h VAL 529 N -0.77 0.55 0.00 -0.54 2.07 -1.09 -0.53 116.25 115.94 2w01 h VAL 529 Ca -0.02 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 2w01 h VAL 529 Cb 0.55 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2w01 h VAL 529 CO 0.03 0.03 -0.34 0.00 0.02 0.00 0.00 177.57 177.31 2w01 h THR 530 N 0.19 0.88 -0.03 2.57 1.03 -0.91 -2.58 112.91 114.06 2w01 h THR 530 Ca 0.33 -1.39 -0.04 0.00 -0.01 0.00 0.00 66.41 65.30 2w01 h THR 530 Cb 0.52 1.84 -0.01 0.00 -1.07 0.00 0.00 68.15 69.44 2w01 h THR 530 CO -0.47 0.34 -0.19 1.23 -0.01 0.00 0.00 175.52 176.42 2w01 h GLY 531 N 1.85 0.04 1.51 2.99 0.00 0.04 -2.69 103.07 106.82 2w01 h GLY 531 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2w01 h GLY 531 CO 0.04 0.02 0.00 1.04 0.00 0.00 0.00 176.54 177.65 2w01 n LEU 532 N -4.30 0.00 0.00 3.11 4.77 -0.98 -4.91 117.00 114.69 2w01 n LEU 532 Ca -0.02 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2w01 n LEU 532 Cb 0.26 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2w01 n LEU 532 CO 0.37 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2w01 n GLY 533 N 1.25 0.51 3.93 -0.72 0.00 -1.01 -5.06 105.19 104.09 2w01 n GLY 533 Ca 0.15 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 2w01 n GLY 533 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2w01 s LEU 534 N 0.00 4.35 0.61 0.99 1.43 -1.16 -5.05 118.68 119.86 2w01 s LEU 534 Ca 0.00 0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 53.15 2w01 s LEU 534 Cb 0.00 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 2w01 s LEU 534 CO 0.00 0.14 1.17 0.00 0.23 0.00 0.00 176.35 177.88 2w01 n GLN 535 N 0.05 1.12 -1.92 1.70 0.00 -1.26 -4.08 117.38 112.99 2w01 n GLN 535 Ca -0.06 0.43 -0.41 0.00 0.00 0.00 0.00 57.00 56.96 2w01 n GLN 535 Cb 0.52 -2.38 -0.02 0.00 0.00 0.00 0.00 30.24 28.36 2w01 n GLN 535 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2w01 s PRO 536 N -3.02 4.21 0.28 2.61 0.04 -1.26 -4.76 135.00 133.10 2w01 s PRO 536 Ca 0.78 2.41 -0.30 0.00 0.04 0.00 0.00 61.00 63.93 2w01 s PRO 536 Cb -0.40 -3.07 -0.11 0.00 0.04 0.00 0.00 34.50 30.96 2w01 s PRO 536 CO 0.45 -0.49 1.55 -0.51 0.04 0.00 0.00 177.00 178.03 2w01 s LEU 537 N -0.55 4.35 -0.10 -3.56 1.02 -1.26 -5.06 118.68 113.51 2w01 s LEU 537 Ca 0.60 2.88 0.00 0.00 0.02 0.00 0.00 54.13 57.63 2w01 s LEU 537 Cb -0.44 -3.63 -0.02 0.00 0.02 0.00 0.00 46.19 42.11 2w01 s LEU 537 CO 0.46 -0.86 -0.10 -1.61 0.02 0.00 0.00 176.35 174.26 2w01 s GLU 538 N -0.52 3.12 -0.06 1.70 0.41 -1.26 -5.00 118.70 117.09 2w01 s GLU 538 Ca 0.62 -0.63 0.03 0.00 -0.41 0.00 0.00 54.97 54.58 2w01 s GLU 538 Cb -0.46 -2.62 0.00 0.00 -1.78 0.00 0.00 34.13 29.27 2w01 s GLU 538 CO 0.47 0.40 -0.15 1.41 -0.49 0.00 0.00 175.26 176.90 2w01 s MET 539 N -0.12 1.82 -0.03 1.61 -2.45 -1.26 -1.55 119.30 117.32 2w01 s MET 539 Ca -0.00 -0.53 -0.02 0.00 -1.25 0.00 0.00 55.69 53.88 2w01 s MET 539 Cb -0.13 -1.52 -0.04 0.00 1.25 0.00 0.00 34.83 34.39 2w01 s MET 539 CO 0.03 0.14 0.12 0.20 1.05 0.00 0.00 175.02 176.56 2w01 s GLY 540 N 0.34 2.08 -0.08 2.11 0.00 -0.68 -1.04 107.32 110.06 2w01 s GLY 540 Ca -0.10 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.85 2w01 s GLY 540 CO 0.03 -0.65 -0.14 -0.42 0.00 0.00 0.00 173.10 171.93 2w01 s ILE 541 N -1.19 1.30 -0.06 0.90 1.01 -0.60 -1.95 121.20 120.62 2w01 s ILE 541 Ca 0.22 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2w01 s ILE 541 Cb -0.12 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 2w01 s ILE 541 CO 0.13 0.39 -0.11 -0.83 0.00 0.00 0.00 174.94 174.53 2w01 s GLY 542 N 0.68 