#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grq s ALA 432 N 0.00 1.49 0.18 3.55 0.00 -1.21 -5.01 121.76 120.76 2grq s ALA 432 Ca 0.00 -1.87 0.05 0.00 0.00 0.00 0.00 51.96 50.14 2grq s ALA 432 Cb 0.00 1.43 -0.05 0.00 0.00 0.00 0.00 23.12 24.50 2grq s ALA 432 CO 0.00 -0.63 -0.09 0.16 0.00 0.00 0.00 175.76 175.20 2grq s ASP 433 N -3.27 2.02 0.19 0.00 1.47 -1.26 -4.73 116.67 111.08 2grq s ASP 433 Ca 0.40 -1.06 -0.12 0.00 1.18 0.00 0.00 52.55 52.95 2grq s ASP 433 Cb 0.04 -0.04 0.10 0.00 -0.34 0.00 0.00 42.92 42.68 2grq s ASP 433 CO 0.20 -0.33 1.81 0.58 0.68 0.00 0.00 175.17 178.11 2grq h VAL 434 N 2.65 1.20 -0.53 2.11 2.07 -1.98 -2.42 116.25 119.35 2grq h VAL 434 Ca -0.37 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2grq h VAL 434 Cb 1.21 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2grq h VAL 434 CO 0.64 0.21 0.33 0.28 0.02 0.00 0.00 177.57 179.05 2grq h SER 435 N 0.87 0.63 -0.48 0.57 0.02 -1.97 -0.63 113.55 112.56 2grq h SER 435 Ca 0.23 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 2grq h SER 435 Cb 0.02 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 2grq h SER 435 CO -0.04 0.48 0.06 0.74 -1.14 0.00 0.00 176.83 176.93 2grq h THR 436 N 0.72 1.24 0.19 -2.27 2.02 -1.96 -0.72 112.91 112.12 2grq h THR 436 Ca 0.19 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 2grq h THR 436 Cb -0.04 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2grq h THR 436 CO -0.04 0.35 -0.09 0.15 0.37 0.00 0.00 175.52 176.26 2grq h PHE 437 N 0.82 -0.23 -0.06 3.16 3.57 -0.96 -1.15 116.94 122.08 2grq h PHE 437 Ca 0.17 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2grq h PHE 437 Cb 0.41 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2grq h PHE 437 CO 0.02 -0.03 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.93 2grq h LEU 438 N -0.41 0.08 -0.17 0.59 3.38 -0.95 0.13 115.31 117.96 2grq h LEU 438 Ca -0.03 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2grq h LEU 438 Cb 0.31 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2grq h LEU 438 CO 0.04 0.18 -0.16 0.00 0.09 0.00 0.00 178.44 178.59 2grq h ALA 439 N 1.84 0.25 -2.33 1.53 0.00 -0.89 -3.38 119.26 116.28 2grq h ALA 439 Ca 0.02 -0.33 -0.59 0.00 0.00 0.00 0.00 54.91 54.02 2grq h ALA 439 Cb 0.20 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 17.54 2grq h ALA 439 CO 0.01 0.15 -0.91 1.19 0.00 0.00 0.00 179.25 179.69 2grq n PHE 440 N -4.52 0.53 -1.71 0.00 3.01 -0.46 -5.10 117.46 109.22 2grq n PHE 440 Ca -0.06 -3.66 -0.43 0.00 1.01 0.00 0.00 57.45 54.31 2grq n PHE 440 Cb 0.37 -0.19 -0.02 0.00 -0.01 0.00 0.00 39.48 39.63 2grq n PHE 440 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 2grq n PRO 441 N 1.96 2.45 -3.57 -1.08 -0.02 0.42 -4.71 135.00 130.44 2grq n PRO 441 Ca 0.25 0.87 -0.17 0.00 -2.02 0.00 0.00 63.50 62.44 2grq n PRO 441 Cb 0.47 -2.61 -0.07 0.00 -0.02 0.00 0.00 33.50 31.27 2grq n PRO 441 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2grq s SER 442 N 0.49 -0.59 0.24 2.55 1.04 -1.26 -4.95 113.70 111.22 2grq s SER 442 Ca 0.67 0.71 -0.05 0.00 0.48 0.00 0.00 55.95 57.76 2grq s SER 442 Cb -0.56 0.62 0.40 0.00 0.10 0.00 0.00 66.02 66.58 2grq s SER 442 CO 0.47 -0.53 1.78 -0.65 0.98 0.00 0.00 173.24 175.29 2grq h PRO 443 N 3.43 0.61 -0.49 4.02 0.11 -1.96 -1.96 132.00 135.77 2grq h PRO 443 Ca -0.28 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 2grq h PRO 443 Cb 1.15 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 2grq h PRO 443 CO 0.35 0.40 0.29 0.93 -0.21 0.00 0.00 178.00 179.76 2grq h GLU 444 N 0.63 0.66 -0.48 1.05 3.07 -1.96 -2.05 114.58 115.50 2grq h GLU 444 Ca 0.39 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 59.12 2grq h GLU 444 Cb 0.45 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 2grq h GLU 444 CO -0.30 0.49 0.03 0.87 -1.40 0.00 0.00 179.01 178.71 2grq h LYS 445 N 0.65 0.77 -0.28 2.33 1.57 -1.81 0.08 116.57 119.87 2grq h LYS 445 Ca 0.17 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2grq h LYS 445 Cb 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2grq h LYS 445 CO -0.03 0.75 0.15 1.25 -0.57 0.00 0.00 179.45 181.00 2grq h LEU 446 N 0.73 0.35 -1.16 2.94 5.85 -0.99 -2.35 115.31 120.67 2grq h LEU 446 Ca 0.15 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 2grq h LEU 446 Cb 0.40 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2grq h LEU 446 CO 0.01 0.35 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.20 2grq h LEU 447 N 0.33 0.35 -1.79 2.25 3.38 -1.03 -2.26 115.31 116.55 2grq h LEU 447 Ca 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2grq h LEU 447 Cb 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2grq h LEU 447 CO -0.01 0.56 0.00 0.03 0.09 0.00 0.00 178.44 179.10 2grq h ARG 448 N 0.33 0.00 0.00 1.13 3.08 -0.49 -2.20 114.38 116.23 2grq h ARG 448 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2grq h ARG 448 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2grq h ARG 448 CO 0.03 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 178.86 2grq h LEU 449 N 0.00 0.00 0.00 3.04 3.38 -0.93 -3.21 115.31 117.59 2grq h LEU 449 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2grq h LEU 449 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2grq h LEU 449 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2grq n GLY 450 N -0.47 0.86 0.08 0.83 0.00 -0.83 -4.35 105.19 101.32 2grq n GLY 450 Ca -0.00 -2.10 0.09 0.00 0.00 0.00 0.00 46.02 44.01 2grq n GLY 450 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2grq n PRO 451 N 0.52 0.11 -0.51 1.61 -0.04 -1.26 -2.00 135.00 