#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 4.01 0.55 3.49 0.02 -1.26 -4.99 135.00 136.83 3ccz s PRO 442 Ca 0.00 2.33 -0.07 0.00 0.02 0.00 0.00 61.00 63.27 3ccz s PRO 442 Cb 0.00 -4.12 -0.02 0.00 0.02 0.00 0.00 34.50 30.38 3ccz s PRO 442 CO 0.00 -1.08 0.89 1.03 -0.33 0.00 0.00 177.00 177.51 3ccz s ARG 443 N 4.55 3.37 1.08 5.54 0.52 -1.26 -5.07 118.95 127.68 3ccz s ARG 443 Ca 0.83 0.31 -0.12 0.00 -0.52 0.00 0.00 55.73 56.23 3ccz s ARG 443 Cb -0.37 -2.26 0.23 0.00 0.52 0.00 0.00 34.95 33.08 3ccz s ARG 443 CO 0.36 -0.46 1.06 -2.14 0.02 0.00 0.00 175.30 174.14 3ccz s PRO 444 N -4.95 -0.22 0.31 3.54 0.02 -1.26 -4.89 135.00 127.55 3ccz s PRO 444 Ca 0.51 0.77 0.09 0.00 0.02 0.00 0.00 61.00 62.39 3ccz s PRO 444 Cb -0.11 -1.64 0.52 0.00 0.02 0.00 0.00 34.50 33.29 3ccz s PRO 444 CO 0.48 -3.24 1.72 -0.97 -0.33 0.00 0.00 177.00 174.66 3ccz h ASN 445 N -2.27 0.13 -0.26 2.53 -1.24 -1.98 -3.01 115.58 109.48 3ccz h ASN 445 Ca -0.57 -0.06 -0.16 0.00 0.71 0.00 0.00 56.30 56.22 3ccz h ASN 445 Cb 1.33 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 40.34 3ccz h ASN 445 CO 0.53 0.56 -0.45 -0.33 -1.29 0.00 0.00 177.43 176.44 3ccz h GLU 446 N 0.11 0.77 0.00 6.67 5.08 -2.01 -3.14 114.58 122.05 3ccz h GLU 446 Ca 0.01 -0.48 -0.09 0.00 -1.00 0.00 0.00 59.36 57.80 3ccz h GLU 446 Cb 0.82 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3ccz h GLU 446 CO 0.06 1.10 -0.44 0.93 -1.00 0.00 0.00 179.01 179.66 3ccz h GLU 447 N 0.52 0.00 -0.01 2.33 5.08 -1.93 -3.14 114.58 117.43 3ccz h GLU 447 Ca 0.02 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 3ccz h GLU 447 Cb 1.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 3ccz h GLU 447 CO 0.10 0.44 -0.74 0.00 -1.00 0.00 0.00 179.01 177.81 3ccz h LEU 449 N 0.03 0.92 -1.51 0.00 3.38 -1.50 -3.01 115.31 113.62 3ccz h LEU 449 Ca -0.01 -0.69 -0.05 0.00 0.09 0.00 0.00 57.88 57.22 3ccz h LEU 449 Cb 1.31 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3ccz h LEU 449 CO 0.10 1.49 -0.25 0.06 0.09 0.00 0.00 178.44 179.93 3ccz h GLN 450 N 0.44 0.00 -0.02 1.13 3.07 -1.64 -2.64 115.11 115.45 3ccz h GLN 450 Ca -0.10 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.46 3ccz h GLN 450 Cb 1.59 0.00 0.01 0.00 0.08 0.00 0.00 27.48 29.17 3ccz h GLN 450 CO 0.19 0.25 -0.67 0.82 0.09 0.00 0.00 178.83 179.51 3ccz h ILE 451 N 0.00 1.38 -3.42 1.86 2.04 -1.63 -3.53 117.51 114.21 3ccz h ILE 451 Ca -0.00 -2.06 -0.53 0.00 1.00 0.00 0.00 64.86 63.27 3ccz h ILE 451 Cb 0.48 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 3ccz h ILE 451 CO 0.03 0.61 0.43 -0.22 0.00 0.00 0.00 178.15 179.00 3ccz s LEU 452 N -8.35 4.42 0.07 1.44 1.98 -1.00 -5.06 118.68 112.19 3ccz s LEU 452 Ca -0.12 1.84 0.00 0.00 -2.89 0.00 0.00 54.13 52.96 3ccz s LEU 452 Cb 0.05 -3.58 0.00 0.00 0.66 0.00 0.00 46.19 43.32 3ccz s LEU 452 CO 0.84 -0.26 0.00 0.00 -1.89 0.00 0.00 176.35 175.05 3ccz n ALA 459 N 3.41 0.00 0.02 5.97 0.00 -1.26 -5.06 120.51 123.58 3ccz n ALA 459 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 3ccz n ALA 459 Cb 0.49 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.06 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 0.48 -0.31 0.00 3.64 -1.98 -3.15 116.57 115.24 3ccz h LYS 460 Ca 0.00 -0.25 -0.16 0.00 -1.27 0.00 0.00 60.65 58.97 3ccz h LYS 460 Cb 0.00 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3ccz h LYS 460 CO 0.00 0.82 -0.46 0.74 -2.27 0.00 0.00 179.45 178.28 3ccz h PHE 461 N 0.39 1.00 -4.31 1.91 -1.00 -2.03 -3.45 116.94 109.46 3ccz h PHE 461 Ca 0.03 -0.32 -0.49 0.00 2.81 0.00 0.00 57.97 60.00 3ccz h PHE 461 Cb 0.91 -0.20 0.11 0.00 3.61 0.00 0.00 35.95 40.38 3ccz h PHE 461 CO 0.03 1.12 0.34 -0.51 -1.61 0.00 0.00 178.31 177.68 3ccz s LEU 462 N -8.70 2.61 0.55 1.54 1.43 -1.19 -5.09 118.68 109.83 3ccz s LEU 462 Ca -0.10 1.29 0.09 0.00 -1.03 0.00 0.00 54.13 54.38 3ccz s LEU 462 Cb 0.11 -3.91 0.07 0.00 0.03 0.00 0.00 46.19 42.49 3ccz s LEU 462 CO 0.87 -1.93 0.72 -0.94 0.23 0.00 0.00 176.35 175.30 3ccz s SER 463 N -3.94 5.13 0.19 2.29 1.04 -1.26 -4.90 113.70 112.26 3ccz s SER 463 Ca 0.61 -0.82 -0.05 0.00 0.48 0.00 0.00 55.95 56.16 3ccz s SER 463 Cb -0.14 0.17 0.12 0.00 0.10 0.00 0.00 66.02 66.27 3ccz s SER 463 CO 0.54 -1.23 1.55 0.44 0.98 0.00 0.00 173.24 175.52 3ccz h ASP 464 N 0.30 0.74 0.14 7.02 5.19 -1.98 -3.02 116.42 124.81 3ccz h ASP 464 Ca -0.32 -0.33 -0.11 0.00 -0.62 0.00 0.00 57.03 55.65 3ccz h ASP 464 Cb 1.29 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 3ccz h ASP 464 CO 0.43 1.05 -0.39 0.00 -3.12 0.00 0.00 179.24 177.22 3ccz h ALA 465 N 0.98 1.06 -0.10 3.45 0.00 -2.01 -3.05 119.26 119.60 3ccz h ALA 465 Ca 0.05 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 3ccz h ALA 465 Cb 0.94 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3ccz