1.60 -0.05 6.18 0.00 -0.69 -0.92 107.32 114.12 2w01 s GLY 542 Ca -0.14 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.65 2w01 s GLY 542 CO 0.04 -0.72 -0.05 -0.42 0.00 0.00 0.00 173.10 171.94 2w01 s ILE 543 N -0.76 0.61 0.07 0.90 1.01 -0.04 -1.83 121.20 121.16 2w01 s ILE 543 Ca 0.12 -0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.66 2w01 s ILE 543 Cb -0.11 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 2w01 s ILE 543 CO 0.01 0.24 -0.13 0.21 0.00 0.00 0.00 174.94 175.28 2w01 s ASN 544 N 0.96 1.55 -0.06 3.58 2.47 -0.10 -1.33 114.94 122.01 2w01 s ASN 544 Ca -0.10 -0.64 0.03 0.00 0.42 0.00 0.00 52.86 52.56 2w01 s ASN 544 Cb -0.14 -0.03 0.01 0.00 -1.45 0.00 0.00 41.25 39.63 2w01 s ASN 544 CO 0.00 -0.12 -0.15 -0.89 -3.72 0.00 0.00 177.10 172.22 2w01 s THR 545 N -1.49 1.32 -0.20 -5.21 2.01 -1.26 0.11 115.64 110.92 2w01 s THR 545 Ca -0.01 -0.62 -0.36 0.00 0.31 0.00 0.00 61.69 61.01 2w01 s THR 545 Cb -0.09 -1.17 0.15 0.00 0.01 0.00 0.00 72.50 71.40 2w01 s THR 545 CO 0.02 0.39 1.39 -0.83 -0.69 0.00 0.00 174.62 174.90 2w01 s GLY 546 N 0.39 -0.32 0.07 4.40 0.00 -0.59 -4.66 107.32 106.60 2w01 s GLY 546 Ca -0.11 1.51 -0.31 0.00 0.00 0.00 0.00 44.72 45.81 2w01 s GLY 546 CO 0.04 0.45 1.54 -0.54 0.00 0.00 0.00 173.10 174.58 2w01 s GLU 547 N -2.07 4.24 0.12 2.90 0.41 -1.26 -0.95 118.70 122.10 2w01 s GLU 547 Ca 0.13 2.19 0.02 0.00 -0.41 0.00 0.00 54.97 56.91 2w01 s GLU 547 Cb 0.02 -3.49 -0.04 0.00 -1.78 0.00 0.00 34.13 28.84 2w01 s GLU 547 CO -0.04 -0.63 -0.06 0.08 -0.49 0.00 0.00 175.26 174.11 2w01 s VAL 548 N 2.19 0.80 -0.17 2.63 1.01 -0.72 -4.59 120.40 121.56 2w01 s VAL 548 Ca 0.69 -1.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.50 2w01 s VAL 548 Cb -0.37 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2w01 s VAL 548 CO 0.30 -0.78 0.57 -0.69 0.00 0.00 0.00 175.10 174.50 2w01 s VAL 549 N -3.56 5.08 0.01 2.92 1.01 0.26 -1.88 120.40 124.23 2w01 s VAL 549 Ca 0.15 1.10 0.05 0.00 0.00 0.00 0.00 61.98 63.27 2w01 s VAL 549 Cb 0.05 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2w01 s VAL 549 CO -0.02 0.18 -0.12 -0.69 0.00 0.00 0.00 175.10 174.45 2w01 s VAL 550 N 1.48 3.25 -0.06 2.92 1.01 -0.36 -0.59 120.40 128.05 2w01 s VAL 550 Ca 0.28 -0.90 -0.31 0.00 0.00 0.00 0.00 61.98 61.04 2w01 s VAL 550 Cb -0.16 -2.38 0.12 0.00 0.00 0.00 0.00 36.38 33.97 2w01 s VAL 550 CO 0.11 0.41 1.17 -0.83 0.00 0.00 0.00 175.10 175.96 2w01 s GLY 551 N -1.29 -0.35 -0.39 4.51 0.00 -1.16 -1.85 107.32 106.78 2w01 s GLY 551 Ca 0.15 0.99 -0.28 0.00 0.00 0.00 0.00 44.72 45.59 2w01 s GLY 551 CO 0.05 0.28 1.84 -1.31 0.00 0.00 0.00 173.10 173.96 2w01 s ASN 552 N -2.62 5.72 -0.13 1.64 0.02 -0.42 -1.39 114.94 117.75 2w01 s ASN 552 Ca 0.11 1.12 0.00 0.00 -1.02 0.00 0.00 52.86 53.07 2w01 s ASN 552 Cb 0.01 -2.53 -0.01 0.00 0.02 0.00 0.00 41.25 38.74 2w01 s ASN 552 CO -0.04 -1.88 -0.14 -0.51 0.02 0.00 0.00 177.10 174.55 2w01 s ILE 553 N 7.51 2.91 -4.39 0.60 1.10 0.52 -4.87 121.20 124.58 2w01 s ILE 553 Ca 0.78 -0.71 0.00 0.00 -0.51 0.00 0.00 60.65 60.21 2w01 s ILE 553 Cb -0.20 -2.22 0.00 0.00 0.15 0.00 0.00 42.46 40.19 2w01 s ILE 553 CO 0.31 0.53 0.00 0.61 -2.11 0.00 0.00 174.94 174.27 2w01 n GLY 554 N 3.60 -0.08 3.42 1.50 0.00 -1.26 -1.43 105.19 110.93 2w01 n GLY 554 Ca -0.18 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 2w01 n GLY 554 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2w01 s SER 555 N -4.00 3.20 0.08 1.61 1.04 -1.25 -4.93 113.70 109.45 2w01 s SER 555 Ca 0.00 -1.00 -0.13 0.00 0.48 0.00 0.00 55.95 55.30 2w01 