#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ccz s PRO 442 N 0.00 3.86 0.68 5.31 0.04 -1.26 -5.02 135.00 138.61 3ccz s PRO 442 Ca 0.00 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.03 3ccz s PRO 442 Cb 0.00 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.65 3ccz s PRO 442 CO 0.00 -1.19 1.06 1.03 0.04 0.00 0.00 177.00 177.94 3ccz s ARG 443 N 4.26 3.04 0.85 4.56 0.52 -1.26 -5.04 118.95 125.88 3ccz s ARG 443 Ca 0.55 0.79 -0.11 0.00 -0.52 0.00 0.00 55.73 56.44 3ccz s ARG 443 Cb -0.14 -2.01 0.11 0.00 0.52 0.00 0.00 34.95 33.42 3ccz s ARG 443 CO 0.25 -0.98 1.14 -2.14 0.02 0.00 0.00 175.30 173.59 3ccz s PRO 444 N -5.14 1.50 0.40 3.54 0.02 -1.26 -4.91 135.00 129.15 3ccz s PRO 444 Ca 0.57 1.48 0.17 0.00 0.02 0.00 0.00 61.00 63.24 3ccz s PRO 444 Cb -0.13 -1.79 0.84 0.00 0.02 0.00 0.00 34.50 33.45 3ccz s PRO 444 CO 0.54 -2.26 1.84 -0.91 -0.33 0.00 0.00 177.00 175.89 3ccz h ASN 445 N -1.45 0.00 -0.27 2.53 4.21 -1.96 -2.96 115.58 115.68 3ccz h ASN 445 Ca -0.44 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 56.92 3ccz h ASN 445 Cb 1.26 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.46 3ccz h ASN 445 CO 0.45 0.33 -0.41 -0.33 -1.29 0.00 0.00 177.43 176.18 3ccz h GLU 446 N 0.00 0.83 -0.05 0.81 5.08 -2.01 -2.99 114.58 116.25 3ccz h GLU 446 Ca -0.00 -0.44 -0.15 0.00 -1.00 0.00 0.00 59.36 57.76 3ccz h GLU 446 Cb 0.67 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3ccz h GLU 446 CO 0.04 1.08 -0.66 1.49 -1.00 0.00 0.00 179.01 179.97 3ccz h GLU 447 N 0.67 0.20 0.00 2.33 4.81 -1.92 -3.17 114.58 117.50 3ccz h GLU 447 Ca 0.05 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 3ccz h GLU 447 Cb 0.98 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 3ccz h GLU 447 CO 0.09 0.79 -0.38 0.00 -0.73 0.00 0.00 179.01 178.78 3ccz h LEU 449 N 0.00 0.06 -0.29 0.00 3.38 -1.49 -3.04 115.31 113.93 3ccz h LEU 449 Ca -0.00 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 3ccz h LEU 449 Cb 0.82 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3ccz h LEU 449 CO 0.05 0.66 -0.87 1.56 0.09 0.00 0.00 178.44 179.93 3ccz h GLN 450 N 0.04 0.23 -0.18 1.13 4.20 -1.58 -2.87 115.11 116.07 3ccz h GLN 450 Ca -0.01 -0.24 -0.13 0.00 0.06 0.00 0.00 58.65 58.33 3ccz h GLN 450 Cb 1.09 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3ccz h GLN 450 CO 0.08 0.96 -0.40 0.82 -0.67 0.00 0.00 178.83 179.62 3ccz h ILE 451 N 0.13 1.33 -0.17 2.54 2.04 -1.54 -2.90 117.51 118.94 3ccz h ILE 451 Ca -0.05 -1.64 -0.11 0.00 1.00 0.00 0.00 64.86 64.06 3ccz h ILE 451 Cb 1.49 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 3ccz h ILE 451 CO 0.13 0.51 -0.39 0.25 0.00 0.00 0.00 178.15 178.65 3ccz h LEU 452 N 0.26 0.40 -1.17 1.44 5.85 -1.63 -3.02 115.31 117.44 3ccz h LEU 452 Ca 0.00 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 3ccz h LEU 452 Cb 1.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 3ccz h LEU 452 CO 0.09 0.76 -0.27 1.23 -0.34 0.00 0.00 178.44 179.90 3ccz h GLY 453 N 1.14 0.00 -3.36 3.75 0.00 -1.51 -3.40 103.07 99.69 3ccz h GLY 453 Ca 0.03 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.85 3ccz h GLY 453 CO 0.07 0.00 0.51 0.21 0.00 0.00 0.00 176.54 177.33 3ccz s ASN 454 N -6.31 6.75 0.16 0.19 2.47 -1.10 -4.97 114.94 112.14 3ccz s ASN 454 Ca -0.00 2.35 -0.04 0.00 0.42 0.00 0.00 52.86 55.59 3ccz s ASN 454 Cb 0.11 -2.62 0.03 0.00 -1.45 0.00 0.00 41.25 37.32 3ccz s ASN 454 CO 0.65 -0.52 1.43 0.00 -3.72 0.00 0.00 177.10 174.94 3ccz h ALA 455 N 3.00 0.56 -0.98 1.71 0.00 -1.87 -3.25 119.26 118.42 3ccz h ALA 455 Ca -0.48 -0.58 -0.68 0.00 0.00 0.00 0.00 54.91 53.17 3ccz h ALA 455 Cb 1.23 -0.06 -0.31 0.00 0.00 0.00 0.00 17.79 18.65 3ccz h ALA 455 CO 0.64 0.73 0.67 -0.85 0.00 0.00 0.00 179.25 180.44 3ccz n GLU 456 N -3.89 2.82 0.00 0.00 0.28 -1.26 -4.59 120.64 114.00 3ccz n GLU 456 Ca -0.05 -3.46 0.00 0.00 -0.16 0.00 0.00 57.16 53.50 3ccz n GLU 456 Cb 0.69 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 31.27 3ccz n GLU 456 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3ccz n LYS 457 N -0.83 0.00 0.00 3.44 5.02 -1.24 -5.14 118.16 119.41 3ccz n LYS 457 Ca 0.59 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 3ccz n LYS 457 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.64 3ccz n LYS 457 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ccz n GLY 458 N 0.65 -0.88 0.07 0.72 0.00 -1.20 -4.01 105.19 100.53 3ccz n GLY 458 Ca 0.00 -1.18 0.13 0.00 0.00 0.00 0.00 46.02 44.97 3ccz n GLY 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ccz n ALA 459 N 1.79 2.28 -0.35 4.61 0.00 -1.26 -3.96 120.51 123.62 3ccz n ALA 459 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.44 3ccz n ALA 459 Cb 0.00 -1.46 0.22 0.00 0.00 0.00 0.00 19.45 18.20 3ccz n ALA 459 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3ccz h LYS 460 N 0.00 1.04 -0.01 0.00 3.64 -1.96 -2.38 116.57 116.89 3ccz h LYS 460 Ca 0.00 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.14 3ccz h LYS 460 Cb 0.64 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3ccz h LYS 460 CO 0.00 0.69 -0.80 0.74 -2.27 0.00 0.00 179.45 177.81 3ccz h PHE 461 N 1.07 0.21 -4.16 1.91 -1.00 -1.76 -3.45 116.94 109.76 3ccz h PHE 461 Ca 0.45 -0.11 -0.50 0.00 2.81 0.00 0.00 57.97 60.63 3ccz h PHE 461 Cb 0.32 -0.03 0.08 0.00 3.61 0.00 0.00 35.95 39.93 3ccz h PHE 461 CO -0.00 0.88 0.39 -0.51 -1.61 0.00 0.00 178.31 177.46 3ccz s LEU 462 N -7.46 3.55 0.00 1.54 1.43 -0.90 -5.07 118.68 111.77 3ccz s LEU 462 Ca -0.02 1.99 0.05 0.00 -1.03 0.00 0.00 54.13 55.12 3ccz s LEU 462 Cb 0.11 -4.55 0.12 0.00 0.03 0.00 0.00 46.19 41.90 3ccz s LEU 462 CO 0.81 -1.34 0.92 -1.54 0.23 0.00 0.00 176.35 175.43 3ccz n SER 463 N -1.91 1.74 -0.10 2.29 3.41 -1.26 -4.98 113.62 112.80 3ccz n SER 463 Ca 0.10 -2.35 -0.11 0.00 -0.26 0.00 0.00 58.87 56.26 3ccz n SER 463 Cb 0.52 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 3ccz n SER 463 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3ccz h ASP 464 N -0.26 0.50 0.25 4.04 5.19 -1.97 -2.94 116.42 121.22 3ccz h ASP 464 Ca -0.31 -0.28 -0.08 0.00 -0.62 0.00 0.00 57.03 55.75 3ccz h ASP 464 Cb 1.25 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.62 3ccz h ASP 464 CO 0.38 0.66 -0.32 0.00 -3.12 0.00 0.00 179.24 176.83 3ccz h ALA 465 N 0.86 1.36 -0.03 3.45 0.00 -1.99 -2.71 119.26 120.20 3ccz h ALA 465 Ca 0.09 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 3ccz h ALA 465 Cb 0.38 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ccz h ALA 465 CO 0.01 0.46 -0.84 0.93 0.00 0.00 0.00 179.25 179.80 3ccz h GLU 466 N 0.10 0.37 -0.09 0.00 5.08 -1.94 -2.66 114.58 115.44 3ccz h GLU 466 Ca 0.01 -0.36 -0.16 0.00 -1.00 0.00 0.00 59.36 57.85 3ccz h GLU 466 Cb 0.62 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3ccz h GLU 466 CO 0.04 1.03 -0.63 0.82 -1.00 0.00 0.00 179.01 179.27 3ccz h ILE 467 N 0.23 1.37 -0.14 3.13 2.04 -1.44 -2.83 117.51 119.88 3ccz h ILE 467 Ca -0.05 -2.00 -0.06 0.00 1.00 0.00 0.00 64.86 63.75 3ccz h ILE 467 Cb 1.45 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.52 3ccz h ILE 467 CO 0.14 0.60 -0.17 0.40 0.00 0.00 0.00 178.15 179.12 3ccz h ILE 468 N 0.25 1.20 -0.21 -0.67 2.04 -1.45 -2.61 117.51 116.05 3ccz h ILE 468 Ca -0.01 -0.89 -0.15 0.00 1.00 0.00 0.00 64.86 64.80 3ccz h ILE 468 Cb 1.17 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 3ccz h ILE 468 CO 0.11 0.28 -0.49 -0.61 0.00 0.00 0.00 178.15 177.43 3ccz h GLN 469 N 0.22 0.57 -0.11 2.37 4.15 -1.26 -2.91 115.11 118.13 3ccz h GLN 469 Ca 0.04 -0.33 -0.17 0.00 0.77 0.00 0.00 58.65 58.96 3ccz h GLN 469 Cb 0.44 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 3ccz h GLN 469 CO 0.03 0.93 -0.66 -0.07 -1.93 0.00 0.00 178.83 177.13 3ccz h LEU 470 N 0.45 0.50 -0.39 -2.39 3.38 -1.26 -2.90 115.31 112.69 3ccz h LEU 470 Ca 0.02 -0.30 -0.17 0.00 0.09 0.00 0.00 57.88 57.51 3ccz h LEU 470 Cb 1.02 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 3ccz h LEU 470 CO 0.09 1.02 -0.53 0.58 0.09 0.00 0.00 178.44 179.69 3ccz h VAL 471 N 0.31 1.29 0.00 1.22 2.07 -1.49 -2.40 116.25 117.25 3ccz h VAL 471 Ca -0.02 -1.73 -0.04 0.00 0.82 0.00 0.00 66.70 65.73 3ccz h VAL 471 Cb 1.22 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 3ccz h VAL 471 CO 0.12 0.56 -0.17 0.78 0.02 0.00 0.00 177.57 178.88 3ccz h ASN 472 N 0.60 0.00 -0.26 0.57 2.35 -1.54 -2.81 115.58 114.49 3ccz h ASN 472 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3ccz h ASN 472 Cb 1.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.49 3ccz h ASN 472 CO 0.11 0.17 0.00 0.00 -1.65 0.00 0.00 177.43 176.06 3ccz n ALA 473 N -2.19 2.48 -1.60 -0.83 0.00 -1.10 -4.95 120.51 112.33 3ccz n ALA 473 Ca 0.00 -0.67 -0.14 0.00 0.00 0.00 0.00 53.44 52.64 3ccz n ALA 473 Cb 0.41 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 3ccz n ALA 473 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ccz n LYS 474 N 0.67 -1.00 0.13 0.00 4.76 -1.06 -4.90 118.16 116.76 3ccz n LYS 474 Ca 0.17 0.92 -0.24 0.00 -2.87 0.00 0.00 58.31 56.28 3ccz n LYS 474 Cb 0.40 -5.05 -0.15 0.00 -1.84 0.00 0.00 35.03 28.39 3ccz n LYS 474 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3ccz h HIS 475 N 0.00 0.93 -3.48 2.13 3.86 -1.68 -3.45 115.15 113.47 3ccz h HIS 475 Ca -0.29 -0.67 -0.68 0.00 -1.16 0.00 0.00 60.37 57.57 3ccz h HIS 475 Cb 0.98 -0.04 -0.31 0.00 1.06 0.00 0.00 27.41 29.10 3ccz h HIS 475 CO 0.39 1.52 -0.84 0.42 0.86 0.00 0.00 177.93 180.27 3ccz s ILE 476 N -2.63 2.38 0.28 2.45 1.01 -1.18 -5.03 121.20 118.48 3ccz s ILE 476 Ca -0.10 -0.92 -0.29 0.00 0.00 0.00 0.00 60.65 59.34 3ccz s ILE 476 Cb 0.04 -1.93 -0.09 0.00 0.01 0.00 0.00 42.46 40.48 3ccz s ILE 476 CO 0.93 0.55 1.08 -2.16 0.00 0.00 0.00 174.94 175.34 3ccz s PRO 477 N 0.21 4.65 0.31 2.79 0.04 -1.26 -4.33 135.00 137.42 3ccz s PRO 477 Ca -0.13 1.76 0.06 0.00 0.04 0.00 0.00 61.00 62.73 3ccz s PRO 477 Cb -0.16 -3.18 0.50 0.00 0.04 0.00 0.00 34.50 31.69 3ccz s PRO 477 CO 0.07 0.24 1.74 0.00 0.04 0.00 0.00 177.00 179.09 3ccz h ALA 478 N 3.82 1.17 0.00 8.56 0.00 -1.99 -3.01 119.26 127.80 3ccz h ALA 478 Ca -0.47 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3ccz h ALA 478 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3ccz h ALA 478 CO 0.67 0.54 0.00 2.48 0.00 0.00 0.00 179.25 182.94 3ccz n TYR 479 N -4.09 0.55 -1.36 0.00 0.18 -1.26 -2.72 117.16 108.46 3ccz n TYR 479 Ca -0.01 0.19 -0.15 0.00 1.88 0.00 0.00 57.90 59.81 3ccz n TYR 479 Cb 0.43 -0.81 0.18 0.00 -0.38 0.00 0.00 39.34 38.76 3ccz n TYR 479 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3ccz n LYS 480 N -1.98 2.09 0.23 -3.48 5.02 -1.14 -4.67 118.16 114.24 3ccz n LYS 480 Ca 0.04 -3.13 0.11 0.00 -2.02 0.00 0.00 58.31 53.31 3ccz n LYS 480 Cb 0.29 -2.02 0.50 0.00 -0.02 0.00 0.00 35.03 33.78 3ccz n LYS 480 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3ccz h LEU 481 N 1.06 0.00 -0.07 -0.35 3.38 -1.64 -3.06 115.31 114.62 3ccz h LEU 481 Ca 0.44 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.23 3ccz h LEU 481 Cb 2.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.98 3ccz h LEU 481 CO 0.79 0.18 -0.68 -0.33 0.09 0.00 0.00 178.44 178.49 3ccz h GLU 482 N 0.00 0.58 -0.23 1.13 3.07 -1.86 -2.97 114.58 114.30 3ccz h GLU 482 Ca -0.00 -0.53 -0.15 0.00 -0.50 0.00 0.00 59.36 58.18 3ccz h GLU 482 Cb 0.70 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 3ccz h GLU 482 CO 0.02 1.15 -0.44 1.15 -1.40 0.00 0.00 179.01 179.50 3ccz h THR 483 N 0.20 1.31 -0.13 1.13 2.02 -1.90 -3.33 112.91 112.21 3ccz h THR 483 Ca -0.06 -1.65 -0.15 0.00 0.77 0.00 0.00 66.41 65.32 3ccz h THR 483 Cb 1.33 1.78 0.01 0.00 -1.74 0.00 0.00 68.15 69.53 3ccz h THR 483 CO 0.14 0.52 -0.49 -0.07 0.37 0.00 0.00 175.52 175.99 3ccz h LEU 484 N 0.42 0.65-10.12 2.58 3.38 -1.66 -3.45 115.31 107.12 3ccz h LEU 484 Ca 0.01 -0.62 -0.47 0.00 0.09 0.00 0.00 57.88 56.90 3ccz h LEU 484 Cb 1.04 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3ccz h LEU 484 CO 0.10 1.16 0.29 -0.63 0.09 0.00 0.00 178.44 179.45 3ccz s ILE 485 N -3.78 4.53 0.32 1.22 1.01 -1.12 -4.60 121.20 118.78 3ccz s ILE 485 Ca -0.12 1.20 0.09 0.00 0.00 0.00 0.00 60.65 61.82 3ccz s ILE 485 Cb 0.06 -3.66 0.31 0.00 0.01 0.00 0.00 42.46 39.18 3ccz s ILE 485 CO 0.83 -0.46 1.75 1.05 0.00 0.00 0.00 174.94 178.11 3ccz h GLU 486 N 1.51 0.62 -5.21 2.79 9.09 -1.87 -3.43 114.58 118.06 3ccz h GLU 486 Ca -0.48 -0.04 -0.37 0.00 0.05 0.00 0.00 59.36 58.53 3ccz h GLU 486 Cb 1.18 -0.14 -0.14 0.00 -1.65 0.00 0.00 28.75 28.00 3ccz h GLU 486 CO 0.62 0.41 -0.71 0.95 0.05 0.00 0.00 179.01 180.33 3ccz s THR 487 N -5.78 1.32 0.12 -1.06 -4.23 -1.26 -5.06 115.64 99.70 3ccz s THR 487 Ca -0.11 -2.10 -0.14 0.00 -1.18 0.00 0.00 61.69 58.17 3ccz s THR 487 Cb 0.26 -1.96 -0.04 0.00 1.34 0.00 0.00 72.50 72.10 3ccz s THR 487 CO 0.80 -0.66 1.50 0.45 -0.54 0.00 0.00 174.62 176.17 3ccz h HIS 488 N 2.68 0.90 -0.63 3.99 3.86 -1.84 -3.14 115.15 120.97 3ccz h HIS 488 Ca -0.37 -0.22 -0.05 0.00 -1.16 0.00 0.00 60.37 58.57 3ccz h HIS 488 Cb 1.20 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 29.43 3ccz h HIS 488 CO 0.66 0.96 0.21 1.49 0.86 0.00 0.00 177.93 182.10 3ccz h GLU 489 N 0.58 0.95 -0.06 2.45 4.81 -1.95 -2.39 114.58 118.97 3ccz h GLU 489 Ca 0.09 -0.18 -0.13 0.00 -0.13 0.00 0.00 59.36 59.01 3ccz h GLU 489 Cb 0.71 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3ccz h GLU 489 CO 0.05 0.81 -0.53 -0.09 -0.73 0.00 0.00 179.01 178.52 3ccz h ARG 490 N 0.93 0.17 -0.67 1.92 2.43 -1.96 -2.13 114.38 115.07 3ccz h ARG 490 Ca 0.21 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3ccz h ARG 490 Cb 0.25 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 3ccz h ARG 490 CO -0.01 0.66 0.26 0.78 -1.51 0.00 0.00 179.97 180.15 3ccz h GLY 491 N 1.45 1.06 1.69 2.80 0.00 -1.39 -2.04 103.07 106.64 3ccz h GLY 491 Ca 0.00 -0.56 -0.14 0.00 0.00 0.00 0.00 47.33 46.63 3ccz h GLY 491 CO 0.08 0.53 -0.56 -2.08 0.00 0.00 0.00 176.54 174.51 3ccz h VAL 492 N 0.97 1.36 -0.50 4.60 2.07 -1.25 -2.86 116.25 120.63 3ccz h VAL 492 Ca 0.22 -1.86 -0.10 0.00 0.82 0.00 0.00 66.70 65.79 3ccz h VAL 492 Cb 0.20 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 3ccz h VAL 492 CO -0.02 0.56 -0.08 -1.28 0.02 0.00 0.00 177.57 176.77 3ccz h SER 493 N 0.25 0.90 -0.40 0.57 0.87 -1.07 -2.13 113.55 112.53 3ccz h SER 493 Ca 0.00 -0.27 -0.15 0.00 -1.23 0.00 0.00 61.79 60.14 3ccz h SER 493 Cb 1.06 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 3ccz h SER 493 CO 0.09 1.00 -0.34 0.40 -0.53 0.00 0.00 176.83 177.45 3ccz h ILE 494 N 0.82 1.27 0.00 2.23 1.08 -1.34 -2.60 117.51 118.97 3ccz h ILE 494 Ca 0.14 -1.51 -0.09 0.00 -0.39 0.00 0.00 64.86 63.01 3ccz h ILE 494 Cb 0.60 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.64 3ccz h ILE 494 CO 0.04 0.51 -0.40 -0.09 -0.69 0.00 0.00 178.15 177.51 3ccz h ARG 495 N 0.79 0.00 -0.25 2.37 2.43 -1.40 -2.05 114.38 116.27 3ccz h ARG 495 Ca 0.07 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.10 3ccz h ARG 495 Cb 0.93 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 3ccz h ARG 495 CO 0.09 0.40 -0.42 0.00 -1.51 0.00 0.00 179.97 178.53 3ccz h ARG 496 N 0.00 0.61 -0.16 0.20 3.08 -1.22 -1.97 114.38 114.91 3ccz h ARG 496 Ca -0.00 -0.32 -0.17 0.00 0.07 0.00 0.00 59.98 59.55 3ccz h ARG 496 Cb 0.72 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 3ccz h ARG 496 CO 0.05 0.92 -0.61 1.96 -1.07 0.00 0.00 179.97 181.22 3ccz h GLN 497 N 0.50 0.56 -0.63 0.04 4.20 -1.19 -1.36 115.11 117.23 3ccz h GLN 497 Ca 0.04 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.32 3ccz h GLN 497 Cb 0.94 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 3ccz h GLN 497 CO 0.08 1.00 0.21 -0.07 -0.67 0.00 0.00 178.83 179.38 3ccz h LEU 498 N 0.41 0.91 -0.54 1.46 4.07 -1.34 -3.14 115.31 117.14 3ccz h LEU 498 Ca -0.01 -0.20 -0.16 0.00 0.08 0.00 0.00 57.88 57.60 3ccz h LEU 498 Cb 1.17 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.66 3ccz h LEU 498 CO 0.11 0.87 -0.51 0.25 -1.08 0.00 0.00 178.44 178.08 3ccz h LEU 499 N 0.90 0.64 -1.03 1.67 5.85 -1.25 -3.26 115.31 118.84 3ccz h LEU 499 Ca 0.20 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 3ccz h LEU 499 Cb 0.28 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3ccz h LEU 499 CO -0.01 1.04 0.16 0.28 -0.34 0.00 0.00 178.44 179.57 3ccz h SER 500 N 0.46 0.80 -0.14 1.25 0.02 -1.20 -2.39 113.55 112.34 3ccz h SER 500 Ca 0.02 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.76 3ccz h SER 500 Cb 1.05 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 3ccz h SER 500 CO 0.10 0.76 -0.14 0.11 -1.14 0.00 0.00 176.83 176.52 3ccz h LYS 501 N 0.83 0.51 0.00 3.45 1.57 -1.59 -2.98 116.57 118.36 3ccz h LYS 501 Ca 0.19 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 3ccz h LYS 501 Cb 0.27 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3ccz h LYS 501 CO -0.01 0.65 -0.51 0.87 -0.57 0.00 0.00 179.45 179.89 3ccz h LYS 502 N 0.47 0.00 -7.16 3.15 1.57 -1.51 -3.45 116.57 109.64 3ccz h LYS 502 Ca 0.08 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.38 3ccz h LYS 502 Cb 0.53 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.88 3ccz h LYS 502 CO 0.03 0.51 0.38 -0.51 -0.57 0.00 0.00 179.45 179.29 3ccz s LEU 503 N -7.70 3.62 0.32 2.94 1.43 -1.10 -4.96 118.68 113.22 3ccz s LEU 503 Ca -0.02 1.80 0.08 0.00 -1.03 0.00 0.00 54.13 54.97 3ccz s LEU 503 Cb 0.13 -4.54 0.54 0.00 0.03 0.00 0.00 46.19 42.35 3ccz s LEU 503 CO 0.74 -0.95 1.75 0.77 0.23 0.00 0.00 176.35 178.88 3ccz h SER 504 N 0.84 0.22 -3.58 2.29 4.64 -1.88 -3.37 113.55 112.71 3ccz h SER 504 Ca -0.48 -0.08 -0.70 0.00 -0.47 0.00 0.00 61.79 60.07 3ccz h SER 504 Cb 1.21 -0.06 -0.32 0.00 -0.31 0.00 0.00 62.40 62.93 3ccz h SER 504 CO 0.59 0.57 -0.58 -0.70 -0.87 0.00 0.00 176.83 175.83 3ccz s GLU 505 N -4.24 2.35 0.50 4.77 2.56 -1.26 -5.00 118.70 118.37 3ccz s GLU 505 Ca -0.04 -1.49 0.21 0.00 0.00 0.00 0.00 54.97 53.64 3ccz s GLU 505 Cb 0.14 -3.50 1.27 0.00 2.00 0.00 0.00 34.13 34.04 3ccz s GLU 505 CO 0.76 -0.86 2.01 -1.35 -0.56 0.00 0.00 175.26 175.26 3ccz h PRO 506 N 8.14 0.11 -1.06 4.30 0.11 -1.74 -2.76 132.00 139.11 3ccz h PRO 506 Ca -0.19 -0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.45 3ccz h PRO 506 Cb 1.06 -0.03 -0.25 0.00 0.11 0.00 0.00 31.00 31.90 3ccz h PRO 506 CO 0.65 0.08 0.59 -1.13 -0.21 0.00 0.00 178.00 177.98 3ccz n SER 507 N -4.43 4.76 -0.02 -2.05 3.41 -1.26 -4.52 113.62 109.50 3ccz n SER 507 Ca 0.08 -3.38 -0.10 0.00 -0.26 0.00 0.00 58.87 55.20 3ccz n SER 507 Cb 0.46 -0.85 0.04 0.00 -0.26 0.00 0.00 64.21 63.60 3ccz n SER 507 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3ccz h SER 508 N 1.13 0.72 -0.31 4.04 0.02 -1.87 -3.20 113.55 114.08 3ccz h SER 508 Ca 0.51 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3ccz h SER 508 Cb 2.01 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.34 3ccz h SER 508 CO 1.03 1.09 0.00 0.18 -1.14 0.00 0.00 176.83 178.00 3ccz n LEU 509 N -3.99 1.67 -0.22 5.07 4.32 -1.26 -4.44 117.00 118.14 3ccz n LEU 509 Ca -0.03 -0.83 0.00 0.00 -0.02 0.00 0.00 56.01 55.13 3ccz n LEU 509 Cb 0.59 -0.21 0.12 0.00 -1.62 0.00 0.00 43.42 42.30 3ccz n LEU 509 CO 0.47 0.41 1.03 -0.61 -1.22 0.00 0.00 177.39 177.48 3ccz h GLN 510 N 1.79 0.51 -0.28 3.23 4.15 -1.90 -2.69 115.11 119.92 3ccz h GLN 510 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3ccz h GLN 510 Cb 0.42 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.00 3ccz h GLN 510 CO 0.00 0.34 0.00 0.66 -1.93 0.00 0.00 178.83 177.90 3ccz n TYR 511 N -4.91 0.36 -2.70 3.99 4.02 -1.26 -4.81 117.16 111.84 3ccz n TYR 511 Ca 0.10 -0.20 -0.43 0.00 -0.01 0.00 0.00 57.90 57.36 3ccz n TYR 511 Cb 0.26 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.55 3ccz n TYR 511 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3ccz s LEU 512 N -1.46 3.86 0.72 7.72 2.96 -1.02 -5.04 118.68 126.43 3ccz s LEU 512 Ca 0.33 0.56 -0.11 0.00 -0.22 0.00 0.00 54.13 54.69 3ccz s LEU 512 Cb 0.20 -3.41 0.02 0.00 0.50 0.00 0.00 46.19 43.50 3ccz s LEU 512 CO 0.28 -1.03 1.07 -2.16 -1.32 0.00 0.00 176.35 173.19 3ccz s PRO 513 N 3.90 2.72 0.00 0.98 0.04 -1.26 -4.92 135.00 136.47 3ccz s PRO 513 Ca 0.43 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.29 3ccz s PRO 513 Cb -0.10 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3ccz s PRO 513 CO 0.24 -1.22 0.00 2.48 0.04 0.00 0.00 177.00 178.54 3ccz n TYR 514 N -3.19 0.00 -1.92 0.56 0.18 -1.26 -2.10 117.16 109.44 3ccz n TYR 514 Ca 0.07 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.51 3ccz n TYR 514 Cb 0.55 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.54 3ccz n TYR 514 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3ccz s ARG 515 N -1.00 2.95 -1.63 -3.48 0.52 -1.26 -3.80 118.95 111.26 3ccz s ARG 515 Ca 0.00 1.51 0.00 0.00 -0.52 0.00 0.00 55.73 56.72 3ccz s ARG 515 Cb 0.00 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.51 3ccz s ARG 515 CO 0.00 -1.15 0.00 -0.25 0.02 0.00 0.00 175.30 173.92 3ccz n ASP 516 N -2.02 -5.10 -4.65 0.23 8.00 -1.26 -5.00 116.55 106.74 3ccz n ASP 516 Ca 0.11 0.16 -0.33 0.00 0.71 0.00 0.00 54.79 55.44 3ccz n ASP 516 Cb 0.51 -4.17 -0.10 0.00 -0.02 0.00 0.00 41.12 37.35 3ccz n ASP 516 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3ccz s TYR 517 N -2.78 3.05 -1.01 1.24 5.04 -1.25 -5.05 117.35 116.59 3ccz s TYR 517 Ca 0.00 0.08 -0.23 0.00 -2.44 0.00 0.00 57.07 54.48 3ccz s TYR 517 Cb 0.00 -1.70 0.05 0.00 0.35 0.00 0.00 41.96 40.66 3ccz s TYR 517 CO 0.00 0.43 1.44 1.21 -1.34 0.00 0.00 175.55 177.29 3ccz s ASN 518 N -1.25 6.48 0.04 4.32 2.47 -1.26 -4.81 114.94 120.93 3ccz s ASN 518 Ca 0.16 -1.40 0.28 0.00 0.42 0.00 0.00 52.86 52.32 3ccz s ASN 518 Cb -0.11 -2.57 1.05 0.00 -1.45 0.00 0.00 41.25 38.17 3ccz s ASN 518 CO 0.06 -1.53 1.82 -1.22 -3.72 0.00 0.00 177.10 172.52 3ccz n TYR 519 N 8.93 0.18 -0.23 0.43 4.02 -1.26 -4.03 117.16 125.21 3ccz n TYR 519 Ca 0.32 0.05 -0.00 0.00 -0.01 0.00 0.00 57.90 58.25 3ccz n TYR 519 Cb 0.51 -0.55 0.22 0.00 -0.02 0.00 0.00 39.34 39.49 3ccz n TYR 519 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3ccz h SER 520 N 0.00 0.89 1.51 7.72 4.64 -1.94 -1.79 113.55 124.58 3ccz h SER 520 Ca 0.00 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 3ccz h SER 520 Cb 0.55 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3ccz h SER 520 CO 0.00 0.68 -0.50 -0.07 -0.87 0.00 0.00 176.83 176.07 3ccz h LEU 521 N 1.04 0.00 0.04 5.97 3.38 -1.97 -3.31 115.31 120.46 3ccz h LEU 521 Ca 0.27 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.00 3ccz h LEU 521 Cb -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3ccz h LEU 521 CO -0.05 0.21 -1.16 0.58 0.09 0.00 0.00 178.44 178.11 3ccz h VAL 522 N 0.00 1.55 -3.05 1.22 2.07 -1.65 -3.41 116.25 112.98 3ccz h VAL 522 Ca -0.02 -3.23 -0.55 0.00 0.82 0.00 0.00 66.70 63.72 3ccz h VAL 522 Cb 1.18 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 33.76 3ccz h VAL 522 CO 0.02 0.91 0.73 -0.04 0.02 0.00 0.00 177.57 179.21 3ccz s MET 523 N -2.68 4.33 -0.76 1.57 -1.94 -0.71 -1.78 119.30 117.32 3ccz s MET 523 Ca -0.02 1.70 -0.01 0.00 -1.71 0.00 0.00 55.69 55.66 3ccz s MET 523 Cb 0.09 -3.58 0.00 0.00 2.01 0.00 0.00 34.83 33.35 3ccz s MET 523 CO 0.84 -0.48 0.12 0.41 -0.01 0.00 0.00 175.02 175.90 3ccz n GLY 524 N 3.41 0.05 1.91 -0.03 0.00 -1.26 -4.82 105.19 104.45 3ccz n GLY 524 Ca 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3ccz n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ccz n ALA 525 N -1.95 0.36 0.00 4.61 0.00 -1.15 -5.04 120.51 117.35 3ccz n ALA 525 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3ccz n ALA 525 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3ccz n ALA 525 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ccz s GLU 528 N -1.92 1.48 -1.52 0.00 8.01 -1.26 -4.39 118.70 119.10 3ccz s GLU 528 Ca -0.08 -1.73 -0.09 0.00 0.01 0.00 0.00 54.97 53.07 3ccz s GLU 528 Cb -0.01 -1.10 0.07 0.00 -4.31 0.00 0.00 34.13 28.78 3ccz s GLU 528 CO 0.03 0.05 0.72 0.09 0.01 0.00 0.00 175.26 176.16 3ccz n ASN 529 N -0.53 -2.58 -4.70 -0.19 3.02 -1.26 -4.85 115.26 104.17 3ccz n ASN 529 Ca -0.06 -0.92 -0.42 0.00 -0.03 0.00 0.00 54.58 53.15 3ccz n ASN 529 Cb 0.63 -3.33 -0.03 0.00 -0.61 0.00 0.00 39.78 36.44 3ccz n ASN 529 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ccz s VAL 530 N -3.54 3.71 -0.32 2.41 1.01 -1.26 -4.92 120.40 117.50 3ccz s VAL 530 Ca 0.41 1.16 0.05 0.00 0.00 0.00 0.00 61.98 63.60 3ccz s VAL 530 Cb -0.21 -3.74 0.14 0.00 0.00 0.00 0.00 36.38 32.56 3ccz s VAL 530 CO 0.87 0.03 1.11 2.30 0.00 0.00 0.00 175.10 179.42 3ccz n ILE 531 N 4.37 1.09 -0.06 2.22 -5.35 -1.26 -4.69 119.36 115.68 3ccz n ILE 531 Ca 0.12 -1.10 0.00 0.00 -0.27 0.00 0.00 62.75 61.50 3ccz n ILE 531 Cb 0.44 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 3ccz n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ccz n GLY 532 N -0.21 0.58 3.16 3.28 0.00 -1.26 -4.84 105.19 105.90 3ccz n GLY 532 Ca 0.05 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.49 3ccz n GLY 532 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ccz s TYR 533 N -3.90 0.27 -0.34 1.61 -0.85 -0.89 -4.97 117.35 108.28 3ccz s TYR 533 Ca 0.00 -0.72 -0.03 0.00 -0.52 0.00 0.00 57.07 55.80 3ccz s TYR 533 Cb 0.00 -0.17 0.06 0.00 0.38 0.00 0.00 41.96 42.24 3ccz s TYR 533 CO 0.00 -0.48 0.07 1.41 -1.52 0.00 0.00 175.55 175.03 3ccz s MET 534 N -3.80 2.33 -0.14 -3.49 -2.45 -1.26 -4.17 119.30 106.32 3ccz s MET 534 Ca 0.05 -1.41 -0.29 0.00 -1.25 0.00 0.00 55.69 52.79 3ccz s MET 534 Cb 0.05 -3.33 -0.02 0.00 1.25 0.00 0.00 34.83 32.78 3ccz s MET 534 CO -0.10 -0.75 1.33 -1.25 1.05 0.00 0.00 175.02 175.29 3ccz s PRO 535 N 1.24 4.23 -0.25 4.11 0.04 -1.26 -5.01 135.00 138.11 3ccz s PRO 535 Ca -0.01 1.76 -0.06 0.00 0.04 0.00 0.00 61.00 62.73 3ccz s PRO 535 Cb -0.20 -3.79 -0.01 0.00 0.04 0.00 0.00 34.50 30.53 3ccz s PRO 535 CO -0.01 -0.72 0.03 0.42 0.04 0.00 0.00 177.00 176.76 3ccz s ILE 536 N 3.51 3.90 0.22 0.56 -1.09 -1.26 -5.08 121.20 121.96 3ccz s ILE 536 Ca 0.58 -0.38 -0.31 0.00 -2.23 0.00 0.00 60.65 58.31 3ccz s ILE 536 Cb -0.24 -2.84 -0.14 0.00 -1.58 0.00 0.00 42.46 37.66 3ccz s ILE 536 CO 0.18 0.33 1.28 -2.65 -1.23 0.00 0.00 174.94 172.84 3ccz n PRO 537 N 4.87 1.67 -4.17 2.79 -0.02 -1.26 -4.75 135.00 134.13 3ccz n PRO 537 Ca -0.17 0.59 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 3ccz n PRO 537 Cb 0.51 -2.16 -0.15 0.00 -0.02 0.00 0.00 33.50 31.68 3ccz n PRO 537 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ccz s VAL 538 N -0.25 2.81 0.42 -1.45 1.01 -1.26 -1.50 120.40 120.19 3ccz s VAL 538 Ca 0.68 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 62.04 3ccz s VAL 538 Cb -0.72 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 3ccz s VAL 538 CO 0.52 0.48 0.35 -0.83 0.00 0.00 0.00 175.10 175.63 3ccz s GLY 539 N 1.19 2.17 -0.06 4.51 0.00 -0.62 -4.90 107.32 109.61 3ccz s GLY 539 Ca 0.02 -1.92 0.05 0.00 0.00 0.00 0.00 44.72 42.88 3ccz s GLY 539 CO -0.05 -1.73 -0.23 0.54 0.00 0.00 0.00 173.10 171.64 3ccz s VAL 540 N -2.49 1.87 -0.21 1.40 0.11 -1.26 -1.23 120.40 118.59 3ccz s VAL 540 Ca 0.47 -0.96 0.01 0.00 -2.93 0.00 0.00 61.98 58.57 3ccz s VAL 540 Cb -0.02 -1.59 0.04 0.00 -1.53 0.00 0.00 36.38 33.29 3ccz s VAL 540 CO 0.27 0.52 -0.11 0.00 -3.33 0.00 0.00 175.10 172.46 3ccz s ALA 541 N -0.07 2.08 0.00 1.54 0.00 -0.78 -4.93 121.76 119.60 3ccz s ALA 541 Ca -0.05 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.63 3ccz s ALA 541 Cb -0.13 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.66 3ccz s ALA 541 CO 0.04 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.34 3ccz n GLY 542 N 4.65 -1.34 3.74 0.00 0.00 -1.26 -2.20 105.19 108.78 3ccz n GLY 542 Ca -0.15 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 3ccz n GLY 542 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ccz s PRO 543 N -1.25 4.56 -0.45 1.61 0.04 -1.26 -4.92 135.00 133.34 3ccz s PRO 543 Ca 0.00 1.81 -0.22 0.00 0.04 0.00 0.00 61.00 62.63 3ccz s PRO 543 Cb 0.00 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 31.33 3ccz s PRO 543 CO 0.00 0.04 0.74 -1.17 0.04 0.00 0.00 177.00 176.65 3ccz s LEU 544 N -0.63 4.34 -0.56 -3.56 2.96 -0.22 -4.66 118.68 116.35 3ccz s LEU 544 Ca 0.49 -0.20 -0.27 0.00 -0.22 0.00 0.00 54.13 53.94 3ccz s LEU 544 Cb -0.31 -2.88 0.03 0.00 0.50 0.00 0.00 46.19 43.53 3ccz s LEU 544 CO 0.38 -0.88 1.10 0.00 -1.32 0.00 0.00 