h ALA 465 CO 0.09 0.59 -0.64 0.93 0.00 0.00 0.00 179.25 180.22 3ccz h GLU 466 N 0.28 0.37 -0.22 0.00 5.08 -1.95 -3.09 114.58 115.05 3ccz h GLU 466 Ca 0.03 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 58.00 3ccz h GLU 466 Cb 0.81 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3ccz h GLU 466 CO 0.06 0.89 -0.37 0.82 -1.00 0.00 0.00 179.01 179.41 3ccz h ILE 467 N 0.27 1.30 -0.43 3.13 2.04 -1.48 -2.92 117.51 119.41 3ccz h ILE 467 Ca -0.01 -1.50 -0.07 0.00 1.00 0.00 0.00 64.86 64.28 3ccz h ILE 467 Cb 1.18 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 3ccz h ILE 467 CO 0.11 0.47 -0.01 0.40 0.00 0.00 0.00 178.15 179.12 3ccz h ILE 468 N 0.41 1.23 -0.06 -0.67 2.04 -1.50 -2.74 117.51 116.22 3ccz h ILE 468 Ca 0.04 -0.95 -0.08 0.00 1.00 0.00 0.00 64.86 64.87 3ccz h ILE 468 Cb 0.84 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3ccz h ILE 468 CO 0.07 0.33 -0.33 -0.61 0.00 0.00 0.00 178.15 177.61 3ccz h GLN 469 N 0.66 0.11 -0.18 2.37 4.15 -1.43 -2.98 115.11 117.80 3ccz h GLN 469 Ca 0.13 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.39 3ccz h GLN 469 Cb 0.42 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 3ccz h GLN 469 CO 0.02 0.43 -0.42 -0.07 -1.93 0.00 0.00 178.83 176.85 3ccz h LEU 470 N 0.09 0.46 -0.22 -2.39 4.07 -1.35 -2.68 115.31 113.29 3ccz h LEU 470 Ca 0.01 -0.20 -0.13 0.00 0.08 0.00 0.00 57.88 57.63 3ccz h LEU 470 Cb 0.64 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.25 3ccz h LEU 470 CO 0.05 0.83 -0.38 0.58 -1.08 0.00 0.00 178.44 178.43 3ccz h VAL 471 N 0.35 1.32 0.00 1.22 2.07 -1.43 -3.16 116.25 116.63 3ccz h VAL 471 Ca 0.03 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.95 3ccz h VAL 471 Cb 0.89 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3ccz h VAL 471 CO 0.08 0.50 0.00 0.78 0.02 0.00 0.00 177.57 178.95 3ccz h ASN 472 N 0.36 0.00 1.24 0.57 4.21 -1.56 -3.14 115.58 117.26 3ccz h ASN 472 Ca 0.02 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.50 3ccz h ASN 472 Cb 0.98 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.18 3ccz h ASN 472 CO 0.09 0.00 -0.11 0.00 -1.29 0.00 0.00 177.43 176.12 3ccz h ALA 473 N 2.22 0.98 -5.06 -0.83 0.00 -1.43 -3.52 119.26 111.62 3ccz h ALA 473 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ccz h ALA 473 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3ccz h ALA 473 CO 0.00 0.14 -0.52 1.63 0.00 0.00 0.00 179.25 180.50 3ccz n LYS 474 N -3.20 -2.32 0.00 0.00 4.76 -1.19 -5.12 118.16 111.09 3ccz n LYS 474 Ca 0.01 2.07 0.00 0.00 -2.87 0.00 0.00 58.31 57.52 3ccz n LYS 474 Cb 0.43 -5.28 0.00 0.00 -1.84 0.00 0.00 35.03 28.34 3ccz n LYS 474 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3ccz n LEU 484 N -0.19 0.00 -4.87 -0.35 4.32 -1.26 -4.99 117.00 109.66 3ccz n LEU 484 Ca 0.09 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.77 3ccz n LEU 484 Cb 0.36 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.12 3ccz n LEU 484 CO 0.43 0.00 0.38 -0.63 -1.22 0.00 0.00 177.39 176.36 3ccz s ILE 485 N 0.00 4.79 -0.04 -0.08 -1.09 -1.26 -4.72 121.20 118.80 3ccz s ILE 485 Ca 0.00 0.65 -0.17 0.00 -2.23 0.00 0.00 60.65 58.90 3ccz s ILE 485 Cb 0.00 -3.68 -0.11 0.00 -1.58 0.00 0.00 42.46 37.09 3ccz s ILE 485 CO 0.00 -0.34 0.69 -0.33 -1.23 0.00 0.00 174.94 173.73 3ccz h GLU 486 N 1.77 -0.39 -6.22 2.79 3.07 -1.98 -3.46 114.58 110.15 3ccz h GLU 486 Ca -0.47 0.03 -0.55 0.00 -0.50 0.00 0.00 59.36 57.86 3ccz h GLU 486 Cb 1.18 0.09 -0.07 0.00 -0.84 0.00 0.00 28.75 29.11 3ccz h GLU 486 CO 0.65 -0.13 -0.59 0.95 -1.40 0.00 0.00 179.01 178.49 3ccz s THR 487 N -3.30 4.09 0.21 1.13 -4.23 -1.26 -5.04 115.64 107.24 3ccz s THR 487 Ca -0.09 -1.46 0.04 0.00 -1.18 0.00 0.00 61.69 58.99 3ccz s THR 487 Cb 0.01 -3.15 -0.08 0.00 1.34 0.00 0.00 72.50 70.61 3ccz s THR 487 CO 0.31 -0.26 1.49 0.45 -0.54 0.00 0.00 174.62 176.07 3ccz h HIS 488 N 1.99 0.30 -0.39 3.99 3.86 -1.98 -3.01 115.15 119.91 3ccz h HIS 488 Ca -0.47 -0.13 -0.11 0.00 -1.16 0.00 0.00 60.37 58.50 3ccz h HIS 488 Cb 1.23 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.64 3ccz h HIS 488 CO 0.60 0.85 -0.20 1.49 0.86 0.00 0.00 177.93 181.53 3ccz h GLU 489 N 0.15 0.75 -0.29 2.45 4.81 -1.96 -2.92 114.58 117.57 3ccz h GLU 489 Ca -0.02 -0.29 -0.09 0.00 -0.13 0.00 0.00 59.36 58.83 3ccz h GLU 489 Cb 1.26 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3ccz h GLU 489 CO 0.11 0.89 -0.21 -0.09 -0.73 0.00 0.00 179.01 178.98 3ccz h ARG 490 N 0.66 0.54 -0.29 1.92 2.43 -1.98 -2.80 114.38 114.86 3ccz h ARG 490 Ca 0.10 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 3ccz h ARG 490 Cb 0.70 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3ccz h ARG 490 CO 0.05 0.71 -0.02 0.78 -1.51 0.00 0.00 179.97 179.99 3ccz h GLY 491 N 