s SER 555 Cb 0.00 -0.24 -0.00 0.00 0.10 0.00 0.00 66.02 65.88 2w01 s SER 555 CO 0.00 -0.02 0.73 -0.62 0.98 0.00 0.00 173.24 174.31 2w01 n GLU 556 N -0.39 -0.19 0.11 4.02 -0.58 -1.26 -0.30 120.64 122.05 2w01 n GLU 556 Ca -0.07 0.72 -0.04 0.00 -0.42 0.00 0.00 57.16 57.35 2w01 n GLU 556 Cb 0.59 -1.06 0.09 0.00 -0.57 0.00 0.00 31.44 30.49 2w01 n GLU 556 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2w01 h LYS 557 N 0.00 0.04 -1.99 3.49 1.57 -2.03 -3.39 116.57 114.26 2w01 h LYS 557 Ca 0.10 -0.04 -0.55 0.00 -1.87 0.00 0.00 60.65 58.29 2w01 h LYS 557 Cb 0.21 0.01 -0.41 0.00 0.08 0.00 0.00 32.23 32.12 2w01 h LYS 557 CO -0.45 0.74 -0.81 0.54 -0.57 0.00 0.00 179.45 178.90 2w01 n ARG 558 N -3.71 2.66 -2.50 3.15 1.74 0.59 -5.08 116.66 113.51 2w01 n ARG 558 Ca -0.01 -4.38 -0.31 0.00 -0.77 0.00 0.00 57.85 52.38 2w01 n ARG 558 Cb 0.70 -2.06 -0.02 0.00 -1.02 0.00 0.00 32.46 30.06 2w01 n ARG 558 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2w01 s THR 559 N -4.15 4.68 0.19 0.55 -4.23 -1.21 -3.96 115.64 107.51 2w01 s THR 559 Ca 0.45 0.88 -0.19 0.00 -1.18 0.00 0.00 61.69 61.65 2w01 s THR 559 Cb 0.33 -3.76 0.04 0.00 1.34 0.00 0.00 72.50 70.45 2w01 s THR 559 CO -0.12 -0.71 0.56 -1.59 -0.54 0.00 0.00 174.62 172.22 2w01 s LYS 560 N -4.21 1.38 -0.48 3.99 -2.85 -0.52 -4.94 119.74 112.12 2w01 s LYS 560 Ca 0.55 -0.76 -0.28 0.00 -1.00 0.00 0.00 55.97 54.48 2w01 s LYS 560 Cb -0.10 0.55 -0.00 0.00 -2.06 0.00 0.00 37.83 36.21 2w01 s LYS 560 CO 0.36 -0.60 1.62 0.71 0.10 0.00 0.00 175.35 177.54 2w01 s TYR 561 N -3.84 2.04 0.56 1.78 1.51 -1.26 -0.36 117.35 117.78 2w01 s TYR 561 Ca 0.07 0.62 0.07 0.00 -1.01 0.00 0.00 57.07 56.82 2w01 s TYR 561 Cb -0.01 -4.24 0.07 0.00 -0.11 0.00 0.00 41.96 37.67 2w01 s TYR 561 CO -0.05 -2.31 0.59 0.41 -1.11 0.00 0.00 175.55 173.07 2w01 n GLY 562 N 5.37 2.38 3.31 0.71 0.00 -0.49 -4.95 105.19 111.53 2w01 n GLY 562 Ca 0.18 -2.26 -0.11 0.00 0.00 0.00 0.00 46.02 43.82 2w01 n GLY 562 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w01 s VAL 563 N -2.64 -0.02 -0.02 1.61 0.11 -1.26 -2.97 120.40 115.22 2w01 s VAL 563 Ca 0.45 0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.54 2w01 s VAL 563 Cb -0.04 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 2w01 s VAL 563 CO 0.28 0.02 0.04 -0.69 -3.33 0.00 0.00 175.10 171.43 2w01 s VAL 564 N 1.00 -0.01 0.00 2.04 1.01 0.24 -4.96 120.40 119.73 2w01 s VAL 564 Ca -0.06 0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2w01 s VAL 564 Cb -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.24 2w01 s VAL 564 CO -0.08 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.65 2w01 n GLY 565 N 3.33 3.46 0.37 4.51 0.00 -1.26 -0.58 105.19 115.02 2w01 n GLY 565 Ca -0.16 -1.47 0.14 0.00 0.00 0.00 0.00 46.02 44.53 2w01 n GLY 565 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w01 h ALA 566 N 0.00 1.85 0.02 4.61 0.00 -2.00 -2.53 119.26 121.20 2w01 h ALA 566 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 2w01 h ALA 566 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2w01 h ALA 566 CO 0.00 -0.73 -1.31 0.37 0.00 0.00 0.00 179.25 177.57 2w01 h GLN 567 N 0.00 0.04 -0.28 0.00 5.75 -1.91 -1.81 115.11 116.90 2w01 h GLN 567 Ca 0.10 -0.06 -0.16 0.00 -0.15 0.00 0.00 58.65 58.37 2w01 h GLN 567 Cb 1.35 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.92 2w01 h GLN 567 CO -0.00 0.84 -0.46 -0.24 -2.65 0.00 0.00 178.83 176.32 2w01 h VAL 568 N 0.01 1.29 -0.62 2.39 3.04 -1.78 -3.03 116.25 117.55 2w01 h VAL 568 Ca -0.14 -1.65 -0.02 0.00 -1.01 0.00 0.00 