133.42 2grq n PRO 451 Ca 0.00 0.42 0.08 0.00 -0.04 0.00 0.00 63.50 63.96 2grq n PRO 451 Cb 0.00 -1.74 0.28 0.00 -0.04 0.00 0.00 33.50 32.01 2grq n PRO 451 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2grq n LYS 452 N -1.94 3.38 -0.25 0.54 5.02 -1.26 -4.68 118.16 118.97 2grq n LYS 452 Ca 0.02 -2.78 0.19 0.00 -2.02 0.00 0.00 58.31 53.71 2grq n LYS 452 Cb 0.15 -1.84 0.50 0.00 -0.02 0.00 0.00 35.03 33.82 2grq n LYS 452 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2grq h SER 453 N 2.54 0.43 -0.41 4.39 4.64 -1.60 -0.94 113.55 122.60 2grq h SER 453 Ca 0.00 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 2grq h SER 453 Cb 1.43 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.47 2grq h SER 453 CO 0.24 0.17 0.20 0.77 -0.87 0.00 0.00 176.83 177.33 2grq h SER 454 N 0.43 0.53 -0.59 4.97 4.64 -1.86 -1.38 113.55 120.29 2grq h SER 454 Ca 0.48 -0.12 -0.10 0.00 -0.47 0.00 0.00 61.79 61.57 2grq h SER 454 Cb 1.15 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 2grq h SER 454 CO -0.19 0.50 -0.03 0.58 -0.87 0.00 0.00 176.83 176.82 2grq h VAL 455 N 0.52 1.27 -0.67 0.95 2.07 -1.55 -3.01 116.25 115.82 2grq h VAL 455 Ca 0.14 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 2grq h VAL 455 Cb 0.11 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2grq h VAL 455 CO -0.02 0.43 0.32 -0.07 0.02 0.00 0.00 177.57 178.25 2grq h LEU 456 N 0.96 0.89 -0.39 2.57 3.38 -1.00 0.14 115.31 121.85 2grq h LEU 456 Ca 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2grq h LEU 456 Cb 0.60 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2grq h LEU 456 CO 0.04 0.78 0.22 0.40 0.09 0.00 0.00 178.44 179.96 2grq h ILE 457 N 0.94 1.14 -0.31 1.22 1.08 -1.22 -0.41 117.51 119.95 2grq h ILE 457 Ca 0.23 -0.35 -0.08 0.00 -0.39 0.00 0.00 64.86 64.27 2grq h ILE 457 Cb 0.13 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 2grq h ILE 457 CO -0.03 0.14 -0.12 0.00 -0.69 0.00 0.00 178.15 177.46 2grq h ALA 458 N 1.08 0.43 -0.83 1.87 0.00 -1.39 -2.79 119.26 117.64 2grq h ALA 458 Ca 0.14 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2grq h ALA 458 Cb 0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2grq h ALA 458 CO -0.02 0.30 0.55 0.37 0.00 0.00 0.00 179.25 180.45 2grq h GLN 459 N 0.39 1.08 -0.17 0.00 4.15 -0.55 -2.73 115.11 117.28 2grq h GLN 459 Ca 0.07 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2grq h GLN 459 Cb 0.63 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.08 2grq h GLN 459 CO 0.04 0.72 0.00 1.04 -1.93 0.00 0.00 178.83 178.70 2grq n GLN 460 N -4.51 1.62 -4.29 1.69 1.13 -0.18 -4.84 117.38 107.99 2grq n GLN 460 Ca 0.09 -0.94 -0.34 0.00 -1.94 0.00 0.00 57.00 53.86 2grq n GLN 460 Cb 0.02 -1.34 -0.11 0.00 0.11 0.00 0.00 30.24 28.92 2grq n GLN 460 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2grq s THR 461 N -1.78 4.22 -0.96 5.09 2.01 -1.03 -5.03 115.64 118.16 2grq s THR 461 Ca 0.29 -0.25 -0.24 0.00 0.31 0.00 0.00 61.69 61.80 2grq s THR 461 Cb 0.15 -2.85 0.02 0.00 0.01 0.00 0.00 72.50 69.84 2grq s THR 461 CO 0.23 0.51 1.56 -0.62 -0.69 0.00 0.00 174.62 175.61 2grq s ASP 462 N 0.10 6.12 0.00 3.53 2.15 -1.26 -4.80 116.67 122.52 2grq s ASP 462 Ca 0.01 -1.14 0.13 0.00 0.43 0.00 0.00 52.55 51.98 2grq s ASP 462 Cb -0.13 -2.57 0.78 0.00 -0.30 0.00 0.00 42.92 40.70 2grq s ASP 462 CO 0.02 -1.85 1.27 0.35 -0.17 0.00 0.00 175.17 174.79 2grq n THR 463 N 7.09 0.00 1.07 1.71 -2.24 -1.26 -2.41 114.28 118.25 2grq n THR 463 Ca 0.32 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.23 2grq n THR 463 Cb 0.50 -0.47 0.44 0.00 -2.10 0.00 0.00 70.33 68.70 2grq n THR 463 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2grq n SER 464 N -0.80 0.34 -4.14 3.42 3.41 -1.26 -4.67 113.62 109.92 2grq n SER 464 Ca 0.10 -0.07 -0.34 0.00 -0.26 0.00 0.00 58.87 58.30 2grq n SER 464 Cb 0.04 -0.07 -0.14 0.00 -0.26 0.00 0.00 64.21 63.79 2grq n SER 464 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2grq s ASP 465 N -2.90 4.86 0.28 4.04 -1.08 -1.01 -5.00 116.67 115.85 2grq s ASP 465 Ca 0.15 -1.46 0.01 0.00 -0.52 0.00 0.00 52.55 50.74 2grq s ASP 465 Cb 0.18 -1.69 0.60 0.00 -1.46 0.00 0.00 42.92 40.55 2grq s ASP 465 CO 0.60 -0.29 1.78 -0.65 0.52 0.00 0.00 175.17 177.12 2grq h PRO 466 N 7.94 0.71 -0.83 4.34 0.11 -1.86 -0.85 132.00 141.55 2grq h PRO 466 Ca -0.18 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.87 2grq h PRO 466 Cb 1.05 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.96 2grq h PRO 466 CO 0.54 0.47 0.45 1.49 -0.21 0.00 0.00 178.00 180.75 2grq h GLU 467 N 0.73 1.16 -0.06 1.05 4.57 -1.94 -0.36 114.58 119.73 2grq h GLU 467 Ca 0.50 -0.13 -0.14 0.00 -1.18 0.00 0.00 59.36 58.41 2grq h GLU 467 Cb 0.70 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 2grq h GLU 467 CO -0.35 0.85 -0.60 0.87 -1.18 0.00 0.00 179.01 178.59 2grq h LYS 468 N 1.16 0.19 -0.38 1.92 1.57 -1.49 -1.69 116.57 117.86 2grq h LYS 468 Ca 0.29 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.82 2grq h LYS 468 Cb 0.03 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2grq h LYS 468 CO -0.05 0.74 -0.21 0.28 -0.57 0.00 0.00 179.45 179.64 2grq h VAL 469 N 0.14 1.28 -0.48 0.50 2.07 -0.81 -1.14 116.25 117.82 2grq h VAL 469 Ca -0.01 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.16 2grq h VAL 469 Cb 1.10 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 2grq h VAL 469 CO 0.09 0.45 0.31 0.58 0.02 0.00 0.00 177.57 179.02 2grq h VAL 470 N 0.62 1.13 -0.14 2.57 2.07 -0.94 0.51 116.25 122.06 2grq h VAL 470 Ca 0.08 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.38 