0.99 0.48 1.49 2.80 0.00 -1.38 -2.56 103.07 104.89 3ccz h GLY 491 Ca 0.08 -0.28 -0.16 0.00 0.00 0.00 0.00 47.33 46.97 3ccz h GLY 491 CO 0.04 0.26 -0.54 -2.08 0.00 0.00 0.00 176.54 174.23 3ccz h VAL 492 N 0.43 1.32 -0.50 4.60 2.07 -1.34 -2.98 116.25 119.85 3ccz h VAL 492 Ca 0.09 -1.78 -0.08 0.00 0.82 0.00 0.00 66.70 65.75 3ccz h VAL 492 Cb 0.31 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3ccz h VAL 492 CO 0.01 0.55 -0.02 -1.28 0.02 0.00 0.00 177.57 176.85 3ccz h SER 493 N 0.42 0.83 -0.04 0.57 0.87 -1.22 -2.20 113.55 112.78 3ccz h SER 493 Ca 0.01 -0.22 -0.16 0.00 -1.23 0.00 0.00 61.79 60.19 3ccz h SER 493 Cb 1.07 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 3ccz h SER 493 CO 0.10 0.91 -0.53 0.40 -0.53 0.00 0.00 176.83 177.18 3ccz h ILE 494 N 0.79 1.31 0.00 2.23 1.08 -1.49 -2.76 117.51 118.67 3ccz h ILE 494 Ca 0.15 -1.76 -0.07 0.00 -0.39 0.00 0.00 64.86 62.79 3ccz h ILE 494 Cb 0.50 1.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 3ccz h ILE 494 CO 0.03 0.55 -0.34 -0.09 -0.69 0.00 0.00 178.15 177.61 3ccz h ARG 495 N 0.48 0.00 -0.02 2.37 2.43 -1.36 -2.79 114.38 115.50 3ccz h ARG 495 Ca 0.01 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.98 3ccz h ARG 495 Cb 1.08 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3ccz h ARG 495 CO 0.10 0.34 -0.87 0.00 -1.51 0.00 0.00 179.97 178.03 3ccz h ARG 496 N 0.00 0.35 -0.10 0.20 3.08 -1.22 -2.65 114.38 114.05 3ccz h ARG 496 Ca -0.00 -0.36 -0.22 0.00 0.07 0.00 0.00 59.98 59.47 3ccz h ARG 496 Cb 0.61 0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.76 3ccz h ARG 496 CO 0.04 1.03 -0.80 1.96 -1.07 0.00 0.00 179.97 181.13 3ccz h GLN 497 N 0.21 0.63 -0.52 0.04 4.20 -1.40 -1.88 115.11 116.39 3ccz h GLN 497 Ca -0.06 -0.54 -0.08 0.00 0.06 0.00 0.00 58.65 58.03 3ccz h GLN 497 Cb 1.49 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 29.37 3ccz h GLN 497 CO 0.15 1.16 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.39 3ccz h LEU 498 N 0.42 0.86 -0.67 1.46 3.38 -1.57 -3.06 115.31 116.13 3ccz h LEU 498 Ca -0.06 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 3ccz h LEU 498 Cb 1.42 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3ccz h LEU 498 CO 0.15 0.93 -0.49 0.25 0.09 0.00 0.00 178.44 179.37 3ccz h LEU 499 N 0.82 0.46 -0.96 1.67 5.85 -1.41 -3.25 115.31 118.50 3ccz h LEU 499 Ca 0.15 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 3ccz h LEU 499 Cb 0.50 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3ccz h LEU 499 CO 0.02 0.88 -0.26 0.28 -0.34 0.00 0.00 178.44 179.03 3ccz h SER 500 N 0.34 0.46 0.21 1.25 0.02 -1.24 -2.59 113.55 112.00 3ccz h SER 500 Ca 0.02 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.73 3ccz h SER 500 Cb 0.99 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 3ccz h SER 500 CO 0.09 0.71 -0.33 0.11 -1.14 0.00 0.00 176.83 176.27 3ccz h LYS 501 N 0.40 0.18 0.00 3.45 1.57 -1.58 -2.90 116.57 117.69 3ccz h LYS 501 Ca 0.06 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 3ccz h LYS 501 Cb 0.67 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3ccz h LYS 501 CO 0.05 0.50 -0.41 0.87 -0.57 0.00 0.00 179.45 179.89 3ccz h LYS 502 N 0.16 0.00 -7.21 3.15 1.57 -1.54 -3.46 116.57 109.25 3ccz h LYS 502 Ca 0.02 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.32 3ccz h LYS 502 Cb 0.67 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.02 3ccz h LYS 502 CO 0.05 0.41 0.38 -0.51 -0.57 0.00 0.00 179.45 179.21 3ccz s LEU 503 N -6.98 3.54 0.28 2.94 1.43 -1.10 -4.97 118.68 113.83 3ccz s LEU 503 Ca 0.01 1.67 0.08 0.00 -1.03 0.00 0.00 54.13 54.85 3ccz s LEU 503 Cb 0.10 -4.52 0.41 0.00 0.03 0.00 0.00 46.19 42.21 3ccz s LEU 503 CO 0.70 -0.86 1.65 0.77 0.23 0.00 0.00 176.35 178.84 3ccz h SER 504 N 0.62 0.15 -3.61 2.29 4.64 -1.89 -3.38 113.55 112.37 3ccz h SER 504 Ca -0.47 -0.07 -0.68 0.00 -0.47 0.00 0.00 61.79 60.10 3ccz h SER 504 Cb 1.20 -0.04 -0.35 0.00 -0.31 0.00 0.00 62.40 62.90 3ccz h SER 504 CO 0.60 0.64 -0.63 -0.70 -0.87 0.00 0.00 176.83 175.87 3ccz s GLU 505 N -3.89 2.01 0.52 4.77 -6.30 -1.26 -5.00 118.70 109.55 3ccz s GLU 505 Ca -0.03 -1.67 0.22 0.00 -2.50 0.00 0.00 54.97 50.99 3ccz s GLU 505 Cb 0.13 -3.38 1.34 0.00 0.00 0.00 0.00 34.13 32.22 3ccz s GLU 505 CO 0.77 -0.91 2.04 -1.35 0.02 0.00 0.00 175.26 175.83 3ccz h PRO 506 N 7.94 0.02 -1.14 4.30 0.11 -1.75 -2.50 132.00 138.97 3ccz h PRO 506 Ca -0.13 -0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.56 3ccz h PRO 506 Cb 1.05 -0.00 -0.21 0.00 0.11 0.00 0.00 31.00 31.94 3ccz h PRO 506 CO 0.61 0.01 0.54 -1.13 -0.21 0.00 0.00 178.00 177.82 3ccz n SER 507 N -4.43 5.17 -0.01 -2.05 3.41 -1.26 -4.48 113.62 109.97 3ccz n SER 507 Ca 0.06 -3.25 -0.15 0.00 -0.26 0.00 0.00 58.87 55.27 3ccz n SER 507 Cb 0.43 -0.87 -0.05 0.00 -0.26 0.00 0.00 64.21 63.46 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 1.17 0.84 -0.28 4.04 0.02 -1.83 -3.24 113.55 114.27 3ccz h SER 508 Ca 0.44 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3ccz h SER 508 Cb 1.63 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.92 3ccz h SER 508 CO 0.94 1.33 0.00 0.18 -1.14 0.00 0.00 176.83 178.14 3ccz n LEU 509 N -3.91 2.15 -0.19 5.07 4.77 -1.26 -4.41 117.00 119.21 3ccz n LEU 509 Ca -0.07 -1.08 -0.04 0.00 -0.03 0.00 0.00 56.01 54.79 3ccz n LEU 509 Cb 0.73 -0.35 0.06 0.00 -2.33 0.00 0.00 43.42 41.54 3ccz n LEU 509 CO 0.52 0.41 1.05 -0.61 -1.33 0.00 0.00 177.39 177.43 3ccz h GLN 510 N 1.75 0.57 -0.32 3.23 4.15 -1.90 -2.85 115.11 119.74 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 0.68 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3ccz h GLN 510 CO 0.08 0.38 0.00 0.66 -1.93 0.00 0.00 178.83 178.01 3ccz n TYR 511 N -4.83 0.41 -2.69 3.99 4.02 -1.26 -4.80 117.16 111.99 3ccz n TYR 511 Ca 0.05 -0.21 -0.43 0.00 -0.01 0.00 0.00 57.90 57.30 3ccz n TYR 511 Cb 0.13 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.42 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 -1.52 3.81 0.73 7.72 2.96 -1.08 -5.04 118.68 126.26 3ccz s LEU 512 Ca 0.36 0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 54.54 3ccz s LEU 512 Cb 0.22 -3.40 0.03 0.00 0.50 0.00 0.00 46.19 43.53 3ccz s LEU 512 CO 0.30 -1.14 1.08 -2.16 -1.32 0.00 0.00 176.35 173.11 3ccz s PRO 513 N 4.10 2.64 0.00 0.98 0.04 -1.26 -4.91 135.00 136.59 3ccz s PRO 513 Ca 0.43 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.21 3ccz s PRO 513 Cb -0.09 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.48 3ccz s PRO 513 CO 0.28 -1.26 0.00 2.48 0.04 0.00 0.00 177.00 178.54 3ccz n TYR 514 N -3.20 0.00 -1.96 0.56 0.18 -1.26 -1.95 117.16 109.53 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 -0.95 3.03 -1.67 -3.48 0.52 -1.26 -3.83 118.95 111.32 3ccz s ARG 515 Ca 0.00 1.46 -0.02 0.00 -0.52 0.00 0.00 55.73 56.65 3ccz s ARG 515 Cb 0.00 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.50 3ccz s ARG 515 CO 0.00 -1.08 0.32 -0.25 0.02 0.00 0.00 175.30 174.31 3ccz n ASP 516 N -1.98 -6.01 -4.46 0.23 8.00 -1.26 -5.00 116.55 106.06 3ccz n ASP 516 Ca 0.11 -0.16 -0.33 0.00 0.71 0.00 0.00 54.79 55.12 3ccz n ASP 516 Cb 0.52 -4.93 -0.13 0.00 -0.02 0.00 0.00 41.12 36.55 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 -3.11 2.70 -0.90 1.24 5.04 -1.25 -5.06 117.35 116.01 3ccz s TYR 517 Ca 0.16 -0.21 -0.24 0.00 -2.44 0.00 0.00 57.07 54.33 3ccz s TYR 517 Cb -0.07 -1.65 0.01 0.00 0.35 0.00 0.00 41.96 40.60 3ccz s TYR 517 CO 0.20 0.14 1.63 1.21 -1.34 0.00 0.00 175.55 177.39 3ccz s ASN 518 N -0.63 5.88 0.00 4.32 2.47 -1.26 -4.81 114.94 120.91 3ccz s ASN 518 Ca 0.09 -0.86 0.29 0.00 0.42 0.00 0.00 52.86 52.80 3ccz s ASN 518 Cb -0.11 -2.56 1.22 0.00 -1.45 0.00 0.00 41.25 38.34 3ccz s ASN 518 CO 0.01 -2.05 1.86 -1.22 -3.72 0.00 0.00 177.10 171.98 3ccz n TYR 519 N 11.03 0.00 -0.25 0.43 4.02 -1.26 -4.11 117.16 127.02 3ccz n TYR 519 Ca 0.30 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 58.17 3ccz n TYR 519 Cb 0.50 -0.24 0.18 0.00 -0.02 0.00 0.00 39.34 39.76 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 0.37 0.95 0.79 7.72 4.64 -1.95 -2.28 113.55 123.79 3ccz h SER 520 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3ccz h SER 520 Cb 0.37 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3ccz h SER 520 CO 0.00 0.74 -0.38 0.18 -0.87 0.00 0.00 176.83 176.50 3ccz n LEU 521 N -4.37 0.47 -0.02 5.97 4.77 -1.26 -4.19 117.00 118.38 3ccz n LEU 521 Ca 0.08 0.22 -0.21 0.00 -0.03 0.00 0.00 56.01 56.07 3ccz n LEU 521 Cb 0.08 -0.29 -0.13 0.00 -2.33 0.00 0.00 43.42 40.74 3ccz n LEU 521 CO 0.38 0.02 -0.84 0.52 -1.33 0.00 0.00 177.39 176.14 3ccz n VAL 522 N -1.73 1.73 -2.19 4.08 0.31 -0.96 -4.49 118.33 115.08 3ccz n VAL 522 Ca 0.05 -0.58 -0.42 0.00 -0.01 0.00 0.00 64.34 63.38 3ccz n VAL 522 Cb 0.37 -1.74 -0.03 0.00 -0.91 0.00 0.00 33.84 31.53 3ccz n VAL 522 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3ccz s MET 523 N -2.54 4.31 -0.94 5.55 -1.94 -0.90 -1.69 119.30 121.17 3ccz s MET 523 Ca -0.24 2.04 -0.04 0.00 -1.71 0.00 0.00 55.69 55.74 3ccz s MET 523 Cb 0.07 -3.35 0.00 0.00 2.01 0.00 0.00 34.83 33.56 3ccz s MET 523 CO 0.73 -0.47 0.52 0.41 -0.01 0.00 0.00 175.02 176.19 3ccz n GLY 524 N 3.54 -0.04 1.80 -0.03 0.00 -1.26 -4.80 105.19 104.40 3ccz n GLY 524 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.33 0.00 0.00 4.61 0.00 -1.12 -5.04 120.51 115.63 3ccz n ALA 525 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3ccz n ALA 525 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.44 1.54 -1.45 0.00 8.01 -1.26 -4.23 118.70 119.87 3ccz s GLU 