66.70 63.88 2w01 h VAL 568 Cb 1.89 1.65 -0.03 0.00 -2.01 0.00 0.00 31.29 32.78 2w01 h VAL 568 CO 0.12 0.53 0.28 0.78 -1.01 0.00 0.00 177.57 178.27 2w01 h ASN 569 N 0.57 0.79 -0.64 3.17 2.35 -1.58 -2.88 115.58 117.37 2w01 h ASN 569 Ca 0.02 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 2w01 h ASN 569 Cb 1.06 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.20 2w01 h ASN 569 CO 0.11 0.69 0.30 0.25 -1.65 0.00 0.00 177.43 177.12 2w01 h LEU 570 N 0.87 0.87 -1.00 1.61 6.46 -1.26 -2.53 115.31 120.33 2w01 h LEU 570 Ca 0.21 -0.10 -0.10 0.00 -0.12 0.00 0.00 57.88 57.77 2w01 h LEU 570 Cb 0.11 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 2w01 h LEU 570 CO -0.03 0.76 -0.45 0.00 -0.62 0.00 0.00 178.44 178.10 2w01 h THR 571 N 0.95 1.17 -0.09 1.05 1.03 -1.39 -0.71 112.91 114.92 2w01 h THR 571 Ca 0.23 -1.63 -0.19 0.00 -0.01 0.00 0.00 66.41 64.80 2w01 h THR 571 Cb 0.14 1.92 -0.00 0.00 -1.07 0.00 0.00 68.15 69.13 2w01 h THR 571 CO -0.03 0.44 -0.75 1.88 -0.01 0.00 0.00 175.52 177.06 2w01 h TYR 572 N 0.00 0.67 -0.42 0.00 -1.99 -1.53 -2.42 116.97 111.28 2w01 h TYR 572 Ca -0.00 -0.30 -0.00 0.00 2.00 0.00 0.00 58.73 60.42 2w01 h TYR 572 Cb 0.88 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.49 2w01 h TYR 572 CO 0.00 1.07 0.25 0.00 -0.00 0.00 0.00 178.16 179.48 2w01 h ARG 573 N 0.33 0.57 -0.76 4.88 2.47 -1.03 -2.06 114.38 118.79 2w01 h ARG 573 Ca -0.04 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 2w01 h ARG 573 Cb 1.34 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 29.50 2w01 h ARG 573 CO 0.13 0.43 0.44 0.82 0.56 0.00 0.00 179.97 182.36 2w01 h ILE 574 N 0.55 1.22 -0.36 2.04 2.04 -1.16 -2.37 117.51 119.48 2w01 h ILE 574 Ca 0.15 -0.51 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 2w01 h ILE 574 Cb 0.01 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 2w01 h ILE 574 CO -0.03 0.23 -0.08 -0.08 0.00 0.00 0.00 178.15 178.20 2w01 h GLU 575 N 1.04 0.60 0.00 2.37 4.22 -1.33 -3.12 114.58 118.35 2w01 h GLU 575 Ca 0.27 -0.17 -0.01 0.00 0.08 0.00 0.00 59.36 59.54 2w01 h GLU 575 Cb -0.01 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2w01 h GLU 575 CO -0.05 0.68 -0.04 0.66 -2.18 0.00 0.00 179.01 178.08 2w01 h SER 576 N 0.56 0.00 0.72 1.04 4.64 -0.81 -1.50 113.55 118.20 2w01 h SER 576 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2w01 h SER 576 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2w01 h SER 576 CO 0.03 0.04 0.00 -1.22 -0.87 0.00 0.00 176.83 174.80 2w01 n TYR 577 N -4.18 0.00 -2.69 4.77 4.01 -1.18 -4.85 117.16 113.04 2w01 n TYR 577 Ca -0.03 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.38 2w01 n TYR 577 Cb 0.12 -0.43 -0.06 0.00 -0.31 0.00 0.00 39.34 38.66 2w01 n TYR 577 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2w01 s THR 578 N -2.87 4.21 0.57 -0.72 2.01 -0.57 -5.08 115.64 113.20 2w01 s THR 578 Ca 0.16 1.35 0.09 0.00 0.31 0.00 0.00 61.69 63.59 2w01 s THR 578 Cb 0.16 -3.56 0.08 0.00 0.01 0.00 0.00 72.50 69.19 2w01 s THR 578 CO 0.42 -0.33 0.71 0.42 -0.69 0.00 0.00 174.62 175.16 2w01 s THR 579 N -2.16 2.02 0.21 -0.82 -4.23 -1.26 -4.97 115.64 104.44 2w01 s THR 579 Ca 0.63 -1.11 -0.32 0.00 -1.18 0.00 0.00 61.69 59.72 2w01 s THR 579 Cb -0.11 -2.13 -0.13 0.00 1.34 0.00 0.00 72.50 71.47 2w01 s THR 579 CO 0.17 0.00 1.57 0.61 -0.54 0.00 0.00 174.62 176.43 2w01 n GLY 580 N -2.15 1.17 0.94 3.99 0.00 -1.26 -2.06 105.19 105.83 2w01 n GLY 580 Ca 0.12 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.72 2w01 n GLY 580 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w01 