2grq h VAL 470 Cb 0.77 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2grq h VAL 470 CO 0.06 0.12 0.04 -1.28 0.02 0.00 0.00 177.57 176.54 2grq h SER 471 N 0.65 0.04 -0.56 0.57 0.87 -1.10 -0.83 113.55 113.17 2grq h SER 471 Ca 0.17 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 2grq h SER 471 Cb -0.07 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 2grq h SER 471 CO -0.04 0.05 0.24 0.00 -0.53 0.00 0.00 176.83 176.55 2grq h ALA 472 N 1.09 0.73 -0.64 6.23 0.00 -0.97 -0.68 119.26 125.02 2grq h ALA 472 Ca 0.06 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2grq h ALA 472 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2grq h ALA 472 CO -0.07 0.32 0.42 0.35 0.00 0.00 0.00 179.25 180.27 2grq h PHE 473 N 0.77 0.79 -0.26 0.00 3.57 -0.63 -0.77 116.94 120.41 2grq h PHE 473 Ca 0.19 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.54 2grq h PHE 473 Cb 0.17 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 2grq h PHE 473 CO 0.00 0.48 -0.51 -0.07 -2.23 0.00 0.00 178.31 175.98 2grq h LEU 474 N 0.85 0.82 -0.29 0.59 3.38 -0.91 -0.77 115.31 118.98 2grq h LEU 474 Ca 0.24 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2grq h LEU 474 Cb -0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2grq h LEU 474 CO -0.07 1.18 0.03 0.11 0.09 0.00 0.00 178.44 179.79 2grq h LYS 475 N 0.58 0.49 -0.23 1.13 1.57 -0.93 -0.51 116.57 118.67 2grq h LYS 475 Ca 0.02 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2grq h LYS 475 Cb 1.09 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2grq h LYS 475 CO 0.11 0.61 0.09 0.28 -0.57 0.00 0.00 179.45 179.97 2grq h VAL 476 N 0.30 1.17 0.00 0.50 2.07 -1.13 -2.74 116.25 116.41 2grq h VAL 476 Ca 0.09 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2grq h VAL 476 Cb 0.37 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2grq h VAL 476 CO 0.01 0.17 0.00 0.77 0.02 0.00 0.00 177.57 178.53 2grq h SER 477 N 0.21 0.00 0.44 0.57 4.64 -1.08 -2.81 113.55 115.52 2grq h SER 477 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2grq h SER 477 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2grq h SER 477 CO -0.01 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 176.72 2grq h SER 478 N 0.00 0.00 -0.61 4.97 4.64 -0.76 -1.90 113.55 119.89 2grq h SER 478 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2grq h SER 478 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2grq h SER 478 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 2grq n VAL 479 N -3.02 0.81 -1.75 0.95 0.24 -1.06 -4.83 118.33 109.67 2grq n VAL 479 Ca -0.01 -0.86 -0.42 0.00 -2.04 0.00 0.00 64.34 61.01 2grq n VAL 479 Cb 0.17 0.56 -0.01 0.00 -1.47 0.00 0.00 33.84 33.08 2grq n VAL 479 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 2grq n PHE 480 N 1.47 2.88 -3.87 6.34 7.35 -0.71 -4.53 117.46 126.38 2grq n PHE 480 Ca 0.22 0.25 -0.12 0.00 -0.76 0.00 0.00 57.45 57.04 2grq n PHE 480 Cb 0.57 -2.60 -0.14 0.00 0.35 0.00 0.00 39.48 37.67 2grq n PHE 480 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2grq s LYS 481 N -0.52 0.04 -1.32 -4.13 -0.14 -1.26 -4.78 119.74 107.63 2grq s LYS 481 Ca 0.64 -0.02 -0.08 0.00 -1.36 0.00 0.00 55.97 55.14 2grq s LYS 481 Cb -0.49 0.02 -0.07 0.00 -1.68 0.00 0.00 37.83 35.60 2grq s LYS 481 CO 0.49 -0.01 2.59 -3.47 -0.76 0.00 0.00 175.35 174.19 2grq n ASP 482 N 2.97 7.08 -3.93 2.83 2.03 -1.26 -3.43 116.55 122.84 2grq n ASP 482 Ca -0.13 -2.47 -0.17 0.00 0.52 0.00 0.00 54.79 52.54 2grq n ASP 482 Cb 0.60 -1.36 -0.15 0.00 -0.72 0.00 0.00 41.12 39.48 2grq n ASP 482 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2grq s GLU 483 N 2.72 0.49 0.02 -0.67 -6.30 -1.26 -5.02 118.70 108.67 2grq s GLU 483 Ca 0.57 -0.14 -0.04 0.00 -2.50 0.00 0.00 54.97 52.86 2grq s GLU 483 Cb 0.15 -0.50 -0.01 0.00 0.00 0.00 0.00 34.13 33.76 2grq s GLU 483 CO -0.05 0.04 0.84 0.00 0.02 0.00 0.00 175.26 176.11 2grq n ALA 484 N 3.32 -0.09 -0.31 6.30 0.00 -1.26 -0.25 120.51 128.23 2grq n ALA 484 Ca -0.17 0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 2grq n ALA 484 Cb 0.56 0.30 0.08 0.00 0.00 0.00 0.00 19.45 20.38 2grq n ALA 484 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2grq h THR 485 N 0.00 1.22 -0.11 0.00 1.35 -1.99 -1.77 112.91 111.61 2grq h THR 485 Ca 0.02 -0.41 -0.16 0.00 -0.55 0.00 0.00 66.41 65.31 2grq h THR 485 Cb 0.06 0.01 0.01 0.00 -1.73 0.00 0.00 68.15 66.49 2grq h THR 485 CO -0.13 0.21 -0.56 0.58 -0.25 0.00 0.00 175.52 175.38 2grq h VAL 486 N 1.13 1.35 -0.49 6.82 2.07 -1.76 -2.02 116.25 123.35 2grq h VAL 486 Ca 0.30 -1.86 0.02 0.00 0.82 0.00 0.00 66.70 65.98 2grq h VAL 486 Cb -0.11 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 2grq h VAL 486 CO -0.06 0.56 0.30 -0.09 0.02 0.00 0.00 177.57 178.30 2grq h ARG 487 N 0.19 0.59 -0.45 1.57 2.43 -0.55 0.40 114.38 118.56 2grq h ARG 487 Ca -0.04 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 2grq h ARG 487 Cb 1.20 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 2grq h ARG 487 CO 0.12 0.39 0.17 1.98 -1.51 0.00 0.00 179.97 181.12 2grq h MET 488 N 0.61 0.67 -0.35 0.20 4.05 -1.34 -0.15 114.93 118.61 2grq h MET 488 Ca 0.19 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 2grq h MET 488 Cb -0.02 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 2grq h MET 488 CO -0.07 0.62 0.19 0.00 0.23 0.00 0.00 176.91 177.88 2grq h ALA 489 N 1.02 0.45 -0.01 0.39 0.00 -0.93 0.31 119.26 120.49 2grq h ALA 489 Ca 0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2grq h ALA 489 Cb 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2grq