528 Ca -0.11 -1.73 -0.06 0.00 0.01 0.00 0.00 54.97 53.07 3ccz s GLU 528 Cb -0.02 -1.37 0.05 0.00 -4.31 0.00 0.00 34.13 28.48 3ccz s GLU 528 CO 0.06 0.18 0.73 0.09 0.01 0.00 0.00 175.26 176.32 3ccz n ASN 529 N -0.55 -2.30 -4.71 -0.19 3.02 -1.26 -4.87 115.26 104.41 3ccz n ASN 529 Ca -0.06 -0.88 -0.42 0.00 -0.03 0.00 0.00 54.58 53.19 3ccz n ASN 529 Cb 0.61 -3.60 -0.03 0.00 -0.61 0.00 0.00 39.78 36.16 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 -3.59 4.04 -0.05 2.41 1.01 -1.26 -4.93 120.40 118.04 3ccz s VAL 530 Ca 0.29 1.45 0.06 0.00 0.00 0.00 0.00 61.98 63.78 3ccz s VAL 530 Cb -0.15 -3.93 0.10 0.00 0.00 0.00 0.00 36.38 32.40 3ccz s VAL 530 CO 0.85 0.09 1.05 2.30 0.00 0.00 0.00 175.10 179.39 3ccz n ILE 531 N 4.07 1.28 -0.33 2.22 -5.35 -1.26 -4.67 119.36 115.32 3ccz n ILE 531 Ca 0.09 -1.40 0.00 0.00 -0.27 0.00 0.00 62.75 61.17 3ccz n ILE 531 Cb 0.46 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.63 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 -0.78 0.61 3.10 3.28 0.00 -1.26 -4.84 105.19 105.30 3ccz n GLY 532 Ca 0.05 -1.59 -0.08 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.53 0.35 -0.35 1.61 -0.85 -0.82 -4.96 117.35 108.80 3ccz s TYR 533 Ca 0.00 -0.79 -0.05 0.00 -0.52 0.00 0.00 57.07 55.71 3ccz s TYR 533 Cb 0.00 -0.25 0.06 0.00 0.38 0.00 0.00 41.96 42.15 3ccz s TYR 533 CO 0.00 -0.38 0.11 1.41 -1.52 0.00 0.00 175.55 175.17 3ccz s MET 534 N -3.32 2.44 -0.14 -3.49 -2.45 -1.26 -4.17 119.30 106.90 3ccz s MET 534 Ca 0.01 -1.37 -0.29 0.00 -1.25 0.00 0.00 55.69 52.79 3ccz s MET 534 Cb 0.03 -3.43 -0.02 0.00 1.25 0.00 0.00 34.83 32.66 3ccz s MET 534 CO -0.08 -0.77 1.37 -1.25 1.05 0.00 0.00 175.02 175.35 3ccz s PRO 535 N 1.31 4.20 -0.27 4.11 0.04 -1.26 -5.01 135.00 138.12 3ccz s PRO 535 Ca -0.00 1.78 -0.07 0.00 0.04 0.00 0.00 61.00 62.75 3ccz s PRO 535 Cb -0.21 -3.83 -0.01 0.00 0.04 0.00 0.00 34.50 30.49 3ccz s PRO 535 CO 0.00 -0.77 0.08 0.42 0.04 0.00 0.00 177.00 176.78 3ccz s ILE 536 N 3.70 4.20 0.15 0.56 -1.09 -1.26 -5.07 121.20 122.38 3ccz s ILE 536 Ca 0.60 -0.40 -0.34 0.00 -2.23 0.00 0.00 60.65 58.27 3ccz s ILE 536 Cb -0.25 -3.06 -0.15 0.00 -1.58 0.00 0.00 42.46 37.43 3ccz s ILE 536 CO 0.19 0.21 1.46 -2.65 -1.23 0.00 0.00 174.94 172.92 3ccz n PRO 537 N 4.91 1.77 -4.36 2.79 -0.02 -1.26 -4.75 135.00 134.08 3ccz n PRO 537 Ca -0.15 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.62 3ccz n PRO 537 Cb 0.50 -2.34 -0.12 0.00 -0.02 0.00 0.00 33.50 31.52 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 0.60 3.79 0.39 -1.45 1.01 -1.26 -1.59 120.40 121.88 3ccz s VAL 538 Ca 0.79 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.46 3ccz s VAL 538 Cb -0.77 -2.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 3ccz s VAL 538 CO 0.43 0.48 0.03 -0.83 0.00 0.00 0.00 175.10 175.21 3ccz s GLY 539 N 0.53 2.34 -0.08 4.51 0.00 -0.48 -4.92 107.32 109.22 3ccz s GLY 539 Ca -0.03 -2.17 0.05 0.00 0.00 0.00 0.00 44.72 42.57 3ccz s GLY 539 CO 0.03 -2.01 -0.24 0.54 0.00 0.00 0.00 173.10 171.41 3ccz s VAL 540 N -2.64 2.08 -0.20 1.40 0.11 -1.26 -0.89 120.40 119.01 3ccz s VAL 540 Ca 0.36 -1.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.38 3ccz s VAL 540 Cb 0.06 -1.77 0.04 0.00 -1.53 0.00 0.00 36.38 33.18 3ccz s VAL 540 CO 0.19 0.56 -0.12 0.00 -3.33 0.00 0.00 175.10 172.40 3ccz s ALA 541 N 0.08 2.14 0.00 1.54 0.00 -0.76 -4.94 121.76 119.82 3ccz s ALA 541 Ca -0.11 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.56 3ccz s ALA 541 Cb -0.16 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.65 3ccz s ALA 541 CO 0.06 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.44 3ccz n GLY 542 N 4.64 -1.21 3.77 0.00 0.00 -1.26 -2.27 105.19 108.85 3ccz n GLY 542 Ca -0.16 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.40 4.36 -0.46 1.61 0.04 -1.26 -4.92 135.00 132.97 3ccz s PRO 543 Ca 0.00 1.57 -0.18 0.00 0.04 0.00 0.00 61.00 62.43 3ccz s PRO 543 Cb 0.00 -2.77 0.04 0.00 0.04 0.00 0.00 34.50 31.81 3ccz s PRO 543 CO 0.00 0.02 0.54 -1.17 0.04 0.00 0.00 177.00 176.43 3ccz s LEU 544 N -2.20 4.94 -0.60 -3.56 2.96 -0.03 -4.66 118.68 115.53 3ccz s LEU 544 Ca 0.53 -0.80 -0.27 0.00 -0.22 0.00 0.00 54.13 53.37 3ccz s LEU 544 Cb -0.25 -2.43 0.03 0.00 0.50 0.00 0.00 46.19 44.05 3ccz s LEU 544 CO 0.31 -0.74 1.14 0.00 -1.32 0.00 0.00 176.35 175.74 3ccz s LEU 546 N 4.80 0.26 -1.33 0.00 2.96 -0.93 -1.01 118.68 123.42 3ccz s LEU 546 Ca 0.38 0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 54.30 3ccz s LEU 546 Cb -0.09 -0.19 0.02 0.00 0.50 0.00 0.00 46.19 46.43 3ccz s LEU 546 CO 0.22 -0.23 0.86 0.47 -1.32 0.00 0.00 176.35 176.35 3ccz n ASP 547 N 5.22 -2.55 -2.06 3.68 8.00 -0.25 -2.16 116.55 126.43 3ccz n ASP 547 Ca -0.05 -0.74 -0.20 0.00 0.71 0.00 0.00 54.79 54.50 3ccz n