176.35 175.63 3ccz s LEU 546 N 4.56 0.39 -1.31 0.00 2.96 -0.72 -1.17 118.68 123.38 3ccz s LEU 546 Ca 0.39 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.29 3ccz s LEU 546 Cb -0.09 -0.25 0.01 0.00 0.50 0.00 0.00 46.19 46.36 3ccz s LEU 546 CO 0.24 -0.22 0.82 0.47 -1.32 0.00 0.00 176.35 176.34 3ccz n ASP 547 N 5.15 -2.01 -1.76 3.68 8.00 -0.21 -2.18 116.55 127.21 3ccz n ASP 547 Ca -0.07 -0.76 -0.19 0.00 0.71 0.00 0.00 54.79 54.49 3ccz n ASP 547 Cb 0.50 -4.33 -0.06 0.00 -0.02 0.00 0.00 41.12 37.22 3ccz n ASP 547 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ccz n GLU 548 N -4.32 -1.42 -4.48 -1.24 1.02 -1.26 -4.97 120.64 103.95 3ccz n GLU 548 Ca -0.25 1.09 -0.24 0.00 -0.02 0.00 0.00 57.16 57.74 3ccz n GLU 548 Cb 0.65 -5.51 -0.09 0.00 -0.02 0.00 0.00 31.44 26.48 3ccz n GLU 548 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3ccz s LYS 549 N -4.14 1.83 -0.04 3.49 1.02 -0.93 -5.17 119.74 115.80 3ccz s LYS 549 Ca 0.00 -2.09 0.02 0.00 0.02 0.00 0.00 55.97 53.92 3ccz s LYS 549 Cb 0.00 -0.63 0.01 0.00 -0.52 0.00 0.00 37.83 36.70 3ccz s LYS 549 CO 0.00 -0.41 -0.08 -1.21 -0.92 0.00 0.00 175.35 172.74 3ccz s GLU 550 N -3.77 1.08 -0.04 1.68 2.02 -1.26 -1.75 118.70 116.66 3ccz s GLU 550 Ca 0.28 -0.24 0.05 0.00 0.02 0.00 0.00 54.97 55.08 3ccz s GLU 550 Cb 0.04 -0.99 -0.01 0.00 0.10 0.00 0.00 34.13 33.27 3ccz s GLU 550 CO 0.15 -0.00 -0.20 -0.06 0.02 0.00 0.00 175.26 175.17 3ccz s PHE 551 N 0.65 1.90 -0.42 1.61 0.40 -0.83 -4.92 117.98 116.38 3ccz s PHE 551 Ca -0.10 -0.52 -0.15 0.00 -0.60 0.00 0.00 56.93 55.56 3ccz s PHE 551 Cb -0.13 -1.26 0.03 0.00 0.51 0.00 0.00 43.02 42.16 3ccz s PHE 551 CO 0.01 -0.15 0.31 -0.65 0.70 0.00 0.00 175.22 175.44 3ccz s GLN 552 N -0.11 2.97 -0.31 0.44 -1.52 -1.26 -1.05 119.66 118.82 3ccz s GLN 552 Ca -0.02 -1.06 -0.15 0.00 -1.95 0.00 0.00 55.36 52.19 3ccz s GLN 552 Cb -0.11 -3.99 -0.02 0.00 -0.22 0.00 0.00 33.01 28.66 3ccz s GLN 552 CO 0.02 -0.78 0.37 0.08 -0.25 0.00 0.00 175.29 174.73 3ccz s VAL 553 N 1.67 5.17 0.30 1.09 1.01 -0.93 -4.52 120.40 124.19 3ccz s VAL 553 Ca 0.05 0.29 -0.28 0.00 0.00 0.00 0.00 61.98 62.04 3ccz s VAL 553 Cb -0.20 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 3ccz s VAL 553 CO 0.10 0.02 1.00 -2.16 0.00 0.00 0.00 175.10 174.05 3ccz s PRO 554 N 2.06 4.61 -0.25 2.72 0.04 -1.26 -1.86 135.00 141.05 3ccz s PRO 554 Ca 0.13 1.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.66 3ccz s PRO 554 Cb -0.16 -2.99 0.10 0.00 0.04 0.00 0.00 34.50 31.49 3ccz s PRO 554 CO 0.11 0.26 0.17 -1.64 0.04 0.00 0.00 177.00 175.94 3ccz s MET 555 N -1.73 0.19 -0.41 4.56 -1.94 -0.36 -4.30 119.30 115.32 3ccz s MET 555 Ca 0.47 -0.24 -0.25 0.00 -1.71 0.00 0.00 55.69 53.96 3ccz s MET 555 Cb -0.25 -1.20 0.02 0.00 2.01 0.00 0.00 34.83 35.42 3ccz s MET 555 CO 0.31 -0.89 0.87 0.00 -0.01 0.00 0.00 175.02 175.29 3ccz s ALA 556 N 2.20 3.34 0.11 3.03 0.00 -0.34 -1.59 121.76 128.51 3ccz s ALA 556 Ca 0.07 -0.69 -0.22 0.00 0.00 0.00 0.00 51.96 51.12 3ccz s ALA 556 Cb -0.16 -3.52 0.06 0.00 0.00 0.00 0.00 23.12 19.51 3ccz s ALA 556 CO -0.27 -1.76 0.55 -0.08 0.00 0.00 0.00 175.76 174.20 3ccz s THR 557 N 3.44 0.02 -0.14 0.00 -1.32 -0.56 -4.31 115.64 112.77 3ccz s THR 557 Ca 0.35 -0.16 0.10 0.00 -1.21 0.00 0.00 61.69 60.77 3ccz s THR 557 Cb -0.12 -1.03 0.19 0.00 -1.51 0.00 0.00 72.50 70.03 3ccz s THR 557 CO 0.21 -0.09 1.12 0.35 -2.21 0.00 0.00 174.62 174.00 3ccz n THR 558 N -0.09 1.47 -3.23 5.08 -2.24 -1.26 -4.18 114.28 109.83 3ccz n THR 558 Ca -0.17 -1.60 -0.40 0.00 -2.27 0.00 0.00 64.05 59.61 3ccz n THR 558 Cb 0.63 0.13 -0.08 0.00 -2.10 0.00 0.00 70.33 68.92 3ccz n THR 558 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ccz s GLU 559 N -1.93 3.97 0.38 -0.78 2.12 -1.26 -5.04 118.70 116.16 3ccz s GLU 559 Ca 0.19 0.22 -0.28 0.00 0.36 0.00 0.00 54.97 55.46 3ccz s GLU 559 Cb 0.15 -3.69 -0.10 0.00 0.26 0.00 0.00 34.13 30.75 3ccz s GLU 559 CO 0.03 -0.43 1.41 0.20 -0.54 0.00 0.00 175.26 175.93 3ccz s GLY 560 N 1.60 2.95 0.00 -1.50 0.00 -1.26 -2.96 107.32 106.15 3ccz s GLY 560 Ca 0.21 1.44 0.00 0.00 0.00 0.00 0.00 44.72 46.36 3ccz s GLY 560 CO 0.10 2.09 0.00 0.00 0.00 0.00 0.00 173.10 175.29 3ccz h LEU 562 N 0.00 0.53 -0.16 0.00 5.85 -1.97 -1.53 115.31 118.03 3ccz h LEU 562 Ca 0.00 -0.41 -0.07 0.00 0.84 0.00 0.00 57.88 58.24 3ccz h LEU 562 Cb 0.00 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 3ccz h LEU 562 CO 0.00 0.83 -0.16 0.58 -0.34 0.00 0.00 178.44 179.34 3ccz h VAL 563 N 0.24 1.34 -0.37 1.05 2.07 -1.91 -2.19 116.25 116.49 3ccz h VAL 563 Ca 0.06 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.20 3ccz h VAL 563 Cb 0.62 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 3ccz h VAL 563 CO 0.04 0.39 0.01 0.00 0.02 0.00 0.00 177.57 178.03 3ccz h ALA 564 N 0.62 1.32 -0.16 1.67 0.00 -1.92 -0.16 119.26 120.63 3ccz h ALA 564 Ca 0.03 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 3ccz h ALA 564 Cb 0.70 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ccz h ALA 564 CO 0.04 0.47 -0.51 1.03 0.00 0.00 0.00 179.25 180.28 3ccz h SER 565 N 0.56 0.73 -0.15 0.00 0.87 -1.27 -1.94 113.55 112.35 3ccz h SER 565 Ca 0.12 -0.60 -0.04 0.00 -1.23 0.00 0.00 61.79 60.04 3ccz h SER 565 Cb 0.35 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3ccz h SER 565 CO 0.01 1.20 -0.02 0.74 -0.53 0.00 0.00 176.83 178.23 3ccz h THR 566 N 0.30 1.18 -0.27 2.23 2.02 -1.21 -2.24 112.91 114.92 3ccz h THR 566 Ca -0.02 -0.72 -0.09 0.00 0.77 0.00 0.00 66.41 66.35 3ccz h THR 566 Cb 1.13 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 3ccz h THR 566 CO 0.11 0.24 -0.23 -1.13 0.37 0.00 0.00 175.52 174.88 3ccz h ASN 567 N 0.40 0.51 -0.18 4.18 -1.24 -0.86 -1.86 115.58 116.53 3ccz h ASN 567 Ca 0.09 -0.17 -0.12 0.00 0.71 0.00 0.00 56.30 56.81 3ccz h ASN 567 Cb 0.31 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 3ccz h ASN 567 CO 0.01 0.74 -0.29 -0.09 -1.29 0.00 0.00 177.43 176.52 3ccz h ARG 568 N 0.45 0.66 -0.41 6.67 2.43 -0.81 -2.19 114.38 121.19 3ccz h ARG 568 Ca 0.07 -0.29 -0.09 0.00 -0.81 0.00 0.00 59.98 58.86 3ccz h ARG 568 Cb 0.65 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 3ccz h ARG 568 CO 0.05 0.88 -0.12 0.78 -1.51 0.00 0.00 179.97 180.04 3ccz h GLY 569 N 0.99 0.79 1.10 2.80 0.00 -1.09 -2.31 103.07 105.35 3ccz h GLY 569 Ca 0.07 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.73 3ccz h GLY 569 CO 0.06 0.54 0.13 0.00 0.00 0.00 0.00 176.54 177.28 3ccz h ARG 571 N 1.04 0.77 -0.42 0.00 9.65 -1.13 -0.58 114.38 123.72 3ccz h ARG 571 Ca 0.21 -0.21 -0.13 0.00 -1.10 0.00 0.00 59.98 58.75 3ccz h ARG 571 Cb 0.41 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 3ccz h ARG 571 CO 0.01 0.78 -0.25 0.00 2.80 0.00 0.00 179.97 183.31 3ccz h ALA 572 N 1.27 0.59 -0.36 2.80 0.00 -1.30 -2.55 119.26 119.72 3ccz h ALA 572 Ca 0.14 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 3ccz h ALA 572 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3ccz h ALA 572 CO 0.02 0.60 -0.12 0.82 0.00 0.00 0.00 179.25 180.57 3ccz h ILE 573 N 0.73 1.25 -0.41 0.00 2.04 -1.15 -2.80 117.51 117.17 3ccz h ILE 573 Ca 0.09 -1.10 -0.12 0.00 1.00 0.00 0.00 64.86 64.74 3ccz h ILE 573 Cb 0.83 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3ccz h ILE 573 CO 0.07 0.37 -0.20 1.23 0.00 0.00 0.00 178.15 179.62 3ccz h GLY 574 N 0.96 0.92 2.00 5.37 0.00 -0.97 -1.46 103.07 109.90 3ccz h GLY 574 Ca 0.10 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3ccz h GLY 574 CO 0.03 0.76 0.00 1.04 0.00 0.00 0.00 176.54 178.37 3ccz n LEU 575 N -4.22 0.60 -2.00 3.11 4.77 -0.97 -3.25 117.00 115.04 3ccz n LEU 575 Ca -0.01 0.59 -0.06 0.00 -0.03 0.00 0.00 56.01 56.50 3ccz n LEU 575 Cb 0.43 -0.44 0.31 0.00 -2.33 0.00 0.00 43.42 41.38 3ccz n LEU 575 CO 0.45 -0.30 1.04 0.61 -1.33 0.00 0.00 177.39 177.86 3ccz n GLY 576 N 0.76 3.68 1.65 -0.72 0.00 -1.06 -4.86 105.19 104.65 3ccz n GLY 576 Ca 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3ccz n GLY 576 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ccz n GLY 577 N -0.17 2.10 0.00 -0.02 0.00 -1.20 -4.51 105.19 101.39 3ccz n GLY 577 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 3ccz n GLY 577 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ccz n GLY 578 N -2.00 0.97 3.69 -0.02 0.00 -0.57 -4.99 105.19 102.28 3ccz n GLY 578 Ca 0.00 -2.11 -0.24 0.00 0.00 0.00 0.00 46.02 43.68 3ccz n GLY 578 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ccz s ALA 579 N -1.43 3.28 -0.02 4.61 0.00 -0.32 -4.53 121.76 123.35 3ccz s ALA 579 Ca 0.00 -1.50 0.04 0.00 0.00 0.00 0.00 51.96 50.50 3ccz s ALA 579 Cb 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 3ccz s ALA 579 CO 0.00 0.34 -0.14 -1.12 0.00 0.00 0.00 175.76 174.83 3ccz s SER 580 N -3.47 1.72 0.15 0.00 0.01 -0.78 -1.05 113.70 110.28 3ccz s SER 580 Ca 0.30 -0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.33 3ccz s SER 580 Cb -0.08 -0.32 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 3ccz s SER 580 CO 0.21 0.15 -0.08 -0.94 0.41 0.00 0.00 173.24 172.98 3ccz s SER 581 N -0.14 1.70 -0.06 2.44 1.04 -1.26 -1.68 113.70 115.74 3ccz s SER 581 Ca 0.02 -1.04 -0.04 0.00 0.48 0.00 0.00 55.95 55.37 3ccz s SER 581 Cb -0.08 0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.08 3ccz s SER 581 CO 0.00 -0.38 0.14 -0.13 0.98 0.00 0.00 173.24 173.86 3ccz s ARG 582 N -3.78 0.13 -0.31 4.02 1.81 -0.64 -5.00 118.95 115.18 3ccz s ARG 582 Ca 0.18 0.29 -0.25 0.00 -1.72 0.00 0.00 55.73 54.23 3ccz s ARG 582 Cb 0.03 -0.06 0.00 0.00 -0.45 0.00 0.00 34.95 34.48 3ccz s ARG 582 CO 0.01 -0.10 0.87 0.08 -0.68 0.00 0.00 175.30 175.48 3ccz s VAL 583 N 0.65 4.72 -0.06 3.52 1.01 -1.26 -2.18 120.40 126.81 3ccz s VAL 583 Ca -0.05 1.35 0.13 0.00 0.00 0.00 0.00 61.98 63.42 3ccz s VAL 583 Cb -0.06 -4.22 -0.19 0.00 0.00 0.00 0.00 36.38 31.91 3ccz s VAL 583 CO -0.03 -0.30 0.77 -0.07 0.00 0.00 0.00 175.10 175.47 3ccz h LEU 584 N 9.60 0.00 -7.14 3.92 3.38 -1.17 -3.49 115.31 120.41 3ccz h LEU 584 Ca -0.23 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 3ccz h LEU 584 Cb 1.09 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.71 3ccz h LEU 584 CO 0.92 0.87 0.10 0.00 0.09 0.00 0.00 178.44 180.42 3ccz s ALA 585 N -2.71 -1.37 -0.22 1.53 0.00 -1.20 -4.97 121.76 112.83 3ccz s ALA 585 Ca -0.03 0.36 -0.05 0.00 0.00 0.00 0.00 51.96 52.24 3ccz s ALA 585 Cb 0.08 0.74 0.11 0.00 0.00 0.00 0.00 23.12 24.06 3ccz s ALA 585 CO 0.82 -0.69 0.42 0.34 0.00 0.00 0.00 175.76 176.65 3ccz s ASP 586 N -2.63 -0.14 0.00 0.00 2.15 -1.25 -1.72 116.67 113.09 3ccz s ASP 586 Ca 0.00 0.69 0.00 0.00 0.43 0.00 0.00 52.55 53.67 3ccz s ASP 586 Cb -0.00 1.32 0.00 0.00 -0.30 0.00 0.00 42.92 43.94 3ccz s ASP 586 CO -0.11 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.24 3ccz n GLY 587 N 5.38 -0.03 3.77 2.66 0.00 -0.67 -4.17 105.19 112.12 3ccz n GLY 587 Ca -0.06 0.75 -0.35 0.00 0.00 0.00 0.00 46.02 46.36 3ccz n GLY 587 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ccz s MET 588 N 0.00 3.31 0.19 1.61 1.75 -0.77 -1.57 119.30 123.81 3ccz s MET 588 Ca 0.00 1.62 0.07 0.00 -1.25 0.00 0.00 55.69 56.13 3ccz s MET 588 Cb 0.00 -2.00 -0.05 0.00 2.84 0.00 0.00 34.83 35.63 3ccz s MET 588 CO 0.00 -0.89 -0.15 0.95 -0.65 0.00 0.00 175.02 174.29 3ccz s THR 589 N -1.78 1.67 -0.00 10.11 -4.23 -1.26 -1.99 115.64 118.16 3ccz s THR 589 Ca 0.73 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 3ccz s THR 589 Cb -0.24 -1.96 -0.00 0.00 1.34 0.00 0.00 72.50 71.64 3ccz s THR 589 CO 0.28 -0.55 -0.01 -0.60 -0.54 0.00 0.00 174.62 173.20 3ccz s ARG 590 N -3.46 0.07 -0.55 3.99 6.06 -0.73 -4.91 118.95 119.42 3ccz s ARG 590 Ca 0.20 -0.03 0.07 0.00 -2.50 0.00 0.00 55.73 53.47 3ccz s ARG 590 Cb -0.02 -0.07 0.25 0.00 0.06 0.00 0.00 34.95 35.17 3ccz s ARG 590 CO 0.06 0.01 0.67 0.41 -2.50 0.00 0.00 175.30 173.95 3ccz n GLY 591 N 3.08 4.12 3.69 8.12 0.00 -1.26 -1.34 105.19 121.61 3ccz n GLY 591 Ca -0.12 -2.35 -0.31 0.00 0.00 0.00 0.00 46.02 43.23 3ccz n GLY 591 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ccz s PRO 592 N -2.01 1.27 -0.14 1.61 0.04 -1.08 -0.97 135.00 133.72 3ccz s PRO 592 Ca 0.38 1.54 0.01 0.00 0.04 0.00 0.00 61.00 62.97 3ccz s PRO 592 Cb 0.16 -1.76 -0.00 0.00 0.04 0.00 0.00 34.50 32.94 3ccz s PRO 592 CO -0.05 -2.45 -0.17 0.54 0.04 0.00 0.00 177.00 174.92 3ccz s VAL 593 N -2.61 2.62 0.36 -0.36 0.11 -0.73 -2.32 120.40 117.47 3ccz s VAL 593 Ca 0.67 -0.80 0.08 0.00 -2.93 0.00 0.00 61.98 59.00 3ccz s VAL 593 Cb -0.23 -2.08 -0.06 0.00 -1.53 0.00 0.00 36.38 32.48 3ccz s VAL 593 CO 0.56 0.53 0.05 0.68 -3.33 0.00 0.00 175.10 173.59 3ccz s VAL 594 N 0.60 2.51 -0.05 2.04 -7.23 -0.67 -2.38 120.40 115.22 3ccz s VAL 594 Ca -0.09 -1.91 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 3ccz s VAL 594 Cb -0.16 -2.87 0.03 0.00 0.56 0.00 0.00 36.38 33.94 3ccz s VAL 594 CO 0.03 -0.14 0.07 -0.13 -0.31 0.00 0.00 175.10 174.62 3ccz s ARG 595 N -3.76 -0.07 0.41 4.82 0.52 -0.38 -1.52 118.95 118.98 3ccz s ARG 595 Ca 0.36 0.36 0.03 0.00 -0.52 0.00 0.00 55.73 55.97 3ccz s ARG 595 Cb 0.02 -0.57 -0.00 0.00 0.52 0.00 0.00 34.95 34.92 3ccz s ARG 595 CO 0.20 -0.35 0.59 -0.51 0.02 0.00 0.00 175.30 175.26 3ccz s LEU 596 N 2.17 3.76 0.25 2.53 2.01 -0.64 -1.51 118.68 127.25 3ccz s LEU 596 Ca 0.05 0.08 -0.04 0.00 0.01 0.00 0.00 54.13 54.23 3ccz s LEU 596 Cb -0.12 -2.98 0.40 0.00 0.01 0.00 0.00 46.19 43.50 3ccz s LEU 596 CO -0.03 -0.61 1.84 -0.65 1.01 0.00 0.00 176.35 177.90 3ccz h PRO 597 N 0.58 0.92 -4.89 1.29 0.11 -1.87 -3.45 132.00 124.69 3ccz h PRO 597 Ca -0.46 -0.06 -0.32 0.00 0.11 0.00 0.00 66.00 65.28 3ccz h PRO 597 Cb 1.26 -0.21 -0.15 0.00 0.11 0.00 0.00 31.00 32.01 3ccz h PRO 597 CO 0.55 0.61 -0.66 1.03 -0.21 0.00 0.00 178.00 179.32 3ccz s ARG 598 N -6.03 1.18 0.44 1.05 0.52 -1.26 -4.97 118.95 109.87 3ccz s ARG 598 Ca -0.12 -1.58 0.13 0.00 -0.52 0.00 0.00 55.73 53.64 3ccz s ARG 598 Cb 0.20 -0.37 0.97 0.00 0.52 0.00 0.00 34.95 36.26 3ccz s ARG 598 CO 0.79 -0.12 1.98 0.00 0.02 0.00 0.00 175.30 177.98 3ccz h ALA 599 N 2.63 1.67 -0.20 2.13 0.00 -1.87 -2.06 119.26 121.56 3ccz h ALA 599 Ca -0.37 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 3ccz h ALA 599 Cb 1.