h ALA 489 CO -0.01 -0.02 0.00 0.28 0.00 0.00 0.00 179.25 179.50 2grq h VAL 490 N 0.45 1.15 -0.49 0.00 2.07 -0.80 -1.59 116.25 117.03 2grq h VAL 490 Ca 0.12 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.23 2grq h VAL 490 Cb 0.06 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2grq h VAL 490 CO -0.02 0.12 0.27 1.56 0.02 0.00 0.00 177.57 179.51 2grq h GLN 491 N -0.16 0.51 -0.70 1.57 4.20 -0.90 -0.53 115.11 119.10 2grq h GLN 491 Ca 0.00 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 2grq h GLN 491 Cb 0.19 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2grq h GLN 491 CO -0.00 0.34 0.25 -0.44 -0.67 0.00 0.00 178.83 178.30 2grq h ASP 492 N 0.52 0.99 -0.29 1.46 3.32 -0.89 -1.22 116.42 120.32 2grq h ASP 492 Ca 0.21 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2grq h ASP 492 Cb 0.08 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2grq h ASP 492 CO -0.13 0.90 0.05 0.00 -1.72 0.00 0.00 179.24 178.34 2grq h ALA 493 N 1.23 0.38 -0.48 3.45 0.00 -0.80 -1.30 119.26 121.74 2grq h ALA 493 Ca 0.23 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2grq h ALA 493 Cb 0.25 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2grq h ALA 493 CO -0.01 0.07 0.28 0.28 0.00 0.00 0.00 179.25 179.86 2grq h VAL 494 N 0.30 1.03 -0.69 0.00 2.07 -0.92 -0.89 116.25 117.16 2grq h VAL 494 Ca 0.09 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 2grq h VAL 494 Cb 0.33 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 2grq h VAL 494 CO 0.00 0.10 0.32 0.44 0.02 0.00 0.00 177.57 178.46 2grq h ASP 495 N 0.56 0.91 -0.22 0.57 3.32 -1.04 0.59 116.42 121.11 2grq h ASP 495 Ca 0.20 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 2grq h ASP 495 Cb 0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2grq h ASP 495 CO -0.10 0.79 -0.01 0.00 -1.72 0.00 0.00 179.24 178.21 2grq h ALA 496 N 1.15 0.29 0.27 3.45 0.00 -0.95 -1.15 119.26 122.32 2grq h ALA 496 Ca 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2grq h ALA 496 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2grq h ALA 496 CO -0.03 0.02 -0.13 1.25 0.00 0.00 0.00 179.25 180.37 2grq h LEU 497 N 0.15 -0.31 -1.06 0.00 5.85 -1.03 -2.44 115.31 116.46 2grq h LEU 497 Ca 0.06 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 2grq h LEU 497 Cb 0.41 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2grq h LEU 497 CO 0.01 -0.13 -0.43 0.24 -0.34 0.00 0.00 178.44 177.80 2grq h MET 498 N -0.48 0.00 -0.26 1.25 2.86 -0.93 -1.48 114.93 115.89 2grq h MET 498 Ca -0.04 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 2grq h MET 498 Cb 0.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2grq h MET 498 CO 0.06 0.43 -0.04 0.37 1.06 0.00 0.00 176.91 178.78 2grq h GLN 499 N 0.00 0.49 -0.63 1.72 4.15 -1.20 0.23 115.11 119.87 2grq h GLN 499 Ca -0.00 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.22 2grq h GLN 499 Cb 0.84 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.46 2grq h GLN 499 CO 0.06 0.69 0.34 -0.22 -1.93 0.00 0.00 178.83 177.76 2grq h LYS 500 N 0.25 0.88 0.30 1.69 3.64 -1.19 -1.04 116.57 121.10 2grq h LYS 500 Ca 0.07 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2grq h LYS 500 Cb 0.50 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2grq h LYS 500 CO 0.02 0.68 -0.14 0.00 -2.27 0.00 0.00 179.45 177.74 2grq h ALA 501 N 1.16 -0.40 -0.76 5.00 0.00 -1.18 -3.32 119.26 119.77 2grq h ALA 501 Ca 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2grq h ALA 501 Cb 0.06 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2grq h ALA 501 CO -0.03 -0.52 0.37 0.74 0.00 0.00 0.00 179.25 179.81 2grq h PHE 502 N -0.80 1.07 0.00 0.00 0.05 -0.95 -2.67 116.94 113.64 2grq h PHE 502 Ca -0.04 -0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.71 2grq h PHE 502 Cb 0.51 -0.34 0.00 0.00 2.00 0.00 0.00 35.95 38.13 2grq h PHE 502 CO 0.03 0.77 0.00 0.09 -0.18 0.00 0.00 178.31 179.03 2grq n ASN 503 N -4.33 0.00 -4.64 2.17 3.02 -0.40 -4.59 115.26 106.49 2grq n ASN 503 Ca 0.07 -0.02 -0.43 0.00 -0.03 0.00 0.00 54.58 54.18 2grq n ASN 503 Cb 0.13 -0.24 -0.02 0.00 -0.61 0.00 0.00 39.78 39.04 2grq n ASN 503 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2grq s SER 504 N -2.48 6.94 0.61 6.41 0.15 -1.01 -4.89 113.70 119.43 2grq s SER 504 Ca 0.16 1.10 0.31 0.00 0.70 0.00 0.00 55.95 58.22 2grq s SER 504 Cb 0.10 -2.52 1.80 0.00 -1.71 0.00 0.00 66.02 63.69 2grq s SER 504 CO 0.22 -0.77 2.15 -1.28 1.20 0.00 0.00 173.24 174.77 2grq h SER 505 N 7.89 0.00 0.75 5.45 0.87 -1.89 -1.26 113.55 125.37 2grq h SER 505 Ca -0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2grq h SER 505 Cb 1.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2grq h SER 505 CO 0.99 0.00 -1.08 -1.54 -0.53 0.00 0.00 176.83 174.67 2grq n SER 506 N -3.63 0.68 -4.71 6.23 3.41 -1.26 -4.92 113.62 109.43 2grq n SER 506 Ca -0.00 0.16 -0.42 0.00 -0.26 0.00 0.00 58.87 58.35 2grq n SER 506 Cb 0.25 0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 64.83 2grq n SER 506 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2grq s PHE 507 N -3.33 2.80 -0.73 7.33 5.36 -0.48 -4.93 117.98 124.01 2grq s PHE 507 Ca 0.00 0.43 -0.21 0.00 -0.96 0.00 0.00 56.93 56.19 2grq s PHE 507 Cb 0.11 -4.01 0.09 0.00 -0.34 0.00 0.00 43.02 38.87 2grq s PHE 507 CO 0.80 -3.88 0.98 1.21 -1.46 0.00 0.00 175.22 172.87 2grq s ASN 508 N 1.57 6.30 0.43 6.13 3.84 -1.26 -4.88 114.94 127.06 2grq s ASN 508 Ca 0.73 -1.34 0.10 0.00 0.21 0.00 0.00 52.86 52.57 2grq s ASN 508 Cb -0.45 -2.40 0.92 0.00 -0.55 0.00 0.00 41.25 38.78 2grq s ASN 508 CO 0.32 -1.30 2.01 