n GLY 581 N 3.04 3.34 3.93 -0.02 0.00 -0.21 -4.89 105.19 110.38 2w01 n GLY 581 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 2w01 n GLY 581 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2w01 s GLN 582 N -0.71 3.50 -0.20 1.61 -2.07 -0.87 -4.99 119.66 115.94 2w01 s GLN 582 Ca 0.00 -0.39 0.01 0.00 -1.82 0.00 0.00 55.36 53.16 2w01 s GLN 582 Cb 0.00 -2.87 0.03 0.00 -1.09 0.00 0.00 33.01 29.08 2w01 s GLN 582 CO 0.00 0.43 -0.18 0.42 -1.32 0.00 0.00 175.29 174.64 2w01 s ILE 583 N -1.84 2.08 -0.24 3.63 1.01 -1.26 -1.56 121.20 123.02 2w01 s ILE 583 Ca 0.38 -1.10 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 2w01 s ILE 583 Cb -0.11 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 2w01 s ILE 583 CO 0.29 0.40 0.08 -0.36 0.00 0.00 0.00 174.94 175.35 2w01 s PHE 584 N 1.25 3.12 0.05 3.97 2.99 -0.09 -0.70 117.98 128.57 2w01 s PHE 584 Ca 0.02 -0.28 0.08 0.00 0.00 0.00 0.00 56.93 56.75 2w01 s PHE 584 Cb -0.15 -2.22 -0.03 0.00 0.00 0.00 0.00 43.02 40.62 2w01 s PHE 584 CO -0.11 -0.24 -0.19 0.96 -0.00 0.00 0.00 175.22 175.63 2w01 s ILE 585 N 1.38 2.70 0.86 0.64 -4.36 -0.52 -0.86 121.20 121.04 2w01 s ILE 585 Ca 0.05 -1.26 -0.11 0.00 -0.26 0.00 0.00 60.65 59.07 2w01 s ILE 585 Cb -0.15 -2.14 0.11 0.00 1.25 0.00 0.00 42.46 41.53 2w01 s ILE 585 CO 0.04 0.31 1.09 -0.94 0.24 0.00 0.00 174.94 175.68 2w01 s SER 586 N -1.50 3.77 0.36 4.36 1.04 -0.44 -0.74 113.70 120.54 2w01 s SER 586 Ca 0.15 1.55 0.08 0.00 0.48 0.00 0.00 55.95 58.20 2w01 s SER 586 Cb -0.10 -2.24 0.78 0.00 0.10 0.00 0.00 66.02 64.56 2w01 s SER 586 CO 0.05 -2.46 1.90 0.28 0.98 0.00 0.00 173.24 174.00 2w01 h SER 587 N -1.43 0.66 -0.38 7.02 0.02 -1.86 -1.81 113.55 115.77 2w01 h SER 587 Ca -0.48 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.43 2w01 h SER 587 Cb 1.27 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2w01 h SER 587 CO 0.54 0.38 0.00 0.71 -1.14 0.00 0.00 176.83 177.32 2w01 h THR 588 N 0.73 1.24 -0.37 -2.27 1.35 -1.90 -1.14 112.91 110.55 2w01 h THR 588 Ca 0.39 -0.97 -0.16 0.00 -0.55 0.00 0.00 66.41 65.13 2w01 h THR 588 Cb 0.53 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 2w01 h THR 588 CO -0.16 0.34 -0.38 0.74 -0.25 0.00 0.00 175.52 175.81 2w01 h THR 589 N 0.71 1.28 -0.25 6.82 2.02 -1.73 -2.00 112.91 119.75 2w01 h THR 589 Ca 0.14 -1.56 -0.03 0.00 0.77 0.00 0.00 66.41 65.73 2w01 h THR 589 Cb 0.43 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2w01 h THR 589 CO 0.02 0.52 0.03 0.25 0.37 0.00 0.00 175.52 176.70 2w01 h LEU 590 N 0.72 0.42 -0.89 2.58 5.85 -0.86 0.48 115.31 123.61 2w01 h LEU 590 Ca 0.06 -0.28 -0.11 0.00 0.84 0.00 0.00 57.88 58.39 2w01 h LEU 590 Cb 0.97 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2w01 h LEU 590 CO 0.09 0.59 -0.41 1.05 -0.34 0.00 0.00 178.44 179.42 2w01 h GLU 591 N 0.23 0.30 -0.00 1.25 4.11 -1.27 0.28 114.58 119.48 2w01 h GLU 591 Ca 0.08 -0.14 -0.18 0.00 0.07 0.00 0.00 59.36 59.18 2w01 h GLU 591 Cb 0.36 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2w01 h GLU 591 CO 0.01 0.66 -0.82 0.00 0.07 0.00 0.00 179.01 178.94 2w01 h ALA 592 N 1.32 0.64 0.15 1.06 0.00 -1.08 -3.24 119.26 118.11 2w01 h ALA 592 Ca 0.02 -0.72 -0.29 0.00 0.00 0.00 0.00 54.91 53.93 2w01 h ALA 592 Cb 0.83 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.53 2w01 h ALA 592 CO 0.07 0.96 -1.29 0.00 0.00 0.00 0.00 179.25 178.99 2w01 h ALA 593 N 1.13 0.04 0.00 0.00 0.00 0.10 -3.43 119.26 117.10 2w01 h ALA 593 Ca -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2w01 h ALA 593 Cb 1.43 