ASP 547 Cb 0.50 -4.33 -0.04 0.00 -0.02 0.00 0.00 41.12 37.23 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 -4.40 -1.56 -4.54 -1.24 1.02 -1.26 -4.99 120.64 103.67 3ccz n GLU 548 Ca -0.20 1.07 -0.26 0.00 -0.02 0.00 0.00 57.16 57.75 3ccz n GLU 548 Cb 0.64 -5.61 -0.09 0.00 -0.02 0.00 0.00 31.44 26.36 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 -4.56 1.92 -0.05 3.49 1.02 -0.92 -5.16 119.74 115.48 3ccz s LYS 549 Ca 0.00 -2.16 0.01 0.00 0.02 0.00 0.00 55.97 53.84 3ccz s LYS 549 Cb 0.00 -0.83 0.02 0.00 -0.52 0.00 0.00 37.83 36.49 3ccz s LYS 549 CO 0.00 -0.39 -0.08 -1.21 -0.92 0.00 0.00 175.35 172.75 3ccz s GLU 550 N -3.77 1.18 -0.06 1.68 2.02 -1.26 -2.18 118.70 116.31 3ccz s GLU 550 Ca 0.24 -0.23 0.05 0.00 0.02 0.00 0.00 54.97 55.04 3ccz s GLU 550 Cb 0.04 -1.07 -0.00 0.00 0.10 0.00 0.00 34.13 33.19 3ccz s GLU 550 CO 0.13 -0.04 -0.20 -0.06 0.02 0.00 0.00 175.26 175.11 3ccz s PHE 551 N 0.83 2.05 -0.42 1.61 0.40 -0.86 -4.91 117.98 116.68 3ccz s PHE 551 Ca -0.12 -0.65 -0.15 0.00 -0.60 0.00 0.00 56.93 55.41 3ccz s PHE 551 Cb -0.15 -1.37 0.03 0.00 0.51 0.00 0.00 43.02 42.04 3ccz s PHE 551 CO 0.01 -0.23 0.32 -0.65 0.70 0.00 0.00 175.22 175.37 3ccz s GLN 552 N 0.07 2.96 -0.29 0.44 -1.52 -1.26 -0.85 119.66 119.20 3ccz s GLN 552 Ca -0.07 -1.10 -0.16 0.00 -1.95 0.00 0.00 55.36 52.08 3ccz s GLN 552 Cb -0.14 -4.00 -0.03 0.00 -0.22 0.00 0.00 33.01 28.63 3ccz s GLN 552 CO 0.04 -0.81 0.42 0.08 -0.25 0.00 0.00 175.29 174.76 3ccz s VAL 553 N 1.66 5.13 0.31 1.09 1.01 -0.96 -4.51 120.40 124.13 3ccz s VAL 553 Ca 0.05 0.48 -0.27 0.00 0.00 0.00 0.00 61.98 62.24 3ccz s VAL 553 Cb -0.20 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 3ccz s VAL 553 CO 0.09 0.04 0.97 -2.16 0.00 0.00 0.00 175.10 174.04 3ccz s PRO 554 N 2.15 4.60 -0.24 2.72 0.04 -1.26 -1.82 135.00 141.19 3ccz s PRO 554 Ca 0.16 1.43 -0.04 0.00 0.04 0.00 0.00 61.00 62.59 3ccz s PRO 554 Cb -0.16 -2.91 0.10 0.00 0.04 0.00 0.00 34.50 31.56 3ccz s PRO 554 CO 0.11 0.28 0.18 -1.64 0.04 0.00 0.00 177.00 175.96 3ccz s MET 555 N -1.85 0.19 -0.43 4.56 -1.94 -0.06 -4.34 119.30 115.43 3ccz s MET 555 Ca 0.48 -0.18 -0.24 0.00 -1.71 0.00 0.00 55.69 54.05 3ccz s MET 555 Cb -0.22 -1.22 0.02 0.00 2.01 0.00 0.00 34.83 35.42 3ccz s MET 555 CO 0.28 -0.86 0.83 0.00 -0.01 0.00 0.00 175.02 175.26 3ccz s ALA 556 N 2.21 3.32 0.15 3.03 0.00 -0.33 -1.38 121.76 128.76 3ccz s ALA 556 Ca 0.07 -0.83 -0.18 0.00 0.00 0.00 0.00 51.96 51.02 3ccz s ALA 556 Cb -0.16 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.51 3ccz s ALA 556 CO -0.24 -1.83 0.47 -0.08 0.00 0.00 0.00 175.76 174.08 3ccz s THR 557 N 3.37 0.04 -0.07 0.00 -1.32 -0.62 -4.31 115.64 112.74 3ccz s THR 557 Ca 0.33 -0.56 0.10 0.00 -1.21 0.00 0.00 61.69 60.34 3ccz s THR 557 Cb -0.12 -1.29 0.15 0.00 -1.51 0.00 0.00 72.50 69.74 3ccz s THR 557 CO 0.22 -0.20 1.06 0.35 -2.21 0.00 0.00 174.62 173.84 3ccz n THR 558 N -0.29 1.36 -3.16 5.08 -2.24 -1.26 -4.15 114.28 109.62 3ccz n THR 558 Ca -0.14 -1.56 -0.41 0.00 -2.27 0.00 0.00 64.05 59.67 3ccz n THR 558 Cb 0.63 0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.88 3.83 0.33 -0.78 2.12 -1.26 -5.04 118.70 116.03 3ccz s GLU 559 Ca 0.17 0.16 -0.29 0.00 0.36 0.00 0.00 54.97 55.36 3ccz s GLU 559 Cb 0.15 -3.75 -0.11 0.00 0.26 0.00 0.00 34.13 30.68 3ccz s GLU 559 CO 0.02 -0.58 1.51 0.20 -0.54 0.00 0.00 175.26 175.86 3ccz s GLY 560 N 1.68 2.59 0.00 -1.50 0.00 -1.26 -2.80 107.32 106.03 3ccz s GLY 560 Ca 0.23 1.52 0.00 0.00 0.00 0.00 0.00 44.72 46.47 3ccz s GLY 560 CO 0.12 2.34 0.00 0.00 0.00 0.00 0.00 173.10 175.56 3ccz h LEU 562 N 0.00 0.27 -0.38 0.00 5.85 -1.95 -0.81 115.31 118.28 3ccz h LEU 562 Ca 0.00 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 58.23 3ccz h LEU 562 Cb 0.00 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3ccz h LEU 562 CO 0.00 0.61 -0.09 0.58 -0.34 0.00 0.00 178.44 179.19 3ccz h VAL 563 N -0.08 1.28 -0.52 1.05 2.07 -1.91 -1.55 116.25 116.59 3ccz h VAL 563 Ca 0.03 -1.17 -0.09 0.00 0.82 0.00 0.00 66.70 66.29 3ccz h VAL 563 Cb 0.50 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3ccz h VAL 563 CO 0.02 0.39 -0.04 0.00 0.02 0.00 0.00 177.57 177.96 3ccz h ALA 564 N 0.83 0.96 -0.27 1.67 0.00 -1.92 -0.91 119.26 119.63 3ccz h ALA 564 Ca 0.10 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 3ccz h ALA 564 Cb 0.61 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3ccz h ALA 564 CO 0.04 0.62 -0.46 1.03 0.00 0.00 0.00 179.25 180.48 3ccz h SER 565 N 0.82 0.88 0.16 0.00 0.87 -1.09 -2.21 113.55 112.98 3ccz h SER 565 Ca 0.15 -0.52 -0.06 0.00 -1.23 0.00 0.00 61.79 60.12 3ccz h SER 565 Cb 0.54 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3ccz h SER 565 CO 0.03 1.24 -0.23 0.74 -0.53 0.00 0.00 176.83 178.08 3ccz h THR 566 