0.28 -2.79 0.00 0.00 177.10 175.63 2grq h SER 509 N 9.32 0.24 -0.53 -4.21 0.02 -1.95 -2.24 113.55 114.20 2grq h SER 509 Ca -0.16 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.66 2grq h SER 509 Cb 1.06 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 2grq h SER 509 CO 1.15 0.28 -0.05 0.78 -1.14 0.00 0.00 176.83 177.85 2grq h ASN 510 N 0.27 0.97 -0.69 3.07 2.35 -2.00 -1.67 115.58 117.89 2grq h ASN 510 Ca 0.07 -0.33 -0.08 0.00 -0.55 0.00 0.00 56.30 55.41 2grq h ASN 510 Cb 0.16 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 2grq h ASN 510 CO 0.00 1.07 0.13 0.74 -1.65 0.00 0.00 177.43 177.72 2grq h THR 511 N 0.85 1.26 0.09 2.81 2.02 -1.86 -0.80 112.91 117.29 2grq h THR 511 Ca 0.14 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2grq h THR 511 Cb 0.60 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2grq h THR 511 CO 0.04 0.39 -0.09 0.15 0.37 0.00 0.00 175.52 176.37 2grq h PHE 512 N 1.06 -0.24 -0.34 3.16 3.57 -1.14 -0.55 116.94 122.46 2grq h PHE 512 Ca 0.21 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.73 2grq h PHE 512 Cb 0.43 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 2grq h PHE 512 CO 0.03 -0.15 0.18 1.25 -2.23 0.00 0.00 178.31 177.40 2grq h LEU 513 N -0.21 0.28 -0.13 0.59 6.46 -1.08 0.87 115.31 122.10 2grq h LEU 513 Ca 0.01 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.78 2grq h LEU 513 Cb 0.20 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 2grq h LEU 513 CO -0.03 0.21 0.07 0.74 -0.62 0.00 0.00 178.44 178.80 2grq h THR 514 N 0.37 1.00 0.00 1.05 2.02 -0.96 -0.94 112.91 115.46 2grq h THR 514 Ca 0.14 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.21 2grq h THR 514 Cb 0.03 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2grq h THR 514 CO -0.08 0.03 -0.29 0.03 0.37 0.00 0.00 175.52 175.58 2grq h ARG 515 N 0.14 0.00 -0.16 6.66 2.47 -0.86 -0.45 114.38 122.18 2grq h ARG 515 Ca 0.05 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.72 2grq h ARG 515 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2grq h ARG 515 CO -0.03 0.29 -0.08 1.25 0.56 0.00 0.00 179.97 181.95 2grq h LEU 516 N 0.00 0.35 -0.89 3.04 5.85 -0.38 -0.92 115.31 122.36 2grq h LEU 516 Ca -0.00 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 2grq h LEU 516 Cb 0.58 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 2grq h LEU 516 CO 0.04 0.69 0.39 -0.07 -0.34 0.00 0.00 178.44 179.15 2grq h LEU 517 N 0.01 1.08 0.24 2.25 3.38 -0.77 -0.25 115.31 121.25 2grq h LEU 517 Ca 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2grq h LEU 517 Cb 0.56 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2grq h LEU 517 CO 0.02 0.91 -0.12 0.58 0.09 0.00 0.00 178.44 179.93 2grq h VAL 518 N 1.17 0.78 0.00 1.22 2.07 -0.98 -0.07 116.25 120.44 2grq h VAL 518 Ca 0.28 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 2grq h VAL 518 Cb 0.12 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2grq h VAL 518 CO -0.03 0.02 -0.08 0.45 0.02 0.00 0.00 177.57 177.95 2grq h HIS 519 N -0.37 0.00 -0.01 1.57 3.86 -0.86 -0.09 115.15 119.25 2grq h HIS 519 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2grq h HIS 519 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2grq h HIS 519 CO -0.05 0.08 -0.08 -1.33 0.86 0.00 0.00 177.93 177.41 2grq n MET 520 N -3.51 1.06 -1.70 2.45 2.00 -0.13 -2.33 117.12 114.97 2grq n MET 520 Ca -0.02 -0.47 -0.07 0.00 0.00 0.00 0.00 57.70 57.14 2grq n MET 520 Cb 0.21 -1.49 -0.02 0.00 0.00 0.00 0.00 33.22 31.93 2grq n MET 520 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2grq n GLY 521 N 1.21 0.47 0.00 3.03 0.00 -0.05 -4.75 105.19 105.11 2grq n GLY 521 Ca 0.17 -0.67 0.09 0.00 0.00 0.00 0.00 46.02 45.62 2grq n GLY 521 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2grq n LEU 522 N -0.89 0.56 -3.87 0.99 4.77 -0.10 -4.94 117.00 113.52 2grq n LEU 522 Ca -0.08 -0.31 -0.14 0.00 -0.03 0.00 0.00 56.01 55.46 2grq n LEU 522 Cb 0.41 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.35 2grq n LEU 522 CO 0.10 0.14 -0.37 -0.22 -1.33 0.00 0.00 177.39 175.71 2grq s LEU 523 N -3.48 1.83 0.77 2.23 2.96 -1.15 -4.97 118.68 116.87 2grq s LEU 523 Ca 0.02 -0.02 -0.11 0.00 -0.22 0.00 0.00 54.13 53.80 2grq s LEU 523 Cb 0.14 -0.08 0.05 0.00 0.50 0.00 0.00 46.19 46.80 2grq s LEU 523 CO 0.81 -0.01 1.08 -1.59 -1.32 0.00 0.00 176.35 175.32 2grq s LYS 524 N 0.18 2.30 0.06 1.98 -2.85 -1.26 -4.16 119.74 115.99 2grq s LYS 524 Ca -0.01 0.87 -0.06 0.00 -1.00 0.00 0.00 55.97 55.76 2grq s LYS 524 Cb -0.03 -1.92 -0.01 0.00 -2.06 0.00 0.00 37.83 33.80 2grq s LYS 524 CO -0.01 -1.53 0.12 -1.54 0.10 0.00 0.00 175.35 172.50 2grq s SER 525 N -3.71 0.19 0.22 0.03 1.04 -1.26 -4.92 113.70 105.29 2grq s SER 525 Ca 0.60 -0.64 0.10 0.00 0.48 0.00 0.00 55.95 56.49 2grq s SER 525 Cb -0.15 0.27 0.15 0.00 0.10 0.00 0.00 66.02 66.39 2grq s SER 525 CO 0.55 -0.62 1.49 -0.33 0.98 0.00 0.00 173.24 175.31 2grq h GLU 526 N 3.19 0.00 -6.61 4.02 5.08 -2.05 -3.45 114.58 114.76 2grq h GLU 526 Ca -0.33 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.53 2grq h GLU 526 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2grq h GLU 526 CO 0.55 0.75 -0.08 0.16 -1.00 0.00 0.00 179.01 179.40 2grq s ASP 527 N -6.77 6.39 -0.22 1.42 -4.77 -1.26 -5.05 116.67 106.41 2grq s ASP 527 Ca -0.00 0.75 -0.28 0.00 -3.30 0.00 0.00 52.55 49.72 2grq s ASP 527 Cb 0.12 -2.16 0.00 0.00 -1.09 0.00 0.00 42.92 39.79 2grq s ASP 527 CO 0.78 -0.31 0.98 -0.75 0.70 0.00 0.00 175.17 176.57 2grq s LYS 528 N -3.94 4.26 -0.01 2.11 2.47 -1.26 -5.03 119.74 118.34 2grq s LYS 528 Ca 0.45 