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2w01 h ALA 593 CO 0.11 0.88 0.00 0.41 0.00 0.00 0.00 179.25 180.65 2w01 n GLY 594 N 1.53 -2.46 0.29 0.00 0.00 0.97 -4.60 105.19 100.92 2w01 n GLY 594 Ca -0.11 -1.60 0.24 0.00 0.00 0.00 0.00 46.02 44.55 2w01 n GLY 594 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2w01 n ASP 595 N -0.59 0.08 0.07 1.61 -0.08 -1.26 -1.98 116.55 114.39 2w01 n ASP 595 Ca 0.00 0.67 0.13 0.00 -1.51 0.00 0.00 54.79 54.08 2w01 n ASP 595 Cb 0.00 -0.33 0.43 0.00 2.34 0.00 0.00 41.12 43.56 2w01 n ASP 595 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2w01 n ARG 596 N -3.50 0.20 -2.56 -0.67 1.74 -1.26 -4.64 116.66 105.96 2w01 n ARG 596 Ca 0.22 0.15 -0.43 0.00 -0.77 0.00 0.00 57.85 57.02 2w01 n ARG 596 Cb 0.91 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 30.61 2w01 n ARG 596 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2w01 s VAL 597 N -3.08 4.50 -0.17 1.55 1.01 -0.84 -0.33 120.40 123.04 2w01 s VAL 597 Ca 0.11 1.80 -0.11 0.00 0.00 0.00 0.00 61.98 63.78 2w01 s VAL 597 Cb 0.14 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 2w01 s VAL 597 CO 0.60 -0.04 0.21 -1.00 0.00 0.00 0.00 175.10 174.87 2w01 s HIS 598 N 2.42 3.47 -0.05 5.22 3.76 0.32 -4.98 115.29 125.44 2w01 s HIS 598 Ca 0.52 0.49 0.03 0.00 -0.15 0.00 0.00 55.06 55.94 2w01 s HIS 598 Cb -0.21 -2.21 0.01 0.00 1.11 0.00 0.00 32.58 31.28 2w01 s HIS 598 CO 0.18 0.34 -0.13 0.08 -0.85 0.00 0.00 174.74 174.35 2w01 s VAL 599 N 0.17 1.18 -1.57 -0.90 1.01 -1.26 0.07 120.40 119.11 2w01 s VAL 599 Ca 0.13 -0.54 0.26 0.00 0.00 0.00 0.00 61.98 61.84 2w01 s VAL 599 Cb -0.12 -1.05 0.23 0.00 0.00 0.00 0.00 36.38 35.43 2w01 s VAL 599 CO 0.02 0.36 1.57 0.59 0.00 0.00 0.00 175.10 177.64 2w01 n ASN 600 N 3.54 0.83 0.00 3.32 5.03 0.76 -4.81 115.26 123.93 2w01 n ASN 600 Ca -0.21 -0.69 0.00 0.00 0.87 0.00 0.00 54.58 54.55 2w01 n ASN 600 Cb 0.52 0.13 0.00 0.00 -1.02 0.00 0.00 39.78 39.41 2w01 n ASN 600 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2w01 n GLY 601 N 1.37 2.09 3.15 7.41 0.00 -1.26 -4.97 105.19 112.98 2w01 n GLY 601 Ca 0.11 -1.64 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 2w01 n GLY 601 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w01 s ASN 602 N 0.00 0.33 0.04 1.61 4.22 -1.26 -1.34 114.94 118.54 2w01 s ASN 602 Ca 0.00 -1.00 0.03 0.00 -2.14 0.00 0.00 52.86 49.74 2w01 s ASN 602 Cb 0.00 0.28 -0.02 0.00 1.28 0.00 0.00 41.25 42.78 2w01 s ASN 602 CO 0.00 -0.69 -0.09 -0.13 -2.04 0.00 0.00 177.10 174.15 2w01 s ARG 603 N -3.96 0.58 -0.21 3.55 0.52 -0.32 -4.98 118.95 114.13 2w01 s ARG 603 Ca 0.13 -0.74 -0.03 0.00 -0.52 0.00 0.00 55.73 54.58 2w01 s ARG 603 Cb 0.07 -0.42 -0.00 0.00 0.52 0.00 0.00 34.95 35.12 2w01 s ARG 603 CO -0.05 0.09 -0.08 0.99 0.02 0.00 0.00 175.30 176.26 2w01 s THR 604 N -1.22 3.03 -0.02 0.02 2.01 -1.26 -0.71 115.64 117.49 2w01 s THR 604 Ca -0.07 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.34 2w01 s THR 604 Cb -0.09 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.06 2w01 s THR 604 CO 0.01 0.46 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.64 2w01 s VAL 605 N 1.40 0.53 -0.44 3.82 1.01 -0.52 -4.97 120.40 121.22 2w01 s VAL 605 Ca 0.05 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2w01 s VAL 605 Cb -0.14 -0.48 0.15 0.00 0.00 0.00 0.00 36.38 35.92 2w01 s VAL 605 CO -0.06 0.17 0.31 -1.58 0.00 0.00 0.00 175.10 173.95 2w01 s GLN 606 N 0.18 1.12 0.70 2.72 -0.44 -1.26 -0.11 119.66 122.58 2w01 s GLN 606 Ca -0.02 -2.08 -0.13 0.00 -2.50 0.00 0.00 55.36 50.63 2w01 s