N 0.56 1.20 -0.17 2.23 2.02 -1.17 -2.28 112.91 115.29 3ccz h THR 566 Ca 0.02 -0.95 -0.11 0.00 0.77 0.00 0.00 66.41 66.14 3ccz h THR 566 Cb 1.07 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 3ccz h THR 566 CO 0.11 0.28 -0.37 -1.13 0.37 0.00 0.00 175.52 174.78 3ccz h ASN 567 N 0.13 0.39 -0.24 4.18 -1.24 -0.95 -1.97 115.58 115.88 3ccz h ASN 567 Ca 0.02 -0.16 -0.14 0.00 0.71 0.00 0.00 56.30 56.73 3ccz h ASN 567 Cb 0.48 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 3ccz h ASN 567 CO 0.03 0.73 -0.36 -0.09 -1.29 0.00 0.00 177.43 176.45 3ccz h ARG 568 N 0.32 0.77 -0.35 6.67 2.43 -0.86 -2.00 114.38 121.35 3ccz h ARG 568 Ca 0.03 -0.38 -0.08 0.00 -0.81 0.00 0.00 59.98 58.74 3ccz h ARG 568 Cb 0.80 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 3ccz h ARG 568 CO 0.06 1.01 -0.11 0.78 -1.51 0.00 0.00 179.97 180.20 3ccz h GLY 569 N 0.92 0.66 1.32 2.80 0.00 -1.24 -2.31 103.07 105.23 3ccz h GLY 569 Ca 0.06 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 3ccz h GLY 569 CO 0.08 0.44 -0.07 0.00 0.00 0.00 0.00 176.54 176.99 3ccz h ARG 571 N 0.74 0.81 -0.47 0.00 9.65 -1.01 -1.27 114.38 122.84 3ccz h ARG 571 Ca 0.13 -0.25 -0.12 0.00 -1.10 0.00 0.00 59.98 58.64 3ccz h ARG 571 Cb 0.54 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 3ccz h ARG 571 CO 0.03 0.85 -0.18 0.00 2.80 0.00 0.00 179.97 183.47 3ccz h ALA 572 N 1.19 0.65 -0.54 2.80 0.00 -1.29 -2.26 119.26 119.81 3ccz h ALA 572 Ca 0.13 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3ccz h ALA 572 Cb 0.54 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3ccz h ALA 572 CO 0.03 0.62 -0.03 0.82 0.00 0.00 0.00 179.25 180.68 3ccz h ILE 573 N 0.80 1.26 -0.22 0.00 2.04 -1.28 -2.70 117.51 117.41 3ccz h ILE 573 Ca 0.11 -1.15 -0.14 0.00 1.00 0.00 0.00 64.86 64.68 3ccz h ILE 573 Cb 0.76 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3ccz h ILE 573 CO 0.06 0.41 -0.46 1.23 0.00 0.00 0.00 178.15 179.39 3ccz h GLY 574 N 0.99 0.63 2.00 5.37 0.00 -1.11 -1.41 103.07 109.53 3ccz h GLY 574 Ca 0.15 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3ccz h GLY 574 CO 0.03 0.60 0.00 1.04 0.00 0.00 0.00 176.54 178.21 3ccz n LEU 575 N -4.00 0.81 -1.88 3.11 4.77 -0.86 -3.55 117.00 115.40 3ccz n LEU 575 Ca -0.02 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 3ccz n LEU 575 Cb 0.55 -0.35 0.35 0.00 -2.33 0.00 0.00 43.42 41.63 3ccz n LEU 575 CO 0.46 -0.24 0.95 0.61 -1.33 0.00 0.00 177.39 177.84 3ccz n GLY 576 N 1.12 3.44 1.04 -0.72 0.00 -1.02 -4.88 105.19 104.18 3ccz n GLY 576 Ca 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.13 3.31 0.00 -0.02 0.00 -1.21 -4.57 105.19 102.83 3ccz n GLY 577 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.76 -0.56 3.54 -0.02 0.00 -0.56 -5.00 105.19 100.83 3ccz n GLY 578 Ca 0.00 -2.26 -0.25 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.30 2.90 -0.03 4.61 0.00 -0.18 -4.42 121.76 123.33 3ccz s ALA 579 Ca 0.00 -1.69 0.03 0.00 0.00 0.00 0.00 51.96 50.30 3ccz s ALA 579 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.59 3ccz s ALA 579 CO 0.00 0.33 -0.10 -1.12 0.00 0.00 0.00 175.76 174.87 3ccz s SER 580 N -3.31 1.35 0.11 0.00 0.01 -0.58 -1.09 113.70 110.19 3ccz s SER 580 Ca 0.28 -0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.37 3ccz s SER 580 Cb -0.07 -0.38 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 3ccz s SER 580 CO 0.16 0.07 -0.10 -0.94 0.41 0.00 0.00 173.24 172.84 3ccz s SER 581 N 0.21 1.52 -0.01 2.44 1.04 -1.26 -1.42 113.70 116.22 3ccz s SER 581 Ca -0.04 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.55 3ccz s SER 581 Cb -0.09 0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.04 3ccz s SER 581 CO 0.01 -0.27 -0.01 -0.13 0.98 0.00 0.00 173.24 173.82 3ccz s ARG 582 N -2.97 0.13 -0.30 4.02 1.81 -0.61 -5.00 118.95 116.03 3ccz s ARG 582 Ca 0.07 0.00 -0.23 0.00 -1.72 0.00 0.00 55.73 53.86 3ccz s ARG 582 Cb -0.02 -0.19 -0.00 0.00 -0.45 0.00 0.00 34.95 34.29 3ccz s ARG 582 CO 0.00 -0.02 0.78 0.08 -0.68 0.00 0.00 175.30 175.46 3ccz s VAL 583 N 0.30 4.81 -0.07 3.52 1.01 -1.26 -1.94 120.40 126.77 3ccz s VAL 583 Ca -0.03 1.20 0.14 0.00 0.00 0.00 0.00 61.98 63.30 3ccz s VAL 583 Cb -0.05 -4.13 -0.21 0.00 0.00 0.00 0.00 36.38 32.00 3ccz s VAL 583 CO -0.01 -0.22 0.70 0.18 0.00 0.00 0.00 175.10 175.75 3ccz n LEU 584 N 6.15 0.85 -3.72 3.92 4.77 0.27 -4.99 117.00 124.27 3ccz n LEU 584 Ca 0.04 0.40 -0.10 0.00 -0.03 0.00 0.00 56.01 56.32 3ccz n LEU 584 Cb 0.48 0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 3ccz n LEU 584 CO 0.50 0.32 0.30 0.00 -1.33 0.00 0.00 177.39 177.18 3ccz s ALA 585 N -2.68 -1.02 -0.29 -1.18 0.00 -1.19 -4.96 121.76 110.43 3ccz s ALA 585 Ca -0.04 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.67 3ccz s ALA 585 Cb 0.08 