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3ccz h ALA 599 CO 0.63 0.24 -0.14 0.00 0.00 0.00 0.00 179.25 179.98 3ccz h ASP 601 N 0.32 0.86 0.07 0.00 3.32 -1.84 -2.92 116.42 116.23 3ccz h ASP 601 Ca 0.06 -0.79 -0.08 0.00 0.02 0.00 0.00 57.03 56.24 3ccz h ASP 601 Cb 0.45 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3ccz h ASP 601 CO 0.03 1.56 -0.24 0.77 -1.72 0.00 0.00 179.24 179.63 3ccz h SER 602 N 0.27 0.29 -0.20 6.45 4.64 -1.29 -2.16 113.55 121.56 3ccz h SER 602 Ca -0.16 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 60.98 3ccz h SER 602 Cb 1.79 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.79 3ccz h SER 602 CO 0.22 0.54 -0.17 0.00 -0.87 0.00 0.00 176.83 176.55 3ccz h ALA 603 N 1.49 1.08 -0.53 5.18 0.00 -1.38 -2.19 119.26 122.91 3ccz h ALA 603 Ca 0.04 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 3ccz h ALA 603 Cb 0.58 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ccz h ALA 603 CO 0.04 0.56 0.03 1.49 0.00 0.00 0.00 179.25 181.37 3ccz h GLU 604 N 0.56 0.87 -0.12 0.00 4.81 -1.20 -2.27 114.58 117.23 3ccz h GLU 604 Ca 0.09 -0.24 -0.17 0.00 -0.13 0.00 0.00 59.36 58.92 3ccz h GLU 604 Cb 0.60 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3ccz h GLU 604 CO 0.04 0.86 -0.63 0.28 -0.73 0.00 0.00 179.01 178.83 3ccz h VAL 605 N 0.82 1.35 -0.51 0.32 2.07 -1.21 -1.98 116.25 117.11 3ccz h VAL 605 Ca 0.16 -1.96 -0.08 0.00 0.82 0.00 0.00 66.70 65.64 3ccz h VAL 605 Cb 0.45 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3ccz h VAL 605 CO 0.02 0.59 -0.01 0.50 0.02 0.00 0.00 177.57 178.69 3ccz h LYS 606 N 0.32 0.90 -0.23 1.57 3.64 -1.28 -1.95 116.57 119.54 3ccz h LYS 606 Ca -0.01 -0.29 -0.09 0.00 -1.27 0.00 0.00 60.65 58.98 3ccz h LYS 606 Cb 1.18 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 3ccz h LYS 606 CO 0.11 0.94 -0.26 0.00 -2.27 0.00 0.00 179.45 177.96 3ccz h ALA 607 N 0.93 1.13 -0.40 5.00 0.00 -1.35 -2.59 119.26 121.99 3ccz h ALA 607 Ca 0.14 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 3ccz h ALA 607 Cb 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ccz h ALA 607 CO 0.03 0.55 -0.12 2.35 0.00 0.00 0.00 179.25 182.05 3ccz h TRP 608 N 0.38 0.89 0.00 0.00 7.01 -1.14 -2.74 115.95 120.34 3ccz h TRP 608 Ca 0.06 -0.20 -0.02 0.00 2.11 0.00 0.00 58.89 60.83 3ccz h TRP 608 Cb 0.66 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 27.51 3ccz h TRP 608 CO 0.02 0.93 -0.11 -0.07 -2.79 0.00 0.00 178.44 176.42 3ccz h LEU 609 N 0.59 0.00 0.00 0.65 3.38 -1.26 -3.05 115.31 115.63 3ccz h LEU 609 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3ccz h LEU 609 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3ccz h LEU 609 CO 0.04 0.11 -0.52 -0.33 0.09 0.00 0.00 178.44 177.84 3ccz h GLU 610 N 0.00 0.00 -7.17 1.13 5.08 -1.18 -3.32 114.58 109.11 3ccz h GLU 610 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 3ccz h GLU 610 Cb 0.52 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.85 3ccz h GLU 610 CO 0.01 0.02 0.39 0.95 -1.00 0.00 0.00 179.01 179.38 3ccz s THR 611 N -3.27 3.44 0.41 1.13 -4.23 -1.07 -4.94 115.64 107.12 3ccz s THR 611 Ca 0.03 0.72 0.11 0.00 -1.18 0.00 0.00 61.69 61.38 3ccz s THR 611 Cb 0.07 -3.24 0.18 0.00 1.34 0.00 0.00 72.50 70.85 3ccz s THR 611 CO 0.73 -0.36 1.96 0.77 -0.54 0.00 0.00 174.62 177.17 3ccz h SER 612 N 0.45 0.17 -0.04 3.99 4.64 -1.88 -2.54 113.55 118.33 3ccz h SER 612 Ca -0.47 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 60.69 3ccz h SER 612 Cb 1.24 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3ccz h SER 612 CO 0.56 0.31 -0.46 -0.33 -0.87 0.00 0.00 176.83 176.03 3ccz h GLU 613 N 0.17 0.38 -0.58 4.77 3.07 -1.92 -2.65 114.58 117.83 3ccz h GLU 613 Ca 0.04 -0.36 -0.11 0.00 -0.50 0.00 0.00 59.36 58.43 3ccz h GLU 613 Cb 0.31 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 3ccz h GLU 613 CO 0.02 1.02 -0.06 0.78 -1.40 0.00 0.00 179.01 179.36 3ccz h GLY 614 N -0.12 1.15 1.76 -3.84 0.00 -1.66 -2.78 103.07 97.58 3ccz h GLY 614 Ca -0.05 -0.90 -0.09 0.00 0.00 0.00 0.00 47.33 46.30 3ccz h GLY 614 CO 0.09 0.82 -0.29 -2.75 0.00 0.00 0.00 176.54 174.42 3ccz h PHE 615 N 0.95 0.31 -0.28 5.60 3.57 -1.54 -2.76 116.94 122.79 3ccz h PHE 615 Ca 0.16 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 3ccz h PHE 615 Cb 0.64 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3ccz h PHE 615 CO 0.04 0.55 -0.27 0.00 -2.23 0.00 0.00 178.31 176.40 3ccz h ALA 616 N 1.46 1.02 -0.21 2.41 0.00 -1.24 -0.37 119.26 122.33 3ccz h ALA 616 Ca 0.04 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.39 3ccz h ALA 616 Cb 0.64 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.31 3ccz h ALA 616 CO 0.05 0.59 -0.63 0.28 0.00 0.00 0.00 179.25 179.53 3ccz h VAL 617 N 0.48 1.28 -0.06 0.00 2.07 -1.38 -2.46 116.25 116.19 3ccz h VAL 617 Ca 0.07 -1.83 -0.15 0.00 0.82 0.00 0.00 66.70 65.60 3ccz h VAL 617 Cb 0.71 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 3ccz h VAL 617 CO 0.05 0.59 -0.63 0.40 0.02 0.00 0.00 177.57 178.00 3ccz h ILE 618 N 0.54 1.40 -0.12 4.57 1.08 -1.40 -2.92 117.51 120.66 3ccz h ILE 618 Ca -0.02 -2.05 -0.12 0.00 -0.39 0.00 0.00 64.86 62.28 3ccz h ILE 618 Cb 1.26 2.05 -0.01 0.00 -3.07 0.00 0.00 36.82 37.04 3ccz h ILE 618 CO 0.14 0.60 -0.45 0.50 -0.69 0.00 0.00 178.15 178.25 3ccz h LYS 619 N 0.17 0.28 -0.42 2.37 3.64 -1.06 -2.13 116.57 119.43 3ccz h LYS 619 Ca -0.01 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 3ccz h LYS 619 Cb 1.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3ccz h LYS 619 CO 0.10 0.68 -0.09 1.49 -2.27 0.00 0.00 179.45 179.36 3ccz h GLU 620 N 0.23 0.79 -0.34 1.90 4.81 -1.31 -1.97 114.58 118.70 3ccz h GLU 620 Ca 0.02 -0.30 -0.16 0.00 -0.13 0.00 0.00 59.36 58.79 3ccz h GLU 620 Cb 0.88 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 3ccz h GLU 620 CO 0.07 0.91 -0.41 0.00 -0.73 0.00 0.00 179.01 178.86 3ccz h ALA 621 N 0.86 0.51 -0.20 2.92 0.00 -1.45 -2.81 119.26 119.09 3ccz h ALA 621 Ca 0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3ccz h ALA 621 Cb 0.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ccz h ALA 621 CO 0.04 0.62 0.07 0.35 0.00 0.00 0.00 179.25 180.33 3ccz h PHE 622 N 0.67 0.31 0.00 0.00 3.57 -1.37 -3.09 116.94 117.04 3ccz h PHE 622 Ca 0.05 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3ccz h PHE 622 Cb 1.00 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.65 3ccz h PHE 622 CO 0.07 0.38 0.00 -0.44 -2.23 0.00 0.00 178.31 176.09 3ccz h ASP 623 N 0.15 0.00 0.74 0.41 5.19 -1.40 -3.07 116.42 118.44 3ccz h ASP 623 Ca 0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3ccz h ASP 623 Cb 0.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.72 3ccz h ASP 623 CO -0.00 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 174.58 3ccz n SER 624 N -2.86 0.12 0.13 6.45 3.41 -1.06 -3.40 113.62 116.41 3ccz n SER 624 Ca 0.02 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.25 3ccz n SER 624 Cb 0.35 -0.55 0.04 0.00 -0.26 0.00 0.00 64.21 63.80 3ccz n SER 624 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3ccz h THR 625 N 0.00 0.11 -3.23 6.66 1.35 -1.66 -3.48 112.91 112.65 3ccz h THR 625 Ca 0.00 -1.18 -0.06 0.00 -0.55 0.00 0.00 66.41 64.62 3ccz h THR 625 Cb 0.37 1.77 -0.15 0.00 -1.73 0.00 0.00 68.15 68.41 3ccz h THR 625 CO 0.00 0.06 -0.09 -0.55 -0.25 0.00 0.00 175.52 174.69 3ccz s SER 626 N -5.74 -0.25 0.23 5.36 0.15 -1.22 -4.98 113.70 107.26 3ccz s SER 626 Ca 0.02 -0.18 -0.04 0.00 0.70 0.00 0.00 55.95 56.44 3ccz s SER 626 Cb 0.08 0.45 0.24 0.00 -1.71 0.00 0.00 66.02 65.08 3ccz s SER 626 CO 0.75 -0.77 1.72 0.03 1.20 0.00 0.00 173.24 176.17 3ccz h ARG 627 N 2.65 0.90 -0.02 5.44 3.08 -1.93 -3.13 114.38 121.37 3ccz h ARG 627 Ca -0.33 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.47 3ccz h ARG 627 Cb 1.23 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3ccz h ARG 627 CO 0.45 0.89 -0.10 1.19 -1.07 0.00 0.00 179.97 181.33 3ccz n PHE 628 N -4.20 0.00 -2.35 3.04 3.01 -1.26 -4.89 117.46 110.80 3ccz n PHE 628 Ca 0.03 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.06 3ccz n PHE 628 Cb 0.31 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.74 3ccz n PHE 628 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ccz s ALA 629 N -2.15 3.03 -0.26 4.37 0.00 -1.19 -4.27 121.76 121.29 3ccz s ALA 629 Ca 0.30 -0.19 -0.00 0.00 0.00 0.00 0.00 51.96 52.07 3ccz s ALA 629 Cb 0.20 -3.95 0.08 0.00 0.00 0.00 0.00 23.12 19.44 3ccz s ALA 629 CO 0.39 -2.44 0.03 0.50 0.00 0.00 0.00 175.76 174.24 3ccz s ARG 630 N 4.98 1.07 -0.04 0.00 3.52 -1.26 -4.49 118.95 122.73 3ccz s ARG 630 Ca 0.61 -0.96 -0.30 0.00 -0.13 0.00 0.00 55.73 54.95 3ccz s ARG 630 Cb -0.13 -2.33 -0.03 0.00 -1.56 0.00 0.00 34.95 30.89 3ccz s ARG 630 CO 0.32 -0.77 1.15 -1.17 -0.81 0.00 0.00 175.30 174.03 3ccz s LEU 631 N 1.54 4.29 0.81 -0.88 2.96 -1.26 -3.99 118.68 122.15 3ccz s LEU 631 Ca 0.02 1.79 -0.05 0.00 -0.22 0.00 0.00 54.13 55.67 3ccz s LEU 631 Cb -0.18 -3.56 0.17 0.00 0.50 0.00 0.00 46.19 43.12 3ccz s LEU 631 CO -0.13 -0.52 1.11 -1.10 -1.32 0.00 0.00 176.35 174.39 3ccz s GLN 632 N 1.92 1.22 0.30 1.98 -0.21 -0.54 -5.02 119.66 119.30 3ccz s GLN 632 Ca 0.55 -1.04 -0.29 0.00 0.02 0.00 0.00 55.36 54.60 3ccz s GLN 632 Cb -0.24 -2.19 -0.13 0.00 1.00 0.00 0.00 33.01 31.45 3ccz s GLN 632 CO 0.23 -1.84 1.34 1.17 -2.12 0.00 0.00 175.29 174.07 3ccz n LYS 633 N -3.15 2.08 -1.97 2.91 4.81 -1.26 -4.71 118.16 116.87 3ccz n LYS 633 Ca 0.17 0.73 -0.32 0.00 -0.87 0.00 0.00 58.31 58.01 3ccz n LYS 633 Cb 0.60 -2.34 0.02 0.00 0.02 0.00 0.00 35.03 33.33 3ccz n LYS 633 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3ccz s LEU 634 N -0.48 3.44 -0.36 3.14 1.43 -1.26 -4.75 118.68 119.83 3ccz s LEU 634 Ca 0.61 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 3ccz s LEU 634 Cb -0.60 -4.53 0.12 0.00 0.03 0.00 0.00 46.19 41.21 3ccz s LEU 634 CO 0.57 -1.21 0.16 -2.28 0.23 0.00 0.00 176.35 173.82 3ccz s HIS 635 N -2.55 1.62 0.23 0.29 5.65 -1.17 -5.00 115.29 114.36 3ccz s HIS 635 Ca 0.63 -1.93 0.07 0.00 0.25 0.00 0.00 55.06 54.08 3ccz s HIS 635 Cb -0.16 -1.64 -0.04 0.00 -1.18 0.00 0.00 32.58 29.56 3ccz s HIS 635 CO 0.40 -0.84 0.14 0.95 -0.65 0.00 0.00 174.74 174.74 3ccz s THR 636 N 1.13 4.25 -0.25 0.89 -4.23 -1.26 -1.54 115.64 114.63 3ccz s THR 636 Ca 0.14 -1.41 -0.10 0.00 -1.18 0.00 0.00 61.69 59.13 3ccz s THR 636 Cb -0.20 -3.25 0.10 0.00 1.34 0.00 0.00 72.50 70.48 3ccz s THR 636 CO -0.13 -0.28 0.56 -0.44 -0.54 0.00 0.00 174.62 173.79 3ccz s SER 637 N -3.58 -0.76 0.20 3.99 0.01 -0.62 -5.00 113.70 107.94 3ccz s SER 637 Ca 0.32 1.30 -0.12 0.00 1.31 0.00 0.00 55.95 58.76 3ccz s SER 637 Cb -0.08 1.61 -0.07 0.00 0.21 0.00 0.00 66.02 67.68 3ccz s SER 637 CO 0.23 -0.22 0.56 -0.63 0.41 0.00 0.00 173.24 173.59 3ccz s ILE 638 N 2.31 4.88 -0.41 1.44 1.01 -1.26 -1.21 121.20 127.96 3ccz s ILE 638 Ca -0.06 0.66 0.04 0.00 0.00 0.00 0.00 60.65 61.28 3ccz s ILE 638 Cb -0.10 -3.67 0.17 0.00 0.01 0.00 0.00 42.46 38.87 3ccz s ILE 638 CO -0.17 0.06 0.36 0.00 0.00 0.00 0.00 174.94 175.19 3ccz s ALA 639 N -1.67 1.13 0.00 9.38 0.00 -0.92 -4.98 121.76 124.71 3ccz s ALA 639 Ca 0.44 -2.28 0.00 0.00 0.00 0.00 0.00 51.96 50.12 3ccz s ALA 639 Cb -0.13 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.33 3ccz s ALA 639 CO 0.20 -2.00 0.00 0.41 0.00 0.00 0.00 175.76 174.37 3ccz n GLY 640 N 2.94 1.40 0.00 0.00 0.00 -1.26 -2.49 105.19 105.77 3ccz n GLY 640 Ca 0.28 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 45.93 3ccz n GLY 640 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3ccz n ARG 641 N 12.68 0.45 -2.71 1.61 1.85 -1.26 -4.37 116.66 124.91 3ccz n ARG 641 Ca 0.00 0.01 -0.33 0.00 -1.00 0.00 0.00 57.85 56.53 3ccz n ARG 641 Cb 0.00 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.85 3ccz n ARG 641 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3ccz s ASN 642 N -2.53 6.76 -0.06 2.89 -0.87 -1.04 -1.62 114.94 118.47 3ccz s ASN 642 Ca 0.29 1.74 -0.01 0.00 -1.57 0.00 0.00 52.86 53.30 3ccz s ASN 642 Cb 0.19 -2.54 0.03 0.00 -0.02 0.00 0.00 41.25 38.91 3ccz s ASN 642 CO 0.43 -0.49 0.02 -0.22 -2.57 0.00 0.00 177.10 174.28 3ccz s LEU 643 N -3.34 0.50 -0.30 0.60 2.96 -0.57 -2.15 118.68 116.38 3ccz s LEU 643 Ca 0.63 -0.03 -0.11 0.00 -0.22 0.00 0.00 54.13 54.40 3ccz s LEU 643 Cb -0.11 -0.32 -0.03 0.00 0.50 0.00 0.00 46.19 46.23 3ccz s LEU 643 CO 0.16 -0.20 0.19 -0.31 -1.32 0.00 0.00 176.35 174.87 3ccz s TYR 644 N 1.94 3.20 -0.18 5.38 1.51 -0.35 -1.68 117.35 127.18 3ccz s TYR 644 Ca 0.03 -0.14 -0.03 0.00 -1.01 0.00 0.00 57.07 55.92 3ccz s TYR 644 Cb -0.12 -2.40 -0.02 0.00 -0.11 0.00 0.00 41.96 39.31 3ccz s TYR 644 CO -0.04 -0.29 -0.06 0.42 -1.11 0.00 0.00 175.55 174.48 3ccz s ILE 645 N 1.71 3.54 -0.52 2.71 1.01 -0.98 -1.58 121.20 127.09 3ccz s ILE 645 Ca 0.06 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 3ccz s ILE 645 Cb -0.17 -2.56 0.13 0.00 0.01 0.00 0.00 42.46 39.87 3ccz s ILE 645 CO 0.09 0.47 0.41 -0.60 0.00 0.00 0.00 174.94 175.31 3ccz s ARG 646 N 0.80 2.64 0.17 2.79 3.52 -0.59 -2.94 118.95 125.35 3ccz s ARG 646 Ca -0.02 -1.85 -0.30 0.00 -0.13 0.00 0.00 55.73 53.43 3ccz s ARG 646 Cb -0.15 -4.01 -0.07 0.00 -1.56 0.00 0.00 34.95 29.16 3ccz s ARG 646 CO 0.02 -1.22 0.96 -0.06 -0.81 0.00 0.00 175.30 174.18 3ccz s PHE 647 N 1.23 3.89 -0.00 5.12 0.40 -0.45 -3.04 117.98 125.12 3ccz s PHE 647 Ca 0.07 1.85 0.00 0.00 -0.60 0.00 0.00 56.93 58.25 3ccz s PHE 647 Cb -0.25 -3.03 0.00 0.00 0.51 0.00 0.00 43.02 40.25 3ccz s PHE 647 CO -0.01 0.29 -0.01 -1.14 0.70 0.00 0.00 175.22 175.06 3ccz s GLN 648 N -0.57 0.10 -0.16 0.44 0.74 -1.26 -1.78 119.66 117.17 3ccz s GLN 648 Ca 0.44 -0.03 -0.30 0.00 0.05 0.00 0.00 55.36 55.53 3ccz s GLN 648 Cb -0.25 -0.11 0.11 0.00 1.10 0.00 0.00 33.01 33.86 3ccz s GLN 648 CO 0.31 0.01 0.93 0.45 -0.55 0.00 0.00 175.29 176.44 3ccz s SER 649 N 0.05 -0.45 0.86 6.67 0.15 -0.84 -1.46 113.70 118.67 3ccz s SER 649 Ca -0.00 0.55 -0.10 0.00 0.70 0.00 0.00 55.95 57.10 3ccz s SER 649 Cb -0.01 0.45 0.11 0.00 -1.71 0.00 0.00 66.02 64.86 3ccz s SER 649 CO -0.00 -0.37 1.13 -0.13 1.20 0.00 0.00 173.24 175.07 3ccz s ARG 650 N -0.92 1.47 -0.22 5.44 0.52 -1.26 -1.85 118.95 122.13 3ccz s ARG 650 Ca -0.03 1.44 