GLN 606 Cb -0.06 -1.88 0.02 0.00 -1.64 0.00 0.00 33.01 29.45 2w01 s GLN 606 CO -0.00 -1.28 1.11 -2.14 0.50 0.00 0.00 175.29 173.47 2w01 s PRO 607 N 0.15 2.58 0.16 1.67 0.02 -1.26 -4.93 135.00 133.39 2w01 s PRO 607 Ca 0.25 1.33 -0.33 0.00 0.02 0.00 0.00 61.00 62.26 2w01 s PRO 607 Cb -0.10 -1.93 -0.16 0.00 0.02 0.00 0.00 34.50 32.33 2w01 s PRO 607 CO -0.10 -1.41 1.13 1.63 -0.33 0.00 0.00 177.00 177.92 2w01 n LYS 608 N -2.82 1.05 -0.87 5.54 5.02 -1.26 -2.11 118.16 122.71 2w01 n LYS 608 Ca 0.10 0.37 -0.01 0.00 -2.02 0.00 0.00 58.31 56.76 2w01 n LYS 608 Cb 0.52 -1.85 -0.00 0.00 -0.02 0.00 0.00 35.03 33.68 2w01 n LYS 608 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2w01 n GLY 609 N 1.99 0.06 3.87 0.72 0.00 -1.26 -4.96 105.19 105.61 2w01 n GLY 609 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2w01 n GLY 609 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2w01 s VAL 610 N -0.90 4.87 0.00 1.61 -7.23 -0.90 -5.07 120.40 112.77 2w01 s VAL 610 Ca 0.00 0.52 0.00 0.00 -1.81 0.00 0.00 61.98 60.69 2w01 s VAL 610 Cb 0.00 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.28 2w01 s VAL 610 CO 0.00 -0.23 0.00 0.29 -0.31 0.00 0.00 175.10 174.85 2w01 n LYS 611 N -0.56 0.00 -1.43 4.82 4.01 -1.26 -4.85 118.16 118.88 2w01 n LYS 611 Ca 0.01 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.63 2w01 n LYS 611 Cb 0.53 -0.23 0.12 0.00 -0.51 0.00 0.00 35.03 34.95 2w01 n LYS 611 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2w01 n ASP 612 N 0.00 0.28 -4.76 4.39 8.00 -1.26 -5.06 116.55 118.14 2w01 n ASP 612 Ca 0.00 -1.43 -0.39 0.00 0.71 0.00 0.00 54.79 53.67 2w01 n ASP 612 Cb 0.00 -0.62 -0.06 0.00 -0.02 0.00 0.00 41.12 40.42 2w01 n ASP 612 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2w01 s PRO 613 N -4.75 4.78 -0.16 -0.24 0.04 -1.26 -4.73 135.00 128.67 2w01 s PRO 613 Ca 0.49 1.47 -0.00 0.00 0.04 0.00 0.00 61.00 62.99 2w01 s PRO 613 Cb -0.02 -3.16 -0.00 0.00 0.04 0.00 0.00 34.50 31.37 2w01 s PRO 613 CO 0.34 0.44 -0.14 0.08 0.04 0.00 0.00 177.00 177.76 2w01 s VAL 614 N -1.29 2.72 -0.10 -0.36 1.01 0.84 -4.95 120.40 118.29 2w01 s VAL 614 Ca 0.43 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 61.47 2w01 s VAL 614 Cb -0.24 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2w01 s VAL 614 CO 0.30 0.51 0.54 0.54 0.00 0.00 0.00 175.10 176.99 2w01 s VAL 615 N 0.87 5.13 0.08 2.92 0.11 -1.26 -1.44 120.40 126.81 2w01 s VAL 615 Ca -0.04 1.09 0.06 0.00 -2.93 0.00 0.00 61.98 60.16 2w01 s VAL 615 Cb -0.15 -3.88 -0.04 0.00 -1.53 0.00 0.00 36.38 30.78 2w01 s VAL 615 CO -0.01 0.32 -0.09 0.27 -3.33 0.00 0.00 175.10 172.26 2w01 s ILE 616 N 0.58 3.45 -0.10 7.04 -4.36 0.11 -2.52 121.20 125.41 2w01 s ILE 616 Ca 0.29 -1.13 0.04 0.00 -0.26 0.00 0.00 60.65 59.59 2w01 s ILE 616 Cb -0.16 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 40.97 2w01 s ILE 616 CO 0.13 0.19 -0.22 0.26 0.24 0.00 0.00 174.94 175.54 2w01 s TRP 617 N -1.16 2.37 -0.25 1.37 0.52 0.09 -1.18 118.94 120.71 2w01 s TRP 617 Ca 0.20 -0.98 -0.29 0.00 0.02 0.00 0.00 56.10 55.06 2w01 s TRP 617 Cb -0.11 -1.60 0.01 0.00 -1.15 0.00 0.00 33.47 30.61 2w01 s TRP 617 CO 0.12 -0.41 1.10 0.34 0.02 0.00 0.00 176.95 178.12 2w01 s ASP 618 N 0.43 7.01 -0.14 2.95 3.68 -0.45 -1.44 116.67 128.71 2w01 s ASP 618 Ca -0.17 1.34 -0.26 0.00 2.13 0.00 0.00 52.55 55.58 2w01 s ASP 618 Cb -0.17 -2.54 -0.02 0.00 -1.45 0.00 0.00 42.92 38.74 2w01 s ASP 618 CO 0.07 -0.76 0.86 -0.69 0.13 0.00 0.00 175.17 174.79 2w01 s VAL 619 N 3.43 4.87 -0.04 1.11 1.01 0.12 -0.17 120.40 130.73 2w01 s