0.86 0.13 0.00 0.00 0.00 0.00 23.12 24.19 3ccz s ALA 585 CO 0.82 -0.82 0.61 0.34 0.00 0.00 0.00 175.76 176.71 3ccz s ASP 586 N -2.87 -1.06 0.00 0.00 2.15 -1.24 -1.81 116.67 111.84 3ccz s ASP 586 Ca 0.09 1.39 0.00 0.00 0.43 0.00 0.00 52.55 54.46 3ccz s ASP 586 Cb -0.01 2.16 0.00 0.00 -0.30 0.00 0.00 42.92 44.77 3ccz s ASP 586 CO -0.03 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 3ccz n GLY 587 N 5.44 0.33 3.76 2.66 0.00 -0.74 -4.25 105.19 112.39 3ccz n GLY 587 Ca -0.10 0.67 -0.35 0.00 0.00 0.00 0.00 46.02 46.23 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 3.05 0.16 1.61 1.75 -0.79 -1.78 119.30 123.31 3ccz s MET 588 Ca 0.00 1.68 0.08 0.00 -1.25 0.00 0.00 55.69 56.20 3ccz s MET 588 Cb 0.00 -1.96 -0.04 0.00 2.84 0.00 0.00 34.83 35.67 3ccz s MET 588 CO 0.00 -1.11 -0.16 0.95 -0.65 0.00 0.00 175.02 174.05 3ccz s THR 589 N -1.78 1.66 -0.02 10.11 -4.23 -1.26 -2.13 115.64 117.99 3ccz s THR 589 Ca 0.74 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 3ccz s THR 589 Cb -0.26 -1.81 0.01 0.00 1.34 0.00 0.00 72.50 71.77 3ccz s THR 589 CO 0.32 -0.42 -0.04 -0.60 -0.54 0.00 0.00 174.62 173.34 3ccz s ARG 590 N -3.00 0.46 -0.56 3.99 6.06 -0.82 -4.90 118.95 120.18 3ccz s ARG 590 Ca 0.16 -0.12 0.07 0.00 -2.50 0.00 0.00 55.73 53.34 3ccz s ARG 590 Cb -0.04 -0.48 0.25 0.00 0.06 0.00 0.00 34.95 34.74 3ccz s ARG 590 CO 0.06 0.03 0.68 0.41 -2.50 0.00 0.00 175.30 173.97 3ccz n GLY 591 N 3.37 4.21 3.69 8.12 0.00 -1.26 -1.27 105.19 122.05 3ccz n GLY 591 Ca -0.18 -2.39 -0.31 0.00 0.00 0.00 0.00 46.02 43.14 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 -2.08 1.19 -0.16 1.61 0.04 -1.12 -0.96 135.00 133.52 3ccz s PRO 592 Ca 0.39 1.50 -0.00 0.00 0.04 0.00 0.00 61.00 62.92 3ccz s PRO 592 Cb 0.16 -1.75 -0.00 0.00 0.04 0.00 0.00 34.50 32.94 3ccz s PRO 592 CO -0.04 -2.49 -0.14 0.54 0.04 0.00 0.00 177.00 174.90 3ccz s VAL 593 N -2.68 2.78 0.44 -0.36 0.11 -0.62 -2.44 120.40 117.63 3ccz s VAL 593 Ca 0.66 -0.73 0.06 0.00 -2.93 0.00 0.00 61.98 59.04 3ccz s VAL 593 Cb -0.22 -2.18 -0.04 0.00 -1.53 0.00 0.00 36.38 32.41 3ccz s VAL 593 CO 0.58 0.51 0.19 0.68 -3.33 0.00 0.00 175.10 173.73 3ccz s VAL 594 N 0.80 2.10 -0.17 2.04 -7.23 -0.71 -2.23 120.40 115.00 3ccz s VAL 594 Ca -0.05 -1.70 -0.07 0.00 -1.81 0.00 0.00 61.98 58.35 3ccz s VAL 594 Cb -0.15 -2.80 0.08 0.00 0.56 0.00 0.00 36.38 34.06 3ccz s VAL 594 CO 0.00 0.00 0.36 -0.13 -0.31 0.00 0.00 175.10 175.03 3ccz s ARG 595 N -3.95 0.27 0.34 4.82 0.52 -0.38 -1.75 118.95 118.82 3ccz s ARG 595 Ca 0.37 0.88 0.07 0.00 -0.52 0.00 0.00 55.73 56.53 3ccz s ARG 595 Cb 0.03 0.14 -0.02 0.00 0.52 0.00 0.00 34.95 35.62 3ccz s ARG 595 CO 0.20 -0.24 0.37 -0.51 0.02 0.00 0.00 175.30 175.14 3ccz s LEU 596 N 2.28 3.75 0.33 2.53 1.02 -0.84 -1.42 118.68 126.33 3ccz s LEU 596 Ca -0.03 -0.37 0.07 0.00 0.02 0.00 0.00 54.13 53.82 3ccz s LEU 596 Cb -0.11 -2.43 0.75 0.00 0.02 0.00 0.00 46.19 44.42 3ccz s LEU 596 CO -0.11 -0.39 1.85 -0.65 0.02 0.00 0.00 176.35 177.07 3ccz h PRO 597 N 1.10 0.75 -4.71 1.29 0.11 -1.87 -3.45 132.00 125.21 3ccz h PRO 597 Ca -0.45 -0.04 -0.26 0.00 0.11 0.00 0.00 66.00 65.36 3ccz h PRO 597 Cb 1.25 -0.17 -0.15 0.00 0.11 0.00 0.00 31.00 32.05 3ccz h PRO 597 CO 0.56 0.49 -0.67 1.03 -0.21 0.00 0.00 178.00 179.21 3ccz s ARG 598 N -5.76 1.02 0.47 1.05 0.52 -1.26 -4.98 118.95 110.01 3ccz s ARG 598 Ca -0.10 -1.48 0.18 0.00 -0.52 0.00 0.00 55.73 53.81 3ccz s ARG 598 Cb 0.22 -0.18 1.12 0.00 0.52 0.00 0.00 34.95 36.64 3ccz s ARG 598 CO 0.79 -0.13 2.01 0.00 0.02 0.00 0.00 175.30 178.00 3ccz h ALA 599 N 2.78 1.58 -0.23 2.13 0.00 -1.86 -2.01 119.26 121.65 3ccz h ALA 599 Ca -0.36 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 3ccz h ALA 599 Cb 1.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3ccz h ALA 599 CO 0.63 0.21 -0.15 0.00 0.00 0.00 0.00 179.25 179.94 3ccz h ASP 601 N 0.36 0.83 0.21 0.00 3.32 -1.82 -2.85 116.42 116.47 3ccz h ASP 601 Ca 0.07 -0.80 -0.07 0.00 0.02 0.00 0.00 57.03 56.24 3ccz h ASP 601 Cb 0.48 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3ccz h ASP 601 CO 0.03 1.54 -0.29 0.77 -1.72 0.00 0.00 179.24 179.57 3ccz h SER 602 N 0.22 0.13 -0.30 6.45 4.64 -1.30 -2.05 113.55 121.35 3ccz h SER 602 Ca -0.16 -0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 61.01 3ccz h SER 602 Cb 1.78 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.82 3ccz h SER 602 CO 0.21 0.43 -0.22 0.00 -0.87 0.00 0.00 176.83 176.38 3ccz h ALA 603 N 1.59 0.87 -0.62 5.18 0.00 -1.36 -1.97 119.26 122.95 3ccz h ALA 603 Ca 0.02 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 3ccz h ALA 603 Cb 0.58 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3ccz h ALA 603 CO 0.04 0.63 0.19 1.49 0.00 0.00 0.00 179.25 181.60 3ccz h GLU 604 N 0.69 0.94 -0.15 0