0.21 0.00 -0.52 0.00 0.00 55.73 56.83 3ccz s ARG 650 Cb -0.01 -1.79 0.46 0.00 0.52 0.00 0.00 34.95 34.13 3ccz s ARG 650 CO 0.02 -2.28 1.19 -1.13 0.02 0.00 0.00 175.30 173.12 3ccz n SER 651 N -3.93 0.88 0.00 0.23 3.41 -1.26 -4.30 113.62 108.65 3ccz n SER 651 Ca 0.11 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 3ccz n SER 651 Cb 0.52 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3ccz n SER 651 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ccz n GLY 652 N -0.54 3.38 0.40 5.00 0.00 -1.26 -2.05 105.19 110.10 3ccz n GLY 652 Ca 0.01 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3ccz n GLY 652 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ccz n ASP 653 N 3.96 1.60 -4.80 1.61 8.00 -1.26 -3.93 116.55 121.73 3ccz n ASP 653 Ca 0.00 -1.25 -0.33 0.00 0.71 0.00 0.00 54.79 53.92 3ccz n ASP 653 Cb 0.00 0.31 0.02 0.00 -0.02 0.00 0.00 41.12 41.43 3ccz n ASP 653 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ccz s ALA 654 N -2.47 2.69 0.24 2.24 0.00 -0.87 -0.95 121.76 122.65 3ccz s ALA 654 Ca 0.22 0.42 -0.06 0.00 0.00 0.00 0.00 51.96 52.54 3ccz s ALA 654 Cb 0.19 -3.25 0.24 0.00 0.00 0.00 0.00 23.12 20.30 3ccz s ALA 654 CO 0.54 -0.90 1.90 1.98 0.00 0.00 0.00 175.76 179.28 3ccz h MET 655 N 0.37 1.30 0.00 0.00 4.05 -1.75 -3.43 114.93 115.47 3ccz h MET 655 Ca -0.47 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 3ccz h MET 655 Cb 1.23 -0.28 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 3ccz h MET 655 CO 0.57 0.90 0.00 0.41 0.23 0.00 0.00 176.91 179.02 3ccz n GLY 656 N -1.27 0.86 0.21 1.39 0.00 -1.26 -4.70 105.19 100.41 3ccz n GLY 656 Ca 0.11 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 3ccz n GLY 656 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3ccz h MET 657 N 2.52 0.68 -0.15 1.61 2.86 -1.94 -1.06 114.93 119.45 3ccz h MET 657 Ca 0.00 -0.18 -0.16 0.00 -2.06 0.00 0.00 59.70 57.29 3ccz h MET 657 Cb 0.00 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3ccz h MET 657 CO 0.00 0.73 -0.60 -0.91 1.06 0.00 0.00 176.91 177.19 3ccz h ASN 658 N 0.53 0.56 -0.43 1.22 2.35 -1.99 -2.15 115.58 115.68 3ccz h ASN 658 Ca 0.12 -0.31 -0.14 0.00 -0.55 0.00 0.00 56.30 55.42 3ccz h ASN 658 Cb 0.38 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3ccz h ASN 658 CO 0.01 1.03 -0.27 -0.03 -1.65 0.00 0.00 177.43 176.51 3ccz h MET 659 N 0.37 0.94 0.00 0.81 4.05 -1.95 -2.10 114.93 117.05 3ccz h MET 659 Ca -0.00 -0.44 -0.12 0.00 -0.28 0.00 0.00 59.70 58.85 3ccz h MET 659 Cb 1.14 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.91 3ccz h MET 659 CO 0.11 1.10 -0.59 0.82 0.23 0.00 0.00 176.91 178.59 3ccz h ILE 660 N 0.78 1.20 -0.24 1.77 1.08 -1.23 -2.55 117.51 118.33 3ccz h ILE 660 Ca 0.09 -2.17 -0.18 0.00 -0.39 0.00 0.00 64.86 62.21 3ccz h ILE 660 Cb 0.86 2.25 -0.00 0.00 -3.07 0.00 0.00 36.82 36.85 3ccz h ILE 660 CO 0.08 0.57 -0.56 0.28 -0.69 0.00 0.00 178.15 177.83 3ccz h SER 661 N 0.00 0.83 -0.39 1.72 0.02 -1.27 -1.51 113.55 112.96 3ccz h SER 661 Ca -0.01 -0.45 -0.16 0.00 -0.84 0.00 0.00 61.79 60.34 3ccz h SER 661 Cb 1.20 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 3ccz h SER 661 CO 0.08 1.22 -0.36 0.50 -1.14 0.00 0.00 176.83 177.12 3ccz h LYS 662 N 0.57 0.94 -0.13 3.45 3.64 -1.33 -2.26 116.57 121.45 3ccz h LYS 662 Ca 0.01 -0.48 -0.09 0.00 -1.27 0.00 0.00 60.65 58.81 3ccz h LYS 662 Cb 1.14 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3ccz h LYS 662 CO 0.12 1.14 -0.34 0.78 -2.27 0.00 0.00 179.45 178.87 3ccz h GLY 663 N 0.80 0.27 1.39 5.01 0.00 -1.45 -2.84 103.07 106.26 3ccz h GLY 663 Ca 0.07 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 3ccz h GLY 663 CO 0.09 0.21 -0.39 -0.84 0.00 0.00 0.00 176.54 175.61 3ccz h THR 664 N 0.22 1.29 -0.46 4.70 2.02 -1.11 -1.83 112.91 117.74 3ccz h THR 664 Ca 0.03 -1.56 -0.05 0.00 0.77 0.00 0.00 66.41 65.59 3ccz h THR 664 Cb 0.72 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 3ccz h THR 664 CO 0.05 0.50 0.08 -0.33 0.37 0.00 0.00 175.52 176.20 3ccz h GLU 665 N 0.55 0.76 -0.06 6.66 5.08 -1.26 -1.58 114.58 124.74 3ccz h GLU 665 Ca 0.05 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 3ccz h GLU 665 Cb 0.92 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3ccz h GLU 665 CO 0.08 0.77 -0.52 -0.22 -1.00 0.00 0.00 179.01 178.12 3ccz h LYS 666 N 0.62 0.15 -0.20 2.33 1.63 -1.47 -2.33 116.57 117.30 3ccz h LYS 666 Ca 0.14 -0.09 -0.20 0.00 -0.85 0.00 0.00 60.65 59.65 3ccz h LYS 666 Cb 0.37 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 3ccz h LYS 666 CO 0.01 0.64 -0.66 0.00 -3.45 0.00 0.00 179.45 175.98 3ccz h ALA 667 N 1.35 0.44 0.00 5.00 0.00 -1.15 -2.51 119.26 122.39 3ccz h ALA 667 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 3ccz h ALA 667 Cb 0.96 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3ccz h ALA 667 CO 0.08 0.69 -0.45 -0.07 0.00 0.00 0.00 179.25 179.49 3ccz h LEU 668 N 0.56 0.00 -0.43 0.00 3.38 -1.27 -2.06 115.31 115.49 3ccz h LEU 668 Ca -0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 3ccz h LEU 668 Cb 1.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 3ccz h LEU 668 CO 0.14 0.45 -0.52 -1.28 0.09 0.00 0.00 178.44 177.32 3ccz h SER 669 N 0.00 0.79 0.02 -0.43 0.87 -1.36 -1.60 113.55 111.84 3ccz h SER 669 Ca -0.00 -0.41 -0.15 0.00 -1.23 0.00 0.00 61.79 60.00 3ccz h SER 669 Cb 1.11 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 3ccz h SER 669 CO 0.06 1.17 -0.49 0.50 -0.53 0.00 0.00 176.83 177.54 3ccz h LYS 670 N 0.56 0.53 0.00 2.24 1.63 -1.35 -2.85 116.57 117.33 3ccz h LYS 670 Ca 0.02 -0.31 -0.08 0.00 -0.85 0.00 0.00 60.65 59.43 3ccz h LYS 670 Cb 1.09 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 3ccz h LYS 670 CO 0.11 0.90 -0.37 1.25 -3.45 0.00 0.00 179.45 177.89 3ccz h LEU 671 N 0.42 0.00 -1.08 5.20 5.85 -1.29 -2.83 115.31 121.58 3ccz h LEU 671 Ca 0.02 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 3ccz h LEU 671 Cb 1.01 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3ccz h LEU 671 CO 0.09 0.37 -0.42 -0.74 -0.34 0.00 0.00 178.44 177.40 3ccz h HIS 672 N 0.00 0.00 -0.53 1.25 2.76 -1.06 -1.85 115.15 115.72 3ccz h HIS 672 Ca -0.00 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 3ccz h HIS 672 Cb 0.71 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.65 3ccz h HIS 672 CO 0.00 0.42 -0.01 0.93 -1.30 0.00 0.00 177.93 177.97 3ccz h GLU 673 N 0.00 0.91 0.00 5.26 5.08 -1.38 -2.63 114.58 121.82 3ccz h GLU 673 Ca -0.00 -0.27 -0.17 0.00 -1.00 0.00 0.00 59.36 57.92 3ccz h GLU 673 Cb 0.82 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 3ccz h GLU 673 CO 0.05 0.91 -0.88 1.88 -1.00 0.00 0.00 179.01 179.97 3ccz h TYR 674 N 0.84 0.00 -2.76 4.33 -1.99 -1.59 -3.40 116.97 112.40 3ccz h TYR 674 Ca 0.15 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.28 3ccz h TYR 674 Cb 0.51 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 38.84 3ccz h TYR 674 CO 0.03 0.76 -0.79 -0.06 -0.00 0.00 0.00 178.16 178.10 3ccz s PHE 675 N -2.82 1.94 -0.34 4.88 0.40 -0.71 -4.99 117.98 116.34 3ccz s PHE 675 Ca 0.02 -2.54 0.26 0.00 -0.60 0.00 0.00 56.93 54.06 3ccz s PHE 675 Cb 0.09 -1.66 1.06 0.00 0.51 0.00 0.00 43.02 43.02 3ccz s PHE 675 CO 0.79 -0.74 1.78 -1.00 0.70 0.00 0.00 175.22 176.75 3ccz h PRO 676 N 6.04 0.00 -0.00 0.24 0.13 -1.71 -2.66 132.00 134.04 3ccz h PRO 676 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3ccz h PRO 676 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3ccz h PRO 676 CO 0.48 0.00 -0.11 0.39 -0.23 0.00 0.00 178.00 178.53 3ccz n GLU 677 N -2.47 0.61 -2.34 0.86 1.02 -1.26 -4.88 120.64 112.18 3ccz n GLU 677 Ca 0.02 -0.20 -0.40 0.00 -0.02 0.00 0.00 57.16 56.56 3ccz n GLU 677 Cb 0.26 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 3ccz n GLU 677 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3ccz s MET 678 N -2.52 4.43 -0.19 3.49 1.75 -1.00 -4.43 119.30 120.83 3ccz s MET 678 Ca 0.27 1.92 0.01 0.00 -1.25 0.00 0.00 55.69 56.64 3ccz s MET 678 Cb 0.20 -3.03 0.03 0.00 2.84 0.00 0.00 34.83 34.87 3ccz s MET 678 CO 0.48 -0.02 -0.16 -1.14 -0.65 0.00 0.00 175.02 173.54 3ccz s GLN 679 N -1.75 2.62 -0.71 4.11 0.74 -0.57 -4.96 119.66 119.14 3ccz s GLN 679 Ca 0.49 -0.85 -0.27 0.00 0.05 0.00 0.00 55.36 54.78 3ccz s GLN 679 Cb -0.34 -2.50 0.01 0.00 1.10 0.00 0.00 33.01 31.28 3ccz s GLN 679 CO 0.43 -0.30 1.53 0.42 -0.55 0.00 0.00 175.29 176.83 3ccz s ILE 680 N 1.32 3.58 0.07 -2.34 1.01 -1.26 -1.24 121.20 122.33 3ccz s ILE 680 Ca 0.02 0.25 -0.16 0.00 0.00 0.00 0.00 60.65 60.76 3ccz s ILE 680 Cb -0.14 -4.53 -0.15 0.00 0.01 0.00 0.00 42.46 37.65 3ccz s ILE 680 CO -0.11 -1.48 1.30 0.25 0.00 0.00 0.00 174.94 174.91 3ccz h LEU 681 N 14.47 0.70 -7.00 2.97 5.85 -1.82 -3.46 115.31 127.02 3ccz h LEU 681 Ca -0.24 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 57.88 3ccz h LEU 681 Cb 1.09 -0.20 -0.21 0.00 0.37 0.00 0.00 40.66 41.70 3ccz h LEU 681 CO 1.26 1.16 0.09 0.00 -0.34 0.00 0.00 178.44 180.61 3ccz s ALA 682 N -3.91 -1.80 0.30 1.25 0.00 -1.13 -5.03 121.76 111.44 3ccz s ALA 682 Ca -0.12 2.15 0.22 0.00 0.00 0.00 0.00 51.96 54.20 3ccz s ALA 682 Cb 0.07 -1.25 1.05 0.00 0.00 0.00 0.00 23.12 22.98 3ccz s ALA 682 CO 0.84 -0.35 1.91 0.28 0.00 0.00 0.00 175.76 178.43 3ccz h VAL 683 N 4.34 0.77 -3.82 0.00 2.07 -1.90 -1.95 116.25 115.77 3ccz h VAL 683 Ca -0.29 -0.99 -0.67 0.00 0.82 0.00 0.00 66.70 65.57 3ccz h VAL 683 Cb 1.18 1.61 -0.36 0.00 -1.52 0.00 0.00 31.29 32.20 3ccz h VAL 683 CO 0.09 0.24 -0.79 -0.55 0.02 0.00 0.00 177.57 176.58 3ccz s SER 684 N -6.38 4.45 -0.40 0.57 0.15 -1.26 -2.62 113.70 108.21 3ccz s SER 684 Ca -0.02 -1.35 0.06 0.00 0.70 0.00 0.00 55.95 55.35 3ccz s SER 684 Cb 0.12 -1.57 0.68 0.00 -1.71 0.00 0.00 66.02 63.54 3ccz s SER 684 CO 0.64 -0.19 1.85 0.61 1.20 0.00 0.00 173.24 177.35 3ccz n GLY 685 N 4.46 4.32 2.51 9.45 0.00 -0.14 -4.78 105.19 121.01 3ccz n GLY 685 Ca -0.14 -1.08 -0.18 0.00 0.00 0.00 0.00 46.02 44.62 3ccz n GLY 685 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ccz n ASN 686 N -0.89 -5.19 -1.15 1.61 4.13 -1.25 -4.82 115.26 107.70 3ccz n ASN 686 Ca 0.53 0.40 0.11 0.00 1.68 0.00 0.00 54.58 57.29 3ccz n ASN 686 Cb 1.55 -4.29 0.25 0.00 -1.54 0.00 0.00 39.78 35.75 3ccz n ASN 686 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ccz n TYR 687 N -2.63 0.71 0.15 3.10 9.36 -1.19 -4.65 117.16 122.02 3ccz n TYR 687 Ca -0.18 -0.40 -0.12 0.00 3.32 0.00 0.00 57.90 60.51 3ccz n TYR 687 Cb 0.60 -0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.23 3ccz n TYR 687 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3ccz s THR 689 N -4.21 4.57 -0.24 0.00 2.01 -1.26 -4.72 115.64 111.79 3ccz s THR 689 Ca -0.13 -0.13 -0.08 0.00 0.31 0.00 0.00 61.69 61.65 3ccz s THR 689 Cb 0.02 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 3ccz s THR 689 CO 0.48 0.56 0.10 -0.62 -0.69 0.00 0.00 174.62 174.45 3ccz s ASP 690 N -0.47 5.47 -1.73 3.53 2.15 -1.26 -4.61 116.67 119.74 3ccz s ASP 690 Ca 0.09 -0.09 0.00 0.00 0.43 0.00 0.00 52.55 52.98 3ccz s ASP 690 Cb -0.12 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 3ccz s ASP 690 CO 0.02 0.01 0.00 0.29 -0.17 0.00 0.00 175.17 175.32 3ccz n LYS 691 N 4.61 -1.19 -4.11 4.34 5.02 -1.26 -4.99 118.16 120.58 3ccz n LYS 691 Ca -0.16 1.05 -0.15 0.00 -2.02 0.00 0.00 58.31 57.04 3ccz n LYS 691 Cb 0.52 -5.29 -0.12 0.00 -0.02 0.00 0.00 35.03 30.12 3ccz n LYS 691 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3ccz s LYS 692 N -3.61 0.66 0.21 1.97 3.01 -1.26 -4.95 119.74 115.77 3ccz s LYS 692 Ca 0.00 -0.86 -0.31 0.00 -1.01 0.00 0.00 55.97 53.79 3ccz s LYS 692 Cb 0.00 -0.50 -0.10 0.00 -1.01 0.00 0.00 37.83 36.22 3ccz s LYS 692 CO 0.00 0.10 1.47 -1.25 0.51 0.00 0.00 175.35 176.18 3ccz s PRO 693 N -1.75 4.26 -0.26 -1.68 0.04 -1.26 -4.72 135.00 129.63 3ccz s PRO 693 Ca -0.06 2.29 -0.15 0.00 0.04 0.00 0.00 61.00 63.12 3ccz s PRO 693 Cb -0.09 -3.14 0.08 0.00 0.04 0.00 0.00 34.50 31.39 3ccz s PRO 693 CO 0.01 -0.47 0.64 0.00 0.04 0.00 0.00 177.00 177.22 3ccz s ALA 694 N 0.41 -1.71 0.48 8.56 0.00 -1.26 -5.03 121.76 123.21 3ccz s ALA 694 Ca 0.63 2.24 0.27 0.00 0.00 0.00 0.00 51.96 55.10 3ccz s ALA 694 Cb -0.42 -1.32 1.57 0.00 0.00 0.00 0.00 23.12 22.95 3ccz s ALA 694 CO 0.39 -0.36 2.14 0.00 0.00 0.00 0.00 175.76 177.93 3ccz h ALA 695 N 6.95 1.40 -0.51 0.00 0.00 -1.94 -2.60 119.26 122.56 3ccz h ALA 695 Ca -0.31 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 3ccz h ALA 695 Cb 1.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3ccz h ALA 695 CO 0.18 0.10 0.08 0.97 0.00 0.00 0.00 179.25 180.58 3ccz h ILE 696 N 0.00 1.23 -0.23 0.00 2.10 -1.98 -1.25 117.51 117.38 3ccz h ILE 696 Ca -0.00 -0.86 -0.12 0.00 1.08 0.00 0.00 64.86 64.95 3ccz h ILE 696 Cb 0.20 0.75 -0.01 0.00 -1.09 0.00 0.00 36.82 36.67 3ccz h ILE 696 CO 0.01 0.32 -0.37 0.78 -1.08 0.00 0.00 178.15 177.80 3ccz h ASN 697 N 0.76 0.54 -0.43 2.19 2.35 -1.76 -1.03 115.58 118.20 3ccz h ASN 697 Ca 0.16 -0.23 -0.12 0.00 -0.55 0.00 0.00 56.30 55.56 3ccz h ASN 697 Cb 0.34 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3ccz h ASN 697 CO 0.01 0.86 -0.19 -0.25 -1.65 0.00 0.00 177.43 176.21 3ccz h TRP 698 N 0.43 1.06 0.05 1.19 2.91 -1.41 -1.69 115.95 118.50 3ccz h TRP 698 Ca 0.04 -0.24 -0.31 0.00 1.13 0.00 0.00 58.89 59.51 3ccz h TRP 698 Cb 0.85 -0.25 -0.03 0.00 -0.51 0.00 0.00 29.16 29.21 3ccz h TRP 698 CO 0.03 1.04 -1.70 -0.89 -1.03 0.00 0.00 178.44 175.88 3ccz n ILE 699 N -4.12 1.64 0.09 2.65 5.41 -0.52 -4.40 119.36 120.10 3ccz n ILE 699 Ca 0.00 -0.34 0.08 0.00 1.00 0.00 0.00 62.75 63.49 3ccz n ILE 699 Cb 0.44 -1.88 -0.02 0.00 -0.71 0.00 0.00 39.64 37.47 3ccz n ILE 699 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3ccz h GLU 700 N -0.50 0.00 0.00 0.38 4.39 -1.34 -3.51 114.58 113.99 3ccz h GLU 700 Ca -0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.29 3ccz h GLU 700 Cb 1.