1.25 0.02 0.00 -1.56 0.00 0.00 55.97 56.13 2grq s LYS 528 Cb -0.10 -3.63 -0.00 0.00 -1.46 0.00 0.00 37.83 32.63 2grq s LYS 528 CO 0.34 -0.56 -0.07 0.14 0.16 0.00 0.00 175.35 175.36 2grq s VAL 529 N 2.95 0.56 -0.61 4.02 -7.23 -1.26 -5.10 120.40 113.72 2grq s VAL 529 Ca 0.42 -0.29 -0.20 0.00 -1.81 0.00 0.00 61.98 60.10 2grq s VAL 529 Cb -0.15 -0.47 0.10 0.00 0.56 0.00 0.00 36.38 36.41 2grq s VAL 529 CO 0.08 0.16 0.77 -1.59 -0.31 0.00 0.00 175.10 174.21 2grq s LYS 530 N -0.12 3.07 0.43 4.82 0.00 -1.26 -5.03 119.74 121.65 2grq s LYS 530 Ca 0.02 -1.23 -0.24 0.00 0.00 0.00 0.00 55.97 54.52 2grq s LYS 530 Cb -0.03 -4.27 -0.10 0.00 0.00 0.00 0.00 37.83 33.43 2grq s LYS 530 CO -0.00 -1.61 1.12 0.00 0.00 0.00 0.00 175.35 174.86 2grq n ALA 531 N 6.64 0.65 -1.42 0.59 0.00 -1.26 -4.93 120.51 120.77 2grq n ALA 531 Ca -0.08 0.23 -0.34 0.00 0.00 0.00 0.00 53.44 53.26 2grq n ALA 531 Cb 0.43 -2.16 0.08 0.00 0.00 0.00 0.00 19.45 17.80 2grq n ALA 531 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2grq s ILE 532 N -1.25 2.60 -0.10 0.00 -4.36 -0.98 -4.99 121.20 112.11 2grq s ILE 532 Ca 0.63 0.30 -0.19 0.00 -0.26 0.00 0.00 60.65 61.12 2grq s ILE 532 Cb -0.53 -2.85 -0.16 0.00 1.25 0.00 0.00 42.46 40.16 2grq s ILE 532 CO 0.57 -0.16 0.61 0.00 0.24 0.00 0.00 174.94 176.19 2grq h ALA 533 N -0.13 -0.05 -3.11 2.27 0.00 -1.94 -3.45 119.26 112.85 2grq h ALA 533 Ca -0.48 -0.29 -0.63 0.00 0.00 0.00 0.00 54.91 53.51 2grq h ALA 533 Cb 1.28 0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.92 2grq h ALA 533 CO 0.51 -0.08 -0.56 1.21 0.00 0.00 0.00 179.25 180.33 2grq s ASN 534 N -5.85 5.67 0.00 0.00 3.84 -1.26 -4.97 114.94 112.37 2grq s ASN 534 Ca -0.12 0.01 0.24 0.00 0.21 0.00 0.00 52.86 53.20 2grq s ASN 534 Cb -0.01 -2.01 0.47 0.00 -0.55 0.00 0.00 41.25 39.15 2grq s ASN 534 CO 0.45 0.07 1.42 0.18 -2.79 0.00 0.00 177.10 176.43 2grq n LEU 535 N 4.22 2.65 0.20 3.21 4.77 -1.26 -4.54 117.00 126.25 2grq n LEU 535 Ca -0.16 -0.96 -0.15 0.00 -0.03 0.00 0.00 56.01 54.71 2grq n LEU 535 Cb 0.52 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 2grq n LEU 535 CO 0.34 0.48 0.65 0.22 -1.33 0.00 0.00 177.39 177.75 2grq h TYR 536 N 3.95 -0.87 0.07 -1.77 3.20 -1.94 -0.84 116.97 118.75 2grq h TYR 536 Ca 0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2grq h TYR 536 Cb 0.85 0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.46 2grq h TYR 536 CO 0.06 -0.46 -0.03 0.78 -1.64 0.00 0.00 178.16 176.87 2grq h GLY 537 N -0.67 -0.09 0.49 1.82 0.00 -1.80 -1.59 103.07 101.23 2grq h GLY 537 Ca -0.01 0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.42 2grq h GLY 537 CO -0.07 -0.03 0.15 -2.55 0.00 0.00 0.00 176.54 174.03 2grq h PRO 538 N -0.10 0.30 -0.63 4.80 0.11 -1.66 0.31 132.00 135.13 2grq h PRO 538 Ca -0.01 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 2grq h PRO 538 Cb 0.08 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 2grq h PRO 538 CO 0.02 0.20 0.26 -0.07 -0.21 0.00 0.00 178.00 178.20 2grq h LEU 539 N 0.31 0.86 -0.89 2.35 3.38 -1.00 -0.36 115.31 119.95 2grq h LEU 539 Ca 0.23 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2grq h LEU 539 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2grq h LEU 539 CO -0.26 0.79 -0.24 0.24 0.09 0.00 0.00 178.44 179.06 2grq h MET 540 N 0.88 0.54 -0.38 1.13 2.86 -0.83 -0.30 114.93 118.83 2grq h MET 540 Ca 0.21 -0.21 -0.14 0.00 -2.06 0.00 0.00 59.70 57.51 2grq h MET 540 Cb 0.19 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2grq h MET 540 CO -0.02 0.74 -0.31 0.00 1.06 0.00 0.00 176.91 178.38 2grq h ALA 541 N 1.26 0.73 -0.47 6.32 0.00 -0.67 -2.67 119.26 123.77 2grq h ALA 541 Ca 0.07 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2grq h ALA 541 Cb 0.68 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2grq h ALA 541 CO 0.05 0.66 -0.06 -0.07 0.00 0.00 0.00 179.25 179.83 2grq h LEU 542 N 0.70 0.80 -1.12 0.00 3.38 -0.76 -0.14 115.31 118.18 2grq h LEU 542 Ca 0.08 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.87 2grq h LEU 542 Cb 0.87 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 2grq h LEU 542 CO 0.08 0.91 0.60 -1.13 0.09 0.00 0.00 178.44 178.98 2grq h ASN 543 N 0.75 0.95 -0.01 -0.43 -1.24 -0.78 -1.55 115.58 113.27 2grq h ASN 543 Ca 0.13 -0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.08 2grq h ASN 543 Cb 0.55 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.39 2grq h ASN 543 CO 0.03 0.63 -0.23 -0.74 -1.29 0.00 0.00 177.43 175.83 2grq h HIS 544 N 1.09 0.26 -0.47 0.67 2.76 -1.13 -3.36 115.15 114.97 2grq h HIS 544 Ca 0.38 -0.13 0.08 0.00 -2.20 0.00 0.00 60.37 58.50 2grq h HIS 544 Cb 0.11 -0.03 -0.07 0.00 1.55 0.00 0.00 27.41 28.97 2grq h HIS 544 CO -0.00 0.90 0.08 1.98 -1.30 0.00 0.00 177.93 179.59 2grq h MET 545 N -0.46 0.21 0.00 5.26 1.85 -0.62 -2.18 114.93 118.98 2grq h MET 545 Ca -0.02 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 2grq h MET 545 Cb 0.95 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.94 2grq h MET 545 CO 0.05 0.14 0.00 1.33 -0.40 0.00 0.00 176.91 178.02 2grq n VAL 546 N -5.12 1.37 1.12 -5.77 0.24 -0.62 -1.52 118.33 108.03 2grq n VAL 546 Ca 0.05 0.34 0.12 0.00 -2.04 0.00 0.00 64.34 62.81 2grq n VAL 546 Cb 0.23 -1.22 0.18 0.00 -1.47 0.00 0.00 33.84 31.56 2grq n VAL 546 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2grq n GLN 547 N -1.45 1.13 -3.19 7.34 6.02 -0.82 -4.95 117.38 121.46 2grq n GLN 547 Ca 0.02 -0.84 -0.31 0.00 -0.01 0.00 0.00 57.00 55.86 2grq n GLN 547 Cb 0.08 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.81 2grq n GLN 547 