VAL 619 Ca 0.47 1.72 -0.11 0.00 0.00 0.00 0.00 61.98 64.05 2w01 s VAL 619 Cb -0.15 -4.17 -0.31 0.00 0.00 0.00 0.00 36.38 31.74 2w01 s VAL 619 CO 0.11 0.04 0.71 0.00 0.00 0.00 0.00 175.10 175.96 2w01 h ALA 620 N 7.22 0.13 0.00 5.51 0.00 -0.68 -3.42 119.26 128.02 2w01 h ALA 620 Ca -0.31 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.49 2w01 h ALA 620 Cb 1.14 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2w01 h ALA 620 CO 0.83 1.00 0.00 0.41 0.00 0.00 0.00 179.25 181.49 2w01 n GLY 621 N 1.84 -0.60 3.18 0.00 0.00 -1.03 -1.48 105.19 107.11 2w01 n GLY 621 Ca -0.24 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.56 2w01 n GLY 621 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w01 s VAL 622 N -2.00 1.62 0.00 1.61 1.01 0.20 -0.52 120.40 122.32 2w01 s VAL 622 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2w01 s VAL 622 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 35.00 2w01 s VAL 622 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2w01 n GLY 623 N 3.02 1.01 3.75 4.51 0.00 0.55 -1.27 105.19 116.76 2w01 n GLY 623 Ca -0.18 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 2w01 n GLY 623 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2w01 s GLU 624 N 0.45 4.35 0.00 1.61 2.56 -1.26 -1.11 118.70 125.29 2w01 s GLU 624 Ca 0.00 2.18 0.20 0.00 0.00 0.00 0.00 54.97 57.35 2w01 s GLU 624 Cb 0.00 -3.12 0.98 0.00 2.00 0.00 0.00 34.13 33.99 2w01 s GLU 624 CO 0.00 -0.25 1.66 -0.35 -0.56 0.00 0.00 175.26 175.75 2w01 n PRO 625 N 1.72 1.28 0.05 4.30 -0.04 -1.26 -4.88 135.00 136.17 2w01 n PRO 625 Ca 0.03 -0.42 -0.22 0.00 -0.04 0.00 0.00 63.50 62.85 2w01 n PRO 625 Cb 0.42 -1.33 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 2w01 n PRO 625 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2w01 h TYR 626 N 0.86 0.60 -7.01 0.54 0.05 -1.37 -3.48 116.97 107.17 2w01 h TYR 626 Ca 0.00 -0.44 -0.61 0.00 0.05 0.00 0.00 58.73 57.73 2w01 h TYR 626 Cb 0.19 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 37.83 2w01 h TYR 626 CO 0.04 1.59 -1.00 0.09 -1.05 0.00 0.00 178.16 177.83 2w01 n ASN 627 N -3.79 -2.64 -4.56 3.88 3.02 -0.77 -4.97 115.26 105.44 2w01 n ASN 627 Ca -0.24 -1.30 -0.34 0.00 -0.03 0.00 0.00 54.58 52.67 2w01 n ASN 627 Cb 0.98 -1.58 -0.11 0.00 -0.61 0.00 0.00 39.78 38.47 2w01 n ASN 627 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2w01 s LEU 628 N -7.48 3.53 -0.03 3.41 1.43 -0.40 -4.98 118.68 114.17 2w01 s LEU 628 Ca 0.36 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.46 2w01 s LEU 628 Cb -0.20 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 2w01 s LEU 628 CO 0.98 0.15 -0.16 -0.55 0.23 0.00 0.00 176.35 177.00 2w01 s SER 629 N 0.51 1.94 0.11 2.29 0.15 -1.26 -0.63 113.70 116.81 2w01 s SER 629 Ca 0.00 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.38 2w01 s SER 629 Cb -0.13 -0.47 -0.23 0.00 -1.71 0.00 0.00 66.02 63.48 2w01 s SER 629 CO 0.02 0.15 1.24 -0.07 1.20 0.00 0.00 173.24 175.77 2w01 h LEU 630 N 6.16 0.14 -8.11 3.45 3.38 -1.61 -3.47 115.31 115.25 2w01 h LEU 630 Ca -0.33 -0.15 -0.79 0.00 0.09 0.00 0.00 57.88 56.70 2w01 h LEU 630 Cb 1.17 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2w01 h LEU 630 CO 0.48 1.11 0.71 0.00 0.09 0.00 0.00 178.44 180.84 2w01 n ALA 631 N -2.41 -1.04 -0.85 1.53 0.00 -1.26 -5.11 120.51 111.36 2w01 n ALA 631 Ca -0.03 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2w01 n ALA 631 Cb 0.97 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2w01 n ALA 631 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05