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.31 3ccz h GLU 700 CO -0.09 0.10 0.00 0.41 -1.16 0.00 0.00 179.01 178.27 3ccz n GLY 701 N 1.25 -1.68 3.29 -3.84 0.00 -0.64 -5.03 105.19 98.54 3ccz n GLY 701 Ca -0.03 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 3ccz n GLY 701 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ccz s ARG 702 N -3.46 0.40 7.10 1.61 3.52 -1.13 -4.76 118.95 122.22 3ccz s ARG 702 Ca 0.00 0.84 0.00 0.00 -0.13 0.00 0.00 55.73 56.44 3ccz s ARG 702 Cb 0.00 0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 3ccz s ARG 702 CO 0.00 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.73 3ccz n GLY 703 N 4.39 2.06 3.62 8.12 0.00 -0.61 -3.46 105.19 119.30 3ccz n GLY 703 Ca -0.22 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 3ccz n GLY 703 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ccz s LYS 704 N 0.00 4.05 -0.11 1.61 -0.14 -0.27 -1.68 119.74 123.20 3ccz s LYS 704 Ca 0.00 0.10 -0.19 0.00 -1.36 0.00 0.00 55.97 54.52 3ccz s LYS 704 Cb 0.00 -3.64 -0.04 0.00 -1.68 0.00 0.00 37.83 32.47 3ccz s LYS 704 CO 0.00 -0.24 0.51 -1.12 -0.76 0.00 0.00 175.35 173.73 3ccz s SER 705 N 1.53 6.72 0.02 2.83 0.01 -0.70 -1.33 113.70 122.78 3ccz s SER 705 Ca 0.16 0.86 -0.00 0.00 1.31 0.00 0.00 55.95 58.28 3ccz s SER 705 Cb -0.16 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 3ccz s SER 705 CO 0.09 -0.02 -0.02 -0.69 0.41 0.00 0.00 173.24 173.01 3ccz s VAL 706 N 0.67 0.13 -0.01 3.43 1.01 -0.52 -0.51 120.40 124.60 3ccz s VAL 706 Ca 0.27 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3ccz s VAL 706 Cb -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.77 3ccz s VAL 706 CO 0.11 -0.57 -0.03 0.54 0.00 0.00 0.00 175.10 175.15 3ccz s VAL 707 N -1.84 0.25 0.30 2.92 0.11 -0.92 -0.90 120.40 120.31 3ccz s VAL 707 Ca -0.12 -0.09 0.08 0.00 -2.93 0.00 0.00 61.98 58.91 3ccz s VAL 707 Cb -0.07 -0.25 -0.06 0.00 -1.53 0.00 0.00 36.38 34.47 3ccz s VAL 707 CO -0.02 0.09 -0.08 0.00 -3.33 0.00 0.00 175.10 171.76 3ccz s GLU 709 N -3.67 1.24 0.14 0.00 -1.05 -0.68 -2.20 118.70 112.48 3ccz s GLU 709 Ca 0.30 -0.35 -0.24 0.00 -0.15 0.00 0.00 54.97 54.54 3ccz s GLU 709 Cb 0.03 0.57 0.07 0.00 -0.44 0.00 0.00 34.13 34.36 3ccz s GLU 709 CO 0.13 -0.52 0.65 0.00 0.95 0.00 0.00 175.26 176.47 3ccz s ALA 710 N -3.30 -1.62 -0.16 -0.84 0.00 -0.59 -1.87 121.76 113.37 3ccz s ALA 710 Ca -0.01 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.49 3ccz s ALA 710 Cb -0.01 0.82 0.02 0.00 0.00 0.00 0.00 23.12 23.96 3ccz s ALA 710 CO -0.09 -0.77 -0.17 0.08 0.00 0.00 0.00 175.76 174.81 3ccz s VAL 711 N -3.67 1.81 -0.33 0.00 1.01 -1.26 -1.46 120.40 116.51 3ccz s VAL 711 Ca 0.02 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 3ccz s VAL 711 Cb -0.01 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3ccz s VAL 711 CO -0.12 0.50 0.22 -0.63 0.00 0.00 0.00 175.10 175.07 3ccz s ILE 712 N 1.37 5.13 0.64 2.22 -1.09 -0.58 -4.56 121.20 124.33 3ccz s ILE 712 Ca 0.04 -0.24 -0.17 0.00 -2.23 0.00 0.00 60.65 58.05 3ccz s ILE 712 Cb -0.13 -3.62 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 3ccz s ILE 712 CO -0.11 0.02 0.72 -2.65 -1.23 0.00 0.00 174.94 171.69 3ccz n PRO 713 N 5.08 0.57 -0.32 2.79 -0.02 -1.26 -1.57 135.00 140.27 3ccz n PRO 713 Ca -0.13 0.23 0.02 0.00 -2.02 0.00 0.00 63.50 61.61 3ccz n PRO 713 Cb 0.50 -1.95 0.21 0.00 -0.02 0.00 0.00 33.50 32.24 3ccz n PRO 713 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ccz h ALA 714 N 0.09 1.45 -0.78 3.55 0.00 -1.94 -1.49 119.26 120.15 3ccz h ALA 714 Ca -0.47 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 3ccz h ALA 714 Cb 1.37 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 3ccz h ALA 714 CO 0.47 0.43 0.35 -0.22 0.00 0.00 0.00 179.25 180.29 3ccz h LYS 715 N 1.10 1.13 -0.11 0.00 3.64 -1.91 -2.39 116.57 118.03 3ccz h LYS 715 Ca 0.38 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 3ccz h LYS 715 Cb 0.10 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3ccz h LYS 715 CO -0.13 0.89 -0.47 0.28 -2.27 0.00 0.00 179.45 177.75 3ccz h VAL 716 N 1.12 1.33 -0.25 2.00 2.07 -1.64 -2.01 116.25 118.87 3ccz h VAL 716 Ca 0.27 -1.66 -0.11 0.00 0.82 0.00 0.00 66.70 66.01 3ccz h VAL 716 Cb 0.15 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3ccz h VAL 716 CO -0.03 0.50 -0.32 0.58 0.02 0.00 0.00 177.57 178.31 3ccz h VAL 717 N 0.22 1.28 0.00 2.57 2.07 -1.09 -2.25 116.25 119.06 3ccz h VAL 717 Ca 0.01 -1.42 -0.10 0.00 0.82 0.00 0.00 66.70 66.02 3ccz h VAL 717 Cb 0.91 1.45 0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3ccz h VAL 717 CO 0.07 0.45 -0.39 -0.09 0.02 0.00 0.00 177.57 177.64 3ccz h ARG 718 N 0.45 0.26 0.13 1.57 2.43 -1.27 -2.49 114.38 115.46 3ccz h ARG 718 Ca 0.05 -0.28 -0.32 0.00 -0.81 0.00 0.00 59.98 58.62 3ccz h ARG 718 Cb 0.78 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 3ccz h ARG 718 CO 0.06 1.00 -1.68 0.93 -1.51 0.00 0.00 179.97 178.77 3ccz h GLU 719 N -0.37 0.28 0.00 0.20 5.08 -1.43 -2.89 114.58 115.44 3ccz h GLU 719 Ca -0.05 -0.48 -0.08 0.00 -1.00 0.00 0.00 59.36 57.75 3ccz h GLU 719 Cb 1.14 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3ccz h GLU 719 CO 0.08 1.23 -0.49 0.28 -1.00 0.00 0.00 179.01 179.11 3ccz h VAL 720 N -0.12 1.25 -0.01 3.13 2.07 -1.61 -3.39 116.25 117.56 3ccz h VAL 720 Ca -0.36 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.05 3ccz h VAL 720 Cb 1.91 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 34.21 3ccz h VAL 720 CO 0.08 0.42 -0.28 0.18 0.02 0.00 0.00 177.57 178.00 3ccz n LEU 721 N -4.56 1.06 -3.73 2.57 4.77 -1.15 -4.97 117.00 110.99 3ccz n LEU 721 Ca -0.17 -0.28 -0.26 0.00 -0.03 0.00 0.00 56.01 55.26 3ccz n LEU 721 Cb 0.51 -0.12 0.06 0.00 -2.33 0.00 0.00 43.42 41.53 3ccz n LEU 721 CO 0.25 0.20 0.18 0.29 -1.33 0.00 0.00 177.39 176.98 3ccz n LYS 722 N -0.65 -6.87 -0.99 3.23 4.76 -0.97 -4.69 118.16 111.99 3ccz n LYS 722 Ca 0.12 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.29 3ccz n LYS 722 Cb 0.35 -5.71 0.00 0.00 -1.84 0.00 0.00 35.03 27.84 3ccz n LYS 722 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 3ccz n THR 723 N -4.84 0.00 -4.50 -0.18 5.66 -1.03 -4.71 114.28 104.67 3ccz n THR 723 Ca 0.01 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.77 3ccz n THR 723 Cb 0.55 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.23 3ccz n THR 723 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3ccz s THR 724 N -2.71 1.92 0.20 1.09 -4.23 -1.26 -3.37 115.64 107.28 3ccz s THR 724 Ca 0.00 -2.14 -0.06 0.00 -1.18 0.00 0.00 61.69 58.31 3ccz s THR 724 Cb 0.00 -2.62 0.04 0.00 1.34 0.00 0.00 72.50 71.25 3ccz s THR 724 CO 0.00 -0.20 1.62 0.74 -0.54 0.00 0.00 174.62 176.23 3ccz h THR 725 N 2.10 1.27 -0.67 3.99 2.02 -1.92 -2.33 112.91 117.36 3ccz h THR 725 Ca -0.41 -1.31 -0.06 0.00 0.77 0.00 0.00 66.41 65.40 3ccz h THR 725 Cb 1.24 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 3ccz h THR 725 CO 0.70 0.45 0.19 -0.08 0.37 0.00 0.00 175.52 177.15 3ccz h GLU 726 N 0.76 1.06 -0.17 6.66 4.81 -1.94 -2.28 114.58 123.48 3ccz h GLU 726 Ca 0.11 -0.24 -0.14 0.00 -0.13 0.00 0.00 59.36 58.96 3ccz h GLU 726 Cb 0.72 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3ccz h GLU 726 CO 0.06 0.93 -0.48 0.00 -0.73 0.00 0.00 179.01 178.78 3ccz h ALA 727 N 1.08 0.85 -0.46 2.92 0.00 -1.96 -2.68 119.26 119.01 3ccz h ALA 727 Ca 0.21 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 3ccz h ALA 727 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ccz h ALA 727 CO -0.00 0.66 -0.26 0.52 0.00 0.00 0.00 179.25 180.17 3ccz h MET 728 N 0.36 0.99 -0.32 0.00 2.86 -1.24 -2.49 114.93 115.09 3ccz h MET 728 Ca 0.02 -0.45 -0.14 0.00 -2.06 0.00 0.00 59.70 57.07 3ccz h MET 728 Cb 0.98 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 3ccz h MET 728 CO 0.09 1.12 -0.38 0.82 1.06 0.00 0.00 176.91 179.62 3ccz h ILE 729 N 0.84 1.29 -0.38 -1.22 2.04 -1.40 -1.76 117.51 116.91 3ccz h ILE 729 Ca 0.10 -1.55 -0.12 0.00 1.00 0.00 0.00 64.86 64.29 3ccz h ILE 729 Cb 0.85 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 3ccz h ILE 729 CO 0.08 0.50 -0.26 -0.08 0.00 0.00 0.00 178.15 178.39 3ccz h GLU 730 N 0.61 0.78 -0.24 2.37 4.57 -1.42 -1.48 114.58 119.78 3ccz h GLU 730 Ca 0.05 -0.33 -0.18 0.00 -1.18 0.00 0.00 59.36 57.73 3ccz h GLU 730 Cb 0.92 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.48 3ccz h GLU 730 CO 0.08 0.95 -0.56 0.28 -1.18 0.00 0.00 179.01 178.58 3ccz h VAL 731 N 0.67 1.29 -0.56 0.32 2.07 -1.41 -2.76 116.25 115.87 3ccz h VAL 731 Ca 0.09 -1.78 -0.09 0.00 0.82 0.00 0.00 66.70 65.74 3ccz h VAL 731 Cb 0.78 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 3ccz h VAL 731 CO 0.06 0.57 0.01 -1.13 0.02 0.00 0.00 177.57 177.10 3ccz h ASN 732 N 0.56 0.97 -0.20 0.57 -1.24 -1.10 0.30 115.58 115.44 3ccz h ASN 732 Ca 0.01 -0.30 -0.02 0.00 0.71 0.00 0.00 56.30 56.70 3ccz h ASN 732 Cb 1.15 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.93 3ccz h ASN 732 CO 0.12 1.03 0.06 0.40 -1.29 0.00 0.00 177.43 177.75 3ccz h ILE 733 N 0.88 1.20 -0.00 2.57 2.04 -1.32 -1.94 117.51 120.93 3ccz h ILE 733 Ca 0.16 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3ccz h ILE 733 Cb 0.53 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3ccz h ILE 733 CO 0.03 0.20 -0.49 0.59 0.00 0.00 0.00 178.15 178.47 3ccz n ASN 734 N -4.78 0.57 -0.02 1.72 3.02 -1.04 -0.99 115.26 113.73 3ccz n ASN 734 Ca -0.04 -0.34 -0.03 0.00 -0.03 0.00 0.00 54.58 54.14 3ccz n ASN 734 Cb 0.16 0.26 -0.01 0.00 -0.61 0.00 0.00 39.78 39.58 3ccz n ASN 734 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3ccz n LYS 735 N -1.42 0.18 0.19 3.52 4.81 0.08 -2.28 118.16 123.26 3ccz n LYS 735 Ca 0.06 0.07 0.06 0.00 -0.87 0.00 0.00 58.31 57.64 3ccz n LYS 735 Cb 0.34 -0.74 0.36 0.00 0.02 0.00 0.00 35.03 35.01 3ccz n LYS 735 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3ccz h ASN 736 N -0.34 0.00 0.00 3.14 2.35 -1.48 -1.99 115.58 117.26 3ccz h ASN 736 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ccz h ASN 736 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3ccz h ASN 736 CO 0.00 0.35 -0.37 0.18 -1.65 0.00 0.00 177.43 175.94 3ccz n LEU 737 N -3.52 0.79 -0.10 1.61 4.77 -1.08 -4.17 117.00 115.29 3ccz n LEU 737 Ca -0.00 0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 3ccz n LEU 737 Cb 0.49 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 3ccz n LEU 737 CO 0.36 -0.43 0.59 0.58 -1.33 0.00 0.00 177.39 177.16 3ccz h VAL 738 N -0.37 1.30 -0.06 4.08 2.07 -1.25 -1.41 116.25 120.61 3ccz h VAL 738 Ca 0.00 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3ccz h VAL 738 Cb 0.37 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3ccz h VAL 738 CO 0.00 0.46 0.04 1.23 0.02 0.00 0.00 177.57 179.32 3ccz h GLY 739 N 0.47 0.09 1.78 2.17 0.00 -1.06 -0.84 103.07 105.68 3ccz h GLY 739 Ca 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 3ccz h GLY 739 CO 0.07 0.03 -0.10 1.76 0.00 0.00 0.00 176.54 178.30 3ccz h SER 740 N 0.07 0.26 -0.41 0.19 0.02 -1.37 -2.20 113.55 110.11 3ccz h SER 740 Ca 0.02 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 3ccz h SER 740 Cb 0.00 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3ccz h SER 740 CO -0.00 0.40 0.07 0.00 -1.14 0.00 0.00 176.83 176.16 3ccz h ALA 741 N 1.64 0.55 0.00 3.77 0.00 -0.76 -1.91 119.26 122.55 3ccz h ALA 741 Ca 0.06 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3ccz h ALA 741 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ccz h ALA 741 CO 0.02 0.26 -0.32 0.52 0.00 0.00 0.00 179.25 179.72 3ccz h MET 742 N 0.54 0.00 0.00 0.00 2.86 -0.81 -2.53 114.93 114.99 3ccz h MET 742 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3ccz h MET 742 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3ccz h MET 742 CO 0.01 0.32 0.00 0.00 1.06 0.00 0.00 176.91 178.30 3ccz n ALA 743 N -2.47 2.30 -2.48 6.32 0.00 -0.86 -4.93 120.51 118.39 3ccz n ALA 743 Ca -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 3ccz n ALA 743 Cb 0.37 -1.46 0.01 0.00 0.00 0.00 0.00 19.45 18.37 3ccz n ALA 743 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ccz n GLY 744 N 1.42 0.56 3.83 0.00 0.00 -0.95 -5.03 105.19 105.01 3ccz n GLY 744 Ca 0.07 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 3ccz n GLY 744 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ccz s SER 745 N -3.11 6.95 -0.29 1.61 0.15 -0.75 -5.06 113.70 113.20 3ccz s SER 745 Ca 0.05 1.17 0.03 0.00 0.70 0.00 0.00 55.95 57.90 3ccz s SER 745 Cb -0.02 -2.32 0.07 0.00 -1.71 0.00 0.00 66.02 62.03 3ccz s SER 745 CO 0.11 0.20 -0.05 -0.63 1.20 0.00 0.00 173.24 174.07 3ccz s ILE 746 N -1.27 2.27 0.00 6.45 -1.09 -1.26 -4.72 121.20 121.59 3ccz s ILE 746 Ca 0.33 -1.84 0.00 0.00 -2.23 0.00 0.00 60.65 56.91 3ccz s ILE 746 Cb -0.17 -2.44 0.00 0.00 -1.58 0.00 0.00 42.46 38.26 3ccz s ILE 746 CO 0.19 -0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.29 3ccz n GLY 747 N 4.39 0.78 2.54 6.18 0.00 -1.26 -4.93 105.19 112.89 3ccz n GLY 747 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 3ccz n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ccz n GLY 748 N -2.17 5.85 2.60 -0.02 0.00 -1.26 -1.69 105.19 108.50 3ccz n GLY 748 Ca 0.00 -2.54 -0.36 0.00 0.00 0.00 0.00 46.02 43.12 3ccz n GLY 748 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ccz n TYR 749 N -0.64 2.41 -4.03 1.61 4.02 -0.88 -4.83 117.16 114.82 3ccz n TYR 749 Ca 0.51 -2.41 -0.11 0.00 -0.01 0.00 0.00 57.90 55.88 3ccz n TYR 749 Cb 0.54 -1.44 -0.05 0.00 -0.02 0.00 0.00 39.34 38.38 3ccz n TYR 749 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3ccz s ASN 750 N -0.28 0.28 -0.13 7.72 2.20 -1.23 -1.29 114.94 122.21 3ccz s ASN 750 Ca 0.52 -1.17 -0.07 0.00 -0.94 0.00 0.00 52.86 51.20 3ccz s ASN 750 Cb 0.29 0.62 -0.04 0.00 -2.00 0.00 0.00 41.25 40.13 3ccz s ASN 750 CO -0.20 -1.22 -0.05 0.00 -2.94 0.00 0.00 177.10 172.69 3ccz h ALA 751 N 2.21 0.01 -0.08 3.54 0.00 -1.93 -3.46 119.26 119.55 3ccz h ALA 751 Ca -0.28 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.06 3ccz h ALA 751 Cb 1.25 0.30 -0.18 0.00 0.00 0.00 0.00 17.79 19.16 3ccz h ALA 751 CO 0.38 0.30 -0.41 -2.39 0.00 0.00 0.00 179.25 177.13 3ccz n HIS 752 N -4.67 -2.01 -0.23 0.00 1.44 -1.26 -4.96 115.22 103.53 3ccz n HIS 752 Ca -0.06 -1.94 0.15 0.00 -2.01 0.00 0.00 57.72 53.86 3ccz n HIS 752 Cb 0.19 1.40 0.45 0.00 0.12 0.00 0.00 29.99 32.15 3ccz n HIS 752 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3ccz h ALA 753 N 1.83 2.00 0.00 1.59 0.00 -1.89 -1.84 119.26 120.95 3ccz h ALA 753 Ca -0.31 