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2grq s GLN 548 N -2.44 3.81 0.46 -1.09 -1.52 -0.58 -4.99 119.66 113.31 2grq s GLN 548 Ca 0.22 0.37 0.19 0.00 -1.95 0.00 0.00 55.36 54.19 2grq s GLN 548 Cb 0.19 -2.53 1.12 0.00 -0.22 0.00 0.00 33.01 31.57 2grq s GLN 548 CO 0.53 0.17 1.99 -0.44 -0.25 0.00 0.00 175.29 177.29 2grq h ASP 549 N 1.99 0.00 1.10 5.90 3.32 -1.92 -2.65 116.42 124.16 2grq h ASP 549 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2grq h ASP 549 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2grq h ASP 549 CO 0.66 0.20 0.00 0.10 -1.72 0.00 0.00 179.24 178.48 2grq h TYR 550 N 0.00 0.00 -2.91 4.55 -0.00 -1.94 -3.44 116.97 113.23 2grq h TYR 550 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 58.73 58.17 2grq h TYR 550 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.11 2grq h TYR 550 CO 0.00 0.00 0.86 0.12 -0.00 0.00 0.00 178.16 179.14 2grq s PHE 551 N -3.35 2.82 -0.29 0.10 5.36 -1.00 -4.87 117.98 116.74 2grq s PHE 551 Ca 0.05 0.89 -0.29 0.00 -0.96 0.00 0.00 56.93 56.63 2grq s PHE 551 Cb 0.09 -3.58 -0.02 0.00 -0.34 0.00 0.00 43.02 39.17 2grq s PHE 551 CO 0.50 -2.11 1.72 -2.14 -1.46 0.00 0.00 175.22 171.73 2grq s PRO 552 N 2.94 3.52 0.61 10.12 0.02 -1.26 -4.86 135.00 146.09 2grq s PRO 552 Ca 0.60 1.50 0.32 0.00 0.02 0.00 0.00 61.00 63.44 2grq s PRO 552 Cb -0.27 -4.13 1.78 0.00 0.02 0.00 0.00 34.50 31.90 2grq s PRO 552 CO 0.22 -1.63 2.11 0.87 -0.33 0.00 0.00 177.00 178.24 2grq h LYS 553 N 11.96 0.00 0.00 5.54 1.57 -1.94 -1.34 116.57 132.36 2grq h LYS 553 Ca -0.34 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 2grq h LYS 553 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 2grq h LYS 553 CO 1.02 0.00 -0.03 0.00 -0.57 0.00 0.00 179.45 179.87 2grq h ALA 554 N 1.73 1.22 0.00 3.86 0.00 -2.03 -1.66 119.26 122.39 2grq h ALA 554 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2grq h ALA 554 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2grq h ALA 554 CO -0.00 0.04 -0.19 -0.07 0.00 0.00 0.00 179.25 179.03 2grq h LEU 555 N 0.00 0.00 -0.31 0.00 3.38 -1.64 -3.37 115.31 113.37 2grq h LEU 555 Ca -0.00 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2grq h LEU 555 Cb 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2grq h LEU 555 CO 0.00 0.02 0.07 0.00 0.09 0.00 0.00 178.44 178.62 2grq h ALA 556 N 2.37 0.33 -0.76 1.53 0.00 -1.44 -1.65 119.26 119.64 2grq h ALA 556 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2grq h ALA 556 Cb 0.82 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2grq h ALA 556 CO 0.00 -0.34 0.50 -1.35 0.00 0.00 0.00 179.25 178.06 2grq h PRO 557 N 0.18 0.99 -0.29 0.00 0.11 -1.76 0.74 132.00 131.98 2grq h PRO 557 Ca 0.15 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.11 2grq h PRO 557 Cb 0.15 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 2grq h PRO 557 CO -0.19 0.66 -0.17 -0.07 -0.21 0.00 0.00 178.00 178.02 2grq h LEU 558 N 1.02 0.65 -0.44 2.35 4.07 -1.71 -0.91 115.31 120.34 2grq h LEU 558 Ca 0.28 -0.42 -0.03 0.00 0.08 0.00 0.00 57.88 57.78 2grq h LEU 558 Cb -0.11 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.43 2grq h LEU 558 CO -0.06 0.93 0.15 0.25 -1.08 0.00 0.00 178.44 178.63 2grq h LEU 559 N 0.37 0.63 -0.83 1.67 6.46 -0.95 -2.58 115.31 120.09 2grq h LEU 559 Ca 0.06 -0.20 0.01 0.00 -0.12 0.00 0.00 57.88 57.63 2grq h LEU 559 Cb 0.70 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.43 2grq h LEU 559 CO 0.05 0.66 0.54 0.25 -0.62 0.00 0.00 178.44 179.33 2grq h LEU 560 N 0.57 0.94 -0.90 2.25 5.85 -0.76 -0.83 115.31 122.43 2grq h LEU 560 Ca 0.14 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2grq h LEU 560 Cb 0.25 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2grq h LEU 560 CO -0.01 0.67 0.53 0.00 -0.34 0.00 0.00 178.44 179.30 2grq h ALA 561 N 1.31 1.15 0.00 1.25 0.00 -0.89 -1.99 119.26 120.09 2grq h ALA 561 Ca 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2grq h ALA 561 Cb -0.11 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.32 2grq h ALA 561 CO -0.07 0.62 -0.56 0.74 0.00 0.00 0.00 179.25 179.97 2grq h PHE 562 N 1.24 0.00 0.00 0.00 -1.00 -1.08 -2.82 116.94 113.29 2grq h PHE 562 Ca 0.32 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.92 2grq h PHE 562 Cb -0.04 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.49 2grq h PHE 562 CO 0.00 0.00 -1.16 0.28 -1.61 0.00 0.00 178.31 175.82 2grq h VAL 563 N 0.00 0.91 0.00 -0.55 2.07 -1.00 -3.29 116.25 114.39 2grq h VAL 563 Ca 0.00 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.03 2grq h VAL 563 Cb 0.85 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 2grq h VAL 563 CO 0.00 0.52 -0.61 0.71 0.02 0.00 0.00 177.57 178.22 2grq h THR 564 N 0.00 0.00 -3.31 2.57 1.35 -1.44 -3.46 112.91 108.61 2grq h THR 564 Ca -0.12 -0.88 -0.53 0.00 -0.55 0.00 0.00 66.41 64.34 2grq h THR 564 Cb 1.66 1.56 0.05 0.00 -1.73 0.00 0.00 68.15 69.69 2grq h THR 564 CO 0.08 0.00 0.74 -0.75 -0.25 0.00 0.00 175.52 175.34 2grq s LYS 565 N -3.27 4.29 0.14 4.72 2.20 -1.06 -4.91 119.74 121.85 2grq s LYS 565 Ca 0.03 2.24 -0.34 0.00 -0.36 0.00 0.00 55.97 57.54 2grq s LYS 565 Cb 0.09 -3.14 -0.16 0.00 -1.51 0.00 0.00 37.83 33.11 2grq s LYS 565 CO 0.73 -0.40 1.22 -2.30 -0.36 0.00 0.00 175.35 174.25 2grq n PRO 566 N 2.63 1.15 -3.59 4.03 -0.02 -1.26 -4.98 135.00 132.96 2grq n PRO 566 Ca 0.07 0.41 -0.02 0.00 -2.02 0.00 0.00 63.50 61.95 2grq n PRO 566 Cb 0.41 -1.96 -0.06 0.00 -0.02 0.00 0.00 33.50 31.87 2grq n PRO 566 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2grq s ASN 567 N 0.17 -0.58 0.19 2.55 3.84 -1.26 -5.06 114.94 114.78 2grq s ASN 567 Ca 0.77 0.89 -0.13 0.00 0.21 0.00 0.00 52.86 54.61 2grq s ASN 567 Cb -0.89 1.38 0.20 0.00 -0.55 0.00 0.00 41.25 41.39 2grq s ASN 567 CO 0.50 -0.14 1.70 0.28 -2.79 0.00 0.00 177.10 176.65 2grq h SER 568 N 6.57 -0.12 -0.57 -4.21 0.02 -1.98 -0.75 113.55 112.51 2grq h SER 568 Ca -0.25 0.11 0.05 0.00 -0.84 0.00 0.00 61.79 60.86 2grq h SER 568 Cb 1.17 0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.84 2grq h SER 568 CO 0.16 -0.03 0.30 0.00 -1.14 0.00 0.00 176.83 176.12 2grq h ALA 569 N 1.43 0.74 -0.48 3.77 0.00 -1.96 -2.16 119.26 120.59 2grq h ALA 569 Ca 0.26 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2grq h ALA 569 Cb 0.