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3ccz h ALA 753 Cb 1.29 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ccz h ALA 753 CO -0.05 -0.24 -0.16 0.00 0.00 0.00 0.00 179.25 178.79 3ccz h ALA 754 N 1.62 1.73 -0.41 0.00 0.00 -1.93 -1.31 119.26 118.95 3ccz h ALA 754 Ca 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3ccz h ALA 754 Cb 0.87 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3ccz h ALA 754 CO -0.18 0.20 0.16 -0.91 0.00 0.00 0.00 179.25 178.53 3ccz h ASN 755 N 0.00 0.57 -0.07 0.00 2.35 -1.74 -1.92 115.58 114.77 3ccz h ASN 755 Ca -0.00 -0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 55.47 3ccz h ASN 755 Cb 0.28 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.51 3ccz h ASN 755 CO 0.02 0.58 -0.39 0.40 -1.65 0.00 0.00 177.43 176.40 3ccz h ILE 756 N 0.52 1.42 -0.32 2.81 5.03 -1.51 -2.67 117.51 122.79 3ccz h ILE 756 Ca 0.14 -1.80 0.02 0.00 -0.12 0.00 0.00 64.86 63.10 3ccz h ILE 756 Cb 0.19 2.35 -0.02 0.00 -3.03 0.00 0.00 36.82 36.31 3ccz h ILE 756 CO -0.01 0.52 0.17 0.58 -0.68 0.00 0.00 178.15 178.73 3ccz h VAL 757 N -0.11 1.01 -0.73 1.67 2.07 -1.31 -1.47 116.25 117.39 3ccz h VAL 757 Ca -0.03 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 3ccz h VAL 757 Cb 1.05 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3ccz h VAL 757 CO 0.08 0.06 0.25 0.74 0.02 0.00 0.00 177.57 178.73 3ccz h THR 758 N 0.36 1.26 -0.31 2.57 2.02 -1.42 -0.67 112.91 116.72 3ccz h THR 758 Ca 0.13 -0.86 -0.06 0.00 0.77 0.00 0.00 66.41 66.39 3ccz h THR 758 Cb 0.02 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3ccz h THR 758 CO -0.08 0.34 -0.06 0.00 0.37 0.00 0.00 175.52 176.10 3ccz h ALA 759 N 1.12 0.42 -0.30 6.16 0.00 -1.16 -2.06 119.26 123.46 3ccz h ALA 759 Ca 0.24 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3ccz h ALA 759 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ccz h ALA 759 CO -0.01 0.23 -0.35 0.82 0.00 0.00 0.00 179.25 179.95 3ccz h ILE 760 N 0.36 1.29 -0.36 0.00 2.04 -1.21 -0.83 117.51 118.80 3ccz h ILE 760 Ca 0.08 -1.49 -0.04 0.00 1.00 0.00 0.00 64.86 64.41 3ccz h ILE 760 Cb 0.53 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 3ccz h ILE 760 CO 0.03 0.48 0.07 1.88 0.00 0.00 0.00 178.15 180.60 3ccz h TYR 761 N 0.55 0.63 -0.53 1.37 -1.99 -0.97 -0.99 116.97 115.04 3ccz h TYR 761 Ca 0.06 -0.08 -0.10 0.00 2.00 0.00 0.00 58.73 60.60 3ccz h TYR 761 Cb 0.85 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 39.39 3ccz h TYR 761 CO 0.04 0.64 -0.08 0.82 -0.00 0.00 0.00 178.16 179.57 3ccz h ILE 762 N 0.44 1.26 -0.15 -2.88 2.04 -1.40 0.16 117.51 116.98 3ccz h ILE 762 Ca 0.11 -1.21 -0.10 0.00 1.00 0.00 0.00 64.86 64.65 3ccz h ILE 762 Cb 0.34 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3ccz h ILE 762 CO 0.01 0.43 -0.36 0.00 0.00 0.00 0.00 178.15 178.22 3ccz h ALA 763 N 1.03 1.11 -0.42 1.87 0.00 -1.30 -3.27 119.26 118.28 3ccz h ALA 763 Ca 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3ccz h ALA 763 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3ccz h ALA 763 CO 0.04 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.86 3ccz n GLY 765 N 0.29 0.57 3.91 0.00 0.00 -0.94 -4.58 105.19 104.44 3ccz n GLY 765 Ca 0.21 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 3ccz n GLY 765 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ccz s GLN 766 N -3.48 1.88 -0.63 1.61 -1.52 0.00 -2.85 119.66 114.68 3ccz s GLN 766 Ca 0.00 -0.05 -0.27 0.00 -1.95 0.00 0.00 55.36 53.09 3ccz s GLN 766 Cb 0.00 -2.00 0.03 0.00 -0.22 0.00 0.00 33.01 30.82 3ccz s GLN 766 CO 0.00 -1.59 1.18 0.34 -0.25 0.00 0.00 175.29 174.97 3ccz s ASP 767 N -4.60 6.33 0.52 5.90 -1.08 -1.26 -4.71 116.67 117.77 3ccz s ASP 767 Ca 0.63 -0.18 0.28 0.00 -0.52 0.00 0.00 52.55 52.76 3ccz s ASP 767 Cb -0.10 -2.54 1.42 0.00 -1.46 0.00 0.00 42.92 40.25 3ccz s ASP 767 CO 0.48 -1.57 2.04 0.00 0.52 0.00 0.00 175.17 176.65 3ccz h ALA 768 N 9.68 1.20 0.00 3.66 0.00 -1.95 -2.11 119.26 129.74 3ccz h ALA 768 Ca -0.26 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3ccz h ALA 768 Cb 1.06 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3ccz h ALA 768 CO 1.21 0.15 -0.14 0.00 0.00 0.00 0.00 179.25 180.47 3ccz h ALA 769 N 1.88 1.15 0.00 0.00 0.00 -2.01 -2.34 119.26 117.94 3ccz h ALA 769 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ccz h ALA 769 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ccz h ALA 769 CO 0.02 0.17 0.00 1.04 0.00 0.00 0.00 179.25 180.48 3ccz n GLN 770 N -3.46 0.83 0.25 0.00 6.02 -0.79 -3.21 117.38 117.02 3ccz n GLN 770 Ca -0.01 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.15 3ccz n GLN 770 Cb 0.30 -1.33 0.89 0.00 1.02 0.00 0.00 30.24 31.11 3ccz n GLN 770 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 3ccz h ASN 771 N 0.00 0.00 0.42 1.08 -0.00 -1.58 -0.95 115.58 114.56 3ccz h ASN 771 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.29 3ccz h ASN 771 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 3ccz h ASN 771 CO 0.00 0.00 -0.29 0.58 -0.00 0.00 0.00 177.43 177.72 3ccz h VAL 772 N 0.00 0.40 0.02 6.14 2.07 -1.81 -2.83 116.25 120.24 3ccz h VAL 772 Ca 0.00 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.22 3ccz h VAL 772 Cb 0.08 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 3ccz h VAL 772 CO 0.00 0.00 -1.72 1.23 0.02 0.00 0.00 177.57 177.10 3ccz h GLY 773 N -0.70 0.06 2.00 2.17 0.00 -1.82 -3.38 103.07 101.39 3ccz h GLY 773 Ca -0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3ccz h GLY 773 CO 0.02 0.13 -0.20 1.76 0.00 0.00 0.00 176.54 178.25 3ccz h SER 774 N 0.01 0.00 0.29 0.19 0.02 -1.16 -2.53 113.55 110.37 3ccz h SER 774 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3ccz h SER 774 Cb 2.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.55 3ccz h SER 774 CO 0.09 0.20 -0.07 -1.54 -1.14 0.00 0.00 176.83 174.36 3ccz n SER 775 N -3.83 0.44 -4.64 3.07 3.41 -1.07 -4.39 113.62 106.62 3ccz n SER 775 Ca -0.02 -0.68 -0.52 0.00 -0.26 0.00 0.00 58.87 57.40 3ccz n SER 775 Cb 0.30 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 3ccz n SER 775 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ccz n ASN 776 N -0.89 2.25 -3.64 4.04 3.02 -0.95 -4.56 115.26 114.53 3ccz n ASN 776 Ca 0.16 1.09 -0.10 0.00 -0.03 0.00 0.00 54.58 55.71 3ccz n ASN 776 Cb 0.25 -1.24 -0.07 0.00 -0.61 0.00 0.00 39.78 38.11 3ccz n ASN 776 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ccz s ILE 778 N 0.68 2.56 -0.23 0.00 2.07 -0.80 -2.08 121.20 123.40 3ccz s ILE 778 Ca -0.02 -0.79 -0.08 0.00 -1.41 0.00 0.00 60.65 58.35 3ccz s ILE 778 Cb -0.05 -2.09 -0.04 0.00 0.13 0.00 0.00 42.46 40.42 3ccz s ILE 778 CO -0.07 0.51 0.09 -0.89 -1.91 0.00 0.00 174.94 172.66 3ccz s THR 779 N 1.03 4.67 0.10 4.00 2.01 -0.41 -1.97 115.64 125.07 3ccz s THR 779 Ca -0.01 -0.06 0.10 0.00 0.31 0.00 0.00 61.69 62.02 3ccz s THR 779 Cb -0.15 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 3ccz s THR 779 CO -0.04 0.38 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.27 3ccz s LEU 780 N 1.11 2.44 -0.06 4.42 1.43 -0.49 -4.89 118.68 122.64 3ccz s LEU 780 Ca 0.05 -0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 52.49 3ccz s LEU 780 Cb -0.14 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.74 3ccz s LEU 780 CO 0.04 0.21 0.16 -0.04 0.23 0.00 0.00 176.35 176.94 3ccz s MET 781 N -1.84 0.15 0.23 1.70 -1.94 -1.26 -1.85 119.30 114.49 3ccz s MET 781 Ca 0.15 0.30 -0.10 0.00 -1.71 0.00 0.00 55.69 54.33 3ccz s MET 781 Cb -0.10 -0.04 -0.01 0.00 2.01 0.00 0.00 34.83 36.69 3ccz s MET 781 CO 0.06 -0.09 0.40 -1.83 -0.01 0.00 0.00 175.02 173.55 3ccz s GLU 782 N 0.61 1.45 0.49 2.03 -1.05 -0.86 -4.89 118.70 116.48 3ccz s GLU 782 Ca -0.04 -1.32 -0.19 0.00 -0.15 0.00 0.00 54.97 53.28 3ccz s GLU 782 Cb -0.06 0.43 -0.09 0.00 -0.44 0.00 0.00 34.13 33.97 3ccz s GLU 782 CO -0.03 -0.58 0.98 0.00 0.95 0.00 0.00 175.26 176.59 3ccz s ALA 783 N -4.04 3.01 0.30 -0.84 0.00 -1.26 -1.44 121.76 117.49 3ccz s ALA 783 Ca 0.25 0.33 -0.13 0.00 0.00 0.00 0.00 51.96 52.42 3ccz s ALA 783 Cb 0.01 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.99 3ccz s ALA 783 CO 0.09 -0.16 0.58 0.45 0.00 0.00 0.00 175.76 176.72 3ccz s SER 784 N -2.59 0.11 0.00 0.00 0.15 0.09 -4.77 113.70 106.69 3ccz s SER 784 Ca 0.61 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 56.23 3ccz s SER 784 Cb -0.11 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 3ccz s SER 784 CO 0.24 -1.32 0.00 0.61 1.20 0.00 0.00 173.24 173.97 3ccz n GLY 785 N -0.46 -2.61 0.26 9.45 0.00 -1.26 -2.24 105.19 108.32 3ccz n GLY 785 Ca -0.03 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 3ccz n GLY 785 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ccz h PRO 786 N 0.00 0.89 -0.20 1.61 0.13 -2.01 -3.14 132.00 129.28 3ccz h PRO 786 Ca 0.00 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3ccz h PRO 786 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 3ccz h PRO 786 CO 0.00 1.15 0.00 0.25 -0.23 0.00 0.00 178.00 179.17 3ccz n THR 787 N -4.03 0.24 -2.59 1.56 -2.24 -1.26 -4.96 114.28 101.00 3ccz n THR 787 Ca -0.03 -0.49 -0.17 0.00 -2.27 0.00 0.00 64.05 61.09 3ccz n THR 787 Cb 0.58 0.77 0.01 0.00 -2.10 0.00 0.00 70.33 69.59 3ccz n THR 787 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ccz n ASN 788 N 0.85 -5.13 -0.00 3.42 5.15 -1.19 -4.90 115.26 113.46 3ccz n ASN 788 Ca 0.17 -0.12 0.04 0.00 -0.60 0.00 0.00 54.58 54.07 3ccz n ASN 788 Cb 0.47 -4.10 -0.05 0.00 -0.53 0.00 0.00 39.78 35.57 3ccz n ASN 788 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ccz n GLU 789 N -3.01 4.28 -3.23 1.20 1.02 -1.12 -4.47 120.64 115.30 3ccz n GLU 789 Ca -0.15 -0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.67 3ccz n GLU 789 Cb 0.63 -0.88 -0.06 0.00 -0.02 0.00 0.00 31.44 31.10 3ccz n GLU 789 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ccz s ASP 790 N -1.78 6.74 -0.48 1.62 1.01 -0.95 -4.18 116.67 118.65 3ccz s ASP 790 Ca 0.03 1.17 -0.13 0.00 0.71 0.00 0.00 52.55 54.32 3ccz s ASP 790 Cb 0.06 -2.33 0.09 0.00 1.01 0.00 0.00 42.92 41.76 3ccz s ASP 790 CO 0.33 -0.15 0.38 -0.22 0.21 0.00 0.00 175.17 175.72 3ccz s LEU 791 N -2.88 5.65 0.10 1.23 2.96 -0.61 -0.73 118.68 124.40 3ccz s LEU 791 Ca 0.51 -1.54 -0.30 0.00 -0.22 0.00 0.00 54.13 52.58 3ccz s LEU 791 Cb -0.11 -2.13 -0.06 0.00 0.50 0.00 0.00 46.19 44.40 3ccz s LEU 791 CO 0.19 -0.68 1.12 -0.47 -1.32 0.00 0.00 176.35 175.19 3ccz s TYR 792 N 1.55 3.54 0.02 5.38 5.04 -0.52 -1.52 117.35 130.84 3ccz s TYR 792 Ca 0.04 1.49 0.02 0.00 -2.44 0.00 0.00 57.07 56.18 3ccz s TYR 792 Cb -0.25 -3.31 -0.01 0.00 0.35 0.00 0.00 41.96 38.73 3ccz s TYR 792 CO 0.04 -0.79 -0.08 -1.50 -1.34 0.00 0.00 175.55 171.89 3ccz s ILE 793 N 0.51 0.57 -0.00 3.14 2.07 -0.53 -2.02 121.20 124.94 3ccz s ILE 793 Ca 0.54 -0.69 -0.02 0.00 -1.41 0.00 0.00 60.65 59.07 3ccz s ILE 793 Cb -0.28 -0.56 -0.00 0.00 0.13 0.00 0.00 42.46 41.75 3ccz s ILE 793 CO 0.31 -0.10 0.05 -0.94 -1.91 0.00 0.00 174.94 172.35 3ccz s SER 794 N -0.86 0.06 -0.04 4.50 1.04 -0.77 -1.54 113.70 116.09 3ccz s SER 794 Ca -0.03 -0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.29 3ccz s SER 794 Cb -0.06 0.13 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 3ccz s SER 794 CO 0.00 -0.20 -0.21 0.00 0.98 0.00 0.00 173.24 173.81 3ccz s THR 796 N -0.16 1.61 -0.39 0.00 2.01 -0.83 -1.27 115.64 116.60 3ccz s THR 796 Ca -0.01 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.34 3ccz s THR 796 Cb -0.12 -1.49 0.12 0.00 0.01 0.00 0.00 72.50 71.02 3ccz s THR 796 CO 0.02 0.46 0.16 -0.04 -0.69 0.00 0.00 174.62 174.53 3ccz s MET 797 N 1.33 1.26 0.00 4.92 -1.94 -0.08 -1.90 119.30 122.89 3ccz s MET 797 Ca 0.02 -1.80 0.22 0.00 -1.71 0.00 0.00 55.69 52.42 3ccz s MET 797 Cb -0.13 -2.56 1.01 0.00 2.01 0.00 0.00 34.83 35.15 3ccz s MET 797 CO -0.08 -1.06 1.72 -0.35 -0.01 0.00 0.00 175.02 175.24 3ccz n PRO 798 N 4.01 0.11 -2.71 2.03 -0.04 -1.26 -1.43 135.00 135.70 3ccz n PRO 798 Ca 0.04 0.10 -0.09 0.00 -0.04 0.00 0.00 63.50 63.51 3ccz n PRO 798 Cb 0.38 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.39 3ccz n PRO 798 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ccz n SER 799 N -1.43 0.50 -4.59 3.54 3.41 -1.23 -2.86 113.62 110.96 3ccz n SER 799 Ca 0.07 -2.70 -0.42 0.00 -0.26 0.00 0.00 58.87 55.55 3ccz n SER 799 Cb 0.23 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 3ccz n SER 799 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ccz s ILE 800 N -2.19 3.88 -0.41 -1.33 1.01 -0.44 -3.32 121.20 118.39 3ccz s ILE 800 Ca 0.27 0.82 -0.21 0.00 0.00 0.00 0.00 60.65 61.53 3ccz s ILE 800 Cb 0.43 -4.39 0.02 0.00 0.01 0.00 0.00 42.46 38.53 3ccz s ILE 800 CO -0.00 -1.02 0.65 -1.61 0.00 0.00 0.00 174.94 172.96 3ccz s GLU 801 N 5.19 3.41 0.07 2.79 2.02 -1.26 -1.11 118.70 129.81 3ccz s GLU 801 Ca 0.54 -0.23 -0.20 0.00 0.02 0.00 0.00 54.97 55.10 3ccz s GLU 801 Cb -0.11 -3.91 0.05 0.00 0.10 0.00 0.00 34.13 30.26 3ccz s GLU 801 CO 0.28 -0.94 0.49 -1.50 0.02 0.00 0.00 175.26 173.61 3ccz s ILE 802 N 2.83 0.04 0.08 -1.63 2.07 -1.26 -4.90 121.20 118.42 3ccz s ILE 802 Ca 0.24 -0.32 -0.26 0.00 -1.41 0.00 0.00 60.65 58.90 3ccz s ILE 802 Cb -0.14 -1.01 0.08 0.00 0.13 0.00 0.00 42.46 41.53 3ccz s ILE 802 CO 0.18 -0.18 0.73 -0.83 -1.91 0.00 0.00 174.94 172.93 3ccz s GLY 803 N -2.20 -0.55 0.00 1.50 0.00 -1.26 -3.75 107.32 101.06 3ccz s GLY 803 Ca -0.03 0.77 0.02 0.00 0.00 0.00 0.00 44.72 45.48 3ccz s GLY 803 CO -0.05 0.28 0.92 -1.30 0.00 0.00 0.00 173.10 172.95 3ccz n THR 804 N -0.26 0.71 -4.10 0.90 -2.24 -0.12 -4.83 114.28 104.34 3ccz n THR 804 Ca -0.14 -0.85 -0.14 0.00 -2.27 0.00 0.00 64.05 60.65 3ccz n THR 804 Cb 0.63 0.66 -0.11 0.00 -2.10 0.00 0.00 70.33 69.41 3ccz n THR 804 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3ccz s VAL 805 N -0.77 0.72 0.00 2.28 -7.23 -1.23 -2.32 120.40 111.84 3ccz s VAL 805 Ca 0.05 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 3ccz s VAL 805 Cb 0.03 -0.83 0.00 0.00 0.56 0.00 0.00 36.38 36.13 3ccz s VAL 805 CO 0.04 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 3ccz n GLY 806 N 1.27 -2.17 7.00 2.32 0.00 -1.26 -4.30 105.19 108.05 3ccz n GLY 806 Ca -0.21 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3ccz n GLY 806 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ccz n GLY 807 N -1.94 2.58 0.01 -0.02 0.00 -1.26 -2.52 105.19 102.04 3ccz n GLY 807 Ca 0.00 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.69 3ccz n GLY 807 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ccz n GLY 808 N 0.00 -1.07 0.00 -0.02 0.00 -1.17 -2.59 105.19 100.35 3ccz n GLY 808 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.11 3ccz n GLY 808 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ccz n THR 809 N -1.56 0.07 0.60 2.61 -2.24 -1.05 -2.90 114.28 109.81 3ccz n THR 809 Ca 0.04 0.02 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 3ccz n THR 809 Cb 0.19 -0.56 0.34 0.00 -2.10 0.00 0.00 70.33 68.20 3ccz n THR 809 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3ccz h ASN 810 N 0.00 0.00 -3.68 3.42 2.35 -1.65 -3.41 115.58 112.61 3ccz h ASN 810 Ca 0.00 -0.05 -0.50 0.00 -0.55 0.00 0.00 56.30 55.20 3ccz h ASN 810 Cb 0.19 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3ccz h ASN 810 CO 0.00 0.03 0.22 -0.76 -1.65 0.00 0.00 177.43 175.26 3ccz s LEU 811 N -4.51 4.40 0.14 1.61 1.43 -1.14 -4.98 118.68 115.63 3ccz s LEU 811 Ca 0.09 1.63 -0.12 0.00 -1.03 0.00 0.00 54.13 54.71 3ccz s LEU 811 Cb 0.12 -3.69 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 3ccz s LEU 811 CO 0.63 0.03 1.53 -0.07 0.23 0.00 0.00 176.35 178.70 3ccz h LEU 812 N 3.51 0.93 -0.92 1.79 3.38 -1.89 -1.37 115.31 120.75 3ccz h LEU 812 Ca -0.47 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.09 3ccz h LEU 812 Cb 1.19 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 3ccz h LEU 812 CO 0.65 1.12 0.54 -0.65 0.09 0.00 0.00 178.44 180.20 3ccz h PRO 813 N 0.74 1.25 -0.23 1.13 0.11 -1.95 -1.84 132.00 131.21 3ccz h PRO 813 Ca 0.10 -0.12 -0.10 0.00 0.11 0.00 0.00 66.00 65.99 3ccz h PRO 813 Cb 0.76 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3ccz h PRO 813 CO 0.06 0.88 -0.30 1.96 -0.21 0.00 0.00 178.00 180.39 3ccz h GLN 814 N 1.26 0.47 0.00 1.05 7.50 -1.76 -2.72 115.11 120.91 3ccz h GLN 814 Ca 0.33 -0.19 -0.05 0.00 0.50 0.00 0.00 58.65 59.24 3ccz h GLN 814 Cb -0.04 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.47 3ccz h GLN 814 CO -0.06 0.72 -0.21 1.96 -1.50 0.00 0.00 178.83 179.74 3ccz h GLN 815 N 0.41 0.00 -0.48 1.46 4.20 -0.83 -2.72 115.11 117.15 3ccz h GLN 815 Ca 0.05 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 3ccz h GLN 815 Cb 0.73 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 3ccz h GLN 815 CO 0.06 0.21 -0.12 0.00 -0.67 0.00 0.00 178.83 178.31 3ccz h ALA 816 N 1.79 0.66 -0.16 3.87 0.00 -1.01 -0.68 119.26 123.72 3ccz h ALA 816 Ca -0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 3ccz h ALA 816 Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3ccz h ALA 816 CO 0.03 0.57 -0.49 0.00 0.00 0.00 0.00 179.25 179.36 3ccz h LEU 818 N 0.34 0.50 -1.00 0.00 3.38 -1.40 -3.09 115.31 114.04 3ccz h LEU 818 Ca 0.02 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 3ccz h LEU 818 Cb 0.98 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3ccz h LEU 818 CO 0.09 0.76 -0.47 1.56 0.09 0.00 0.00 178.44 180.47 3ccz h GLN 819 N 0.44 0.00 -0.48 1.13 4.20 -0.80 -2.06 115.11 117.54 3ccz h GLN 819 Ca 0.06 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.81 3ccz h GLN 819 Cb 0.70 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.44 3ccz h GLN 819 CO 0.05 0.47 0.26 0.52 -0.67 0.00 0.00 178.83 179.46 3ccz h MET 820 N 0.00 0.49 -0.00 1.46 2.86 -1.34 -2.65 114.93 115.75 3ccz h MET 820 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3ccz h MET 820 Cb 0.89 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.44 3ccz h MET 820 CO 0.06 0.33 -0.09 1.28 1.06 0.00 0.00 176.91 179.55 3ccz n LEU 821 N -4.87 0.13 -0.92 1.22 4.77 -1.02 -4.69 117.00 111.62 3ccz n LEU 821 Ca 0.03 0.33 -0.07 0.00 -0.03 0.00 0.00 56.01 56.27 3ccz n LEU 821 Cb 0.11 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3ccz n LEU 821 CO 0.30 0.03 -0.06 0.61 -1.33 0.00 0.00 177.39 176.94 3ccz n GLY 822 N 1.44 0.15 0.07 -0.72 0.00 -0.82 -4.94 105.19 100.36 3ccz n GLY 822 Ca 0.09 -0.56 0.02 0.00 0.00 0.00 0.00 46.02 45.57 3ccz n GLY 822 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ccz n VAL 823 N -3.89 0.81 -2.12 1.61 0.24 -0.91 -5.01 118.33 109.07 3ccz n VAL 823 Ca -0.07 -0.89 -0.41 0.00 -2.04 0.00 0.00 64.34 60.93 3ccz n VAL 823 Cb 0.55 0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 33.38 3ccz n VAL 823 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3ccz s GLN 824 N -1.00 4.33 1.10 7.34 -0.44 -1.21 -4.72 119.66 125.05 3ccz s GLN 824 Ca 0.06 2.17 0.00 0.00 -2.50 0.00 0.00 55.36 55.09 3ccz s GLN 824 Cb 0.05 -3.15 0.00 0.00 -1.64 0.00 0.00 33.01 28.27 3ccz s GLN 824 CO 0.01 -0.33 0.00 0.41 0.50 0.00 0.00 175.29 175.87 3ccz n GLY 825 N 2.29 -1.89 3.76 2.59 0.00 -0.98 -4.84 105.19 106.11 3ccz n GLY 825 Ca 0.06 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 3ccz n GLY 825 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ccz s ALA 826 N -1.22 3.48 -0.38 4.61 0.00 -1.26 -4.66 121.76 122.33 3ccz s ALA 826 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.66 3ccz s ALA 826 Cb 0.00 -2.72 0.02 0.00 0.00 0.00 0.00 23.12 20.42 3ccz s ALA 826 CO 0.00 0.13 1.10 0.00 0.00 0.00 0.00 175.76 176.99 3ccz h LYS 828 N 8.55 0.68 -0.17 0.00 1.57 -1.99 -3.01 116.57 122.19 3ccz h LYS 828 Ca -0.21 -0.57 -0.20 0.00 -1.87 0.00 0.00 60.65 57.80 3ccz h LYS 828 Cb 1.06 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3ccz h LYS 828 CO 1.07 1.18 -0.70 -0.44 -0.57 0.00 0.00 179.45 179.99 3ccz h ASP 829 N 0.46 0.84 -3.03 0.86 3.32 -2.06 -3.39 116.42 113.42 3ccz h ASP 829 Ca -0.05 -0.52 -0.60 0.00 0.02 0.00 0.00 57.03 55.88 3ccz h ASP 829 Cb 1.40 -0.25 -0.40 0.00 0.22 0.00 0.00 39.33 40.31 3ccz h ASP 829 CO 0.15 1.30 -0.79 0.21 -1.72 0.00 0.00 179.24 178.39 3ccz s ASN 830 N -7.03 3.19 -0.01 6.45 2.47 -1.24 -5.11 114.94 113.65 3ccz s ASN 830 Ca -0.09 -2.79 -0.36 0.00 0.42 0.00 0.00 52.86 50.03 3ccz s ASN 830 Cb 0.10 -0.86 -0.15 0.00 -1.45 0.00 0.00 41.25 38.89 3ccz s ASN 830 CO 0.88 -0.23 1.60 -2.65 -3.72 0.00 0.00 177.10 172.98 3ccz n PRO 831 N 3.29 1.60 -0.33 0.43 -0.02 -1.14 -1.80 135.00 137.03 3ccz n PRO 831 Ca 0.15 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3ccz n PRO 831 Cb 0.38 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3ccz n PRO 831 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ccz n GLY 832 N 3.49 0.67 0.16 -1.23 0.00 -1.25 -4.86 105.19 102.18 3ccz n GLY 832 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 3ccz n GLY 832 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ccz h GLU 833 N 4.27 0.38 -0.34 1.61 4.57 -1.67 -1.99 114.58 121.41 3ccz h GLU 833 Ca 0.00 -0.34 -0.15 0.00 -1.18 0.00 0.00 59.36 57.69 3ccz h GLU 833 Cb 0.00 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3ccz h GLU 833 CO 0.00 1.00 -0.36 -0.91 -1.18 0.00 0.00 179.01 177.55 3ccz h ASN 834 N 0.24 0.90 -0.33 1.04 2.35 -1.88 -1.21 115.58 116.69 3ccz h ASN 834 Ca -0.04 -0.48 -0.13 0.00 -0.55 0.00 0.00 56.30 55.10 3ccz h ASN 834 Cb 1.39 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 3ccz h ASN 834 CO 0.13 1.19 -0.28 0.00 -1.65 0.00 0.00 177.43 176.83 3ccz h ALA 835 N 0.73 0.75 -0.48 -0.83 0.00 -1.81 -2.03 119.26 115.59 3ccz h ALA 835 Ca 0.05 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3ccz h ALA 835 Cb 0.95 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3ccz h ALA 835 CO 0.09 0.66 -0.12 0.00 0.00 0.00 0.00 179.25 179.87 3ccz h ARG 836 N 0.72 0.88 -0.54 0.00 3.08 -1.36 -2.13 114.38 115.04 3ccz h ARG 836 Ca 0.08 -0.32 -0.10 0.00 0.07 0.00 0.00 59.98 59.72 3ccz h ARG 836 Cb 0.83 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 3ccz h ARG 836 CO 0.07 0.96 -0.06 0.37 -1.07 0.00 0.00 179.97 180.24 3ccz h GLN 837 N 0.79 0.97 -0.28 0.04 5.75 -1.09 -2.04 115.11 119.25 3ccz h GLN 837 Ca 0.13 -0.32 -0.09 0.00 -0.15 0.00 0.00 58.65 58.22 3ccz h GLN 837 Cb 0.65 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 3ccz h GLN 837 CO 0.04 0.99 -0.19 1.25 -2.65 0.00 0.00 178.83 178.27 3ccz h LEU 838 N 0.88 0.51 -0.73 -2.39 5.85 -1.24 -1.68 115.31 116.52 3ccz h LEU 838 Ca 0.15 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 3ccz h LEU 838 Cb 0.60 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3ccz h LEU 838 CO 0.04 0.72 -0.14 0.00 -0.34 0.00 0.00 178.44 178.72 3ccz h ALA 839 N 1.33 0.92 -0.52 1.25 0.00 -1.08 -1.21 119.26 119.95 3ccz h ALA 839 Ca 0.08 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 3ccz h ALA 839 Cb 0.60 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ccz h ALA 839 CO 0.04 0.63 -0.05 0.00 0.00 0.00 0.00 179.25 179.86 3ccz h ARG 840 N 0.74 0.92 -0.37 0.00 3.08 -1.07 -1.96 114.38 115.72 3ccz h ARG 840 Ca 0.12 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.77 3ccz h ARG 840 Cb 0.64 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 3ccz h ARG 840 CO 0.05 0.94 -0.18 0.82 -1.07 0.00 0.00 179.97 180.53 3ccz h ILE 841 N 0.83 1.26 -0.26 2.04 2.04 -1.02 -1.05 117.51 121.36 3ccz h ILE 841 Ca 0.15 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 3ccz h ILE 841 Cb 0.57 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3ccz h ILE 841 CO 0.03 0.41 -0.03 0.58 0.00 0.00 0.00 178.15 179.14 3ccz h VAL 842 N 0.61 1.27 -0.54 1.67 2.07 -1.03 -1.35 116.25 118.95 3ccz h VAL 842 Ca 0.10 -1.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.53 3ccz h VAL 842 Cb 0.64 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3ccz h VAL 842 CO 0.05 0.32 -0.01 0.00 0.02 0.00 0.00 177.57 177.94 3ccz h GLY 844 N 0.99 0.77 1.56 0.00 0.00 -1.15 -2.12 103.07 103.11 3ccz h GLY 844 Ca 0.16 -0.79 -0.17 0.00 0.00 0.00 0.00 47.33 46.52 3ccz h GLY 844 CO 0.03 0.72 -0.64 -0.84 0.00 0.00 0.00 176.54 175.81 3ccz h THR 845 N 0.57 1.35 -0.57 4.70 2.02 -1.07 -2.16 112.91 117.74 3ccz h THR 845 Ca 0.04 -1.96 0.01 0.00 0.77 0.00 0.00 66.41 65.27 3ccz h THR 845 Cb 0.97 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 69.30 3ccz h THR 845 CO 0.09 0.60 0.38 0.58 0.37 0.00 0.00 175.52 177.53 3ccz h VAL 846 N 0.33 1.14 -0.60 3.16 2.07 -1.02 -1.04 116.25 120.29 3ccz h VAL 846 Ca -0.01 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3ccz h VAL 846 Cb 1.19 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3ccz h VAL 846 CO 0.11 0.14 0.23 -0.03 0.02 0.00 0.00 177.57 178.04 3ccz h MET 847 N 0.77 0.88 -0.58 1.57 -1.53 -1.18 0.70 114.93 115.56 3ccz h MET 847 Ca 0.21 -0.14 -0.05 0.00 -3.44 0.00 0.00 59.70 56.28 3ccz h MET 847 Cb -0.08 -0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 30.79 3ccz h MET 847 CO -0.05 0.73 0.17 0.00 0.14 0.00 0.00 176.91 177.91 3ccz h ALA 848 N 1.39 0.76 -0.10 0.39 0.00 -1.00 -1.66 119.26 119.04 3ccz h ALA 848 Ca 0.20 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3ccz h ALA 848 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ccz h ALA 848 CO -0.02 0.43 -0.31 0.78 0.00 0.00 0.00 179.25 180.14 3ccz h GLY 849 N 0.82 0.21 1.01 0.00 0.00 -0.55 -2.76 103.07 101.81 3ccz h GLY 849 Ca 0.19 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 3ccz h GLY 849 CO -0.00 0.16 -0.26 0.83 0.00 0.00 0.00 176.54 177.27 3ccz h GLU 850 N 0.17 0.79 -0.52 4.80 4.39 -0.59 -2.37 114.58 121.26 3ccz h GLU 850 Ca 0.02 -0.38 0.01 0.00 0.34 0.00 0.00 59.36 59.35 3ccz h GLU 850 Cb 0.64 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 3ccz h GLU 850 CO 0.05 1.01 0.34 -0.07 -1.16 0.00 0.00 179.01 179.18 3ccz h LEU 851 N 0.57 0.59 -0.06 1.33 3.38 -1.12 -1.97 115.31 118.03 3ccz h LEU 851 Ca 0.07 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3ccz h LEU 851 Cb 0.82 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.43 3ccz h LEU 851 CO 0.07 0.42 -0.37 -1.28 0.09 0.00 0.00 178.44 177.38 3ccz h SER 852 N 0.69 0.42 -0.44 -0.43 0.87 -1.49 -2.36 113.55 110.82 3ccz h SER 852 Ca 0.19 -0.67 -0.11 0.00 -1.23 0.00 0.00 61.79 59.97 3ccz h SER 852 Cb -0.08 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 3ccz h SER 852 CO -0.04 1.03 -0.15 0.25 -0.53 0.00 0.00 176.83 177.38 3ccz h LEU 853 N -0.16 0.89 -1.29 2.23 5.85 -1.45 -1.85 115.31 119.52 3ccz h LEU 853 Ca -0.03 -0.38 -0.07 0.00 0.84 0.00 0.00 57.88 58.24 3ccz h LEU 853 Cb 1.04 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3ccz h LEU 853 CO 0.08 1.07 -0.31 0.24 -0.34 0.00 0.00 178.44 179.17 3ccz h MET 854 N 0.71 0.07 -0.14 1.25 2.86 -1.44 -1.61 114.93 116.63 3ccz h MET 854 Ca 0.11 -0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.56 3ccz h MET 854 Cb 0.70 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 3ccz h MET 854 CO 0.05 0.38 -0.58 0.00 1.06 0.00 0.00 176.91 177.82 3ccz h ALA 855 N 1.63 0.74 -0.16 6.32 0.00 -1.23 -1.98 119.26 124.57 3ccz h ALA 855 Ca 0.01 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 3ccz h ALA 855 Cb 0.58 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ccz h ALA 855 CO 0.04 0.70 -0.50 0.00 0.00 0.00 0.00 179.25 179.49 3ccz h ALA 856 N 1.04 0.84 0.02 0.00 0.00 -0.86 -2.62 119.26 117.68 3ccz h ALA 856 Ca -0.00 -0.49 -0.21 0.00 0.00 0.00 0.00 54.91 54.22 3ccz h ALA 856 Cb 1.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3ccz h ALA 856 CO 0.10 0.67 -0.95 -0.07 0.00 0.00 0.00 179.25 179.01 3ccz h LEU 857 N 0.34 0.23 -0.23 0.00 3.38 -1.28 -2.52 115.31 115.23 3ccz h LEU 857 Ca 0.01 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.63 3ccz h LEU 857 Cb 1.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3ccz h LEU 857 CO 0.09 1.05 -0.42 0.00 0.09 0.00 0.00 178.44 179.25 3ccz h ALA 858 N 0.93 0.36 0.00 1.53 0.00 -1.33 -3.21 119.26 117.55 3ccz h ALA 858 Ca -0.05 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.24 3ccz h ALA 858 Cb 1.61 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 3ccz h ALA 858 CO 0.14 0.48 -0.75 0.00 0.00 0.00 0.00 179.25 179.12 3ccz h ALA 859 N 0.63 0.63 0.00 0.00 0.00 -1.56 -3.50 119.26 115.47 3ccz h ALA 859 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3ccz h ALA 859 Cb 1.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3ccz h ALA 859 CO 0.09 0.94 0.00 0.41 0.00 0.00 0.00 179.25 180.69