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2grq h ALA 569 CO -0.39 -0.03 -0.15 -0.07 0.00 0.00 0.00 179.25 178.60 2grq h LEU 570 N 0.57 0.93 -2.33 0.00 3.38 -1.79 -2.73 115.31 113.35 2grq h LEU 570 Ca 0.25 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2grq h LEU 570 Cb 0.15 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2grq h LEU 570 CO -0.17 1.08 -0.04 -0.33 0.09 0.00 0.00 178.44 179.07 2grq h GLU 571 N 0.82 0.00 0.00 1.13 5.08 -0.59 -1.78 114.58 119.23 2grq h GLU 571 Ca 0.12 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.27 2grq h GLU 571 Cb 0.70 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2grq h GLU 571 CO 0.05 0.04 -1.01 0.77 -1.00 0.00 0.00 179.01 177.86 2grq h SER 572 N 0.00 0.00 -1.95 1.42 0.02 -1.09 -3.31 113.55 108.65 2grq h SER 572 Ca -0.00 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.23 2grq h SER 572 Cb 0.16 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 62.38 2grq h SER 572 CO 0.01 1.00 0.51 0.00 -1.14 0.00 0.00 176.83 177.21 2grq h SER 574 N 3.09 0.40 0.37 0.00 4.64 -1.63 -0.28 113.55 120.14 2grq h SER 574 Ca 0.47 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.86 2grq h SER 574 Cb 0.32 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2grq h SER 574 CO 1.21 0.20 -0.26 0.15 -0.87 0.00 0.00 176.83 177.25 2grq h PHE 575 N 0.54 -0.70 -0.56 4.77 3.57 -1.90 0.28 116.94 122.95 2grq h PHE 575 Ca 0.39 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.83 2grq h PHE 575 Cb 0.50 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 2grq h PHE 575 CO -0.13 -0.40 0.13 0.00 -2.23 0.00 0.00 178.31 175.68 2grq h ALA 576 N -0.05 1.18 -0.12 2.41 0.00 -1.89 -1.47 119.26 119.32 2grq h ALA 576 Ca -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2grq h ALA 576 Cb 0.53 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2grq h ALA 576 CO 0.01 0.56 0.01 -0.09 0.00 0.00 0.00 179.25 179.74 2grq h ARG 577 N 0.83 0.20 -0.89 0.00 2.43 -0.76 -1.03 114.38 115.16 2grq h ARG 577 Ca 0.18 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2grq h ARG 577 Cb 0.31 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 2grq h ARG 577 CO -0.00 0.41 0.49 0.45 -1.51 0.00 0.00 179.97 179.81 2grq h HIS 578 N -0.04 1.22 -0.17 2.20 3.86 -0.29 -1.66 115.15 120.27 2grq h HIS 578 Ca 0.04 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2grq h HIS 578 Cb 0.31 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 2grq h HIS 578 CO 0.02 0.84 0.09 0.77 0.86 0.00 0.00 177.93 180.52 2grq h SER 579 N 1.24 0.21 -0.68 2.45 0.02 -1.13 -0.15 113.55 115.51 2grq h SER 579 Ca 0.31 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2grq h SER 579 Cb 0.03 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 2grq h SER 579 CO -0.05 0.24 0.39 0.25 -1.14 0.00 0.00 176.83 176.52 2grq h LEU 580 N 0.17 0.84 -0.15 5.07 5.85 -0.96 -1.27 115.31 124.85 2grq h LEU 580 Ca 0.06 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2grq h LEU 580 Cb 0.08 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2grq h LEU 580 CO -0.01 0.67 0.04 -0.07 -0.34 0.00 0.00 178.44 178.73 2grq h LEU 581 N 0.93 0.23 -0.93 2.25 3.38 -1.11 0.11 115.31 120.18 2grq h LEU 581 Ca 0.24 -0.22 0.12 0.00 0.09 0.00 0.00 57.88 58.11 2grq h LEU 581 Cb 0.00 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 2grq h LEU 581 CO -0.04 0.39 0.55 1.56 0.09 0.00 0.00 178.44 180.99 2grq h GLN 582 N 0.05 0.83 -0.39 1.13 1.08 -0.78 -0.64 115.11 116.39 2grq h GLN 582 Ca 0.05 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 2grq h GLN 582 Cb 0.25 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2grq h GLN 582 CO -0.00 0.55 -0.04 1.15 -0.95 0.00 0.00 178.83 179.54 2grq h THR 583 N 0.86 1.27 -0.11 -0.54 2.02 -0.79 -2.87 112.91 112.75 2grq h THR 583 Ca 0.47 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 2grq h THR 583 Cb 0.51 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2grq h THR 583 CO -0.29 0.36 0.05 -0.07 0.37 0.00 0.00 175.52 175.94 2grq h LEU 584 N 0.54 0.13 -1.98 2.58 3.38 0.44 -1.22 115.31 119.17 2grq h LEU 584 Ca 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2grq h LEU 584 Cb 0.53 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2grq h LEU 584 CO 0.03 0.12 -0.09 1.88 0.09 0.00 0.00 178.44 180.47 2grq h TYR 585 N 0.15 0.00 -0.01 1.13 0.99 -0.93 -2.49 116.97 115.80 2grq h TYR 585 Ca 0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.77 2grq h TYR 585 Cb 0.03 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.76 2grq h TYR 585 CO 0.00 0.09 -0.31 1.63 -0.00 0.00 0.00 178.16 179.57 2grq n LYS 586 N -4.08 0.78 0.00 4.88 5.02 -0.47 -5.13 118.16 119.16 2grq n LYS 586 Ca -0.03 -0.48 0.01 0.00 -2.02 0.00 0.00 58.31 55.79 2grq n LYS 586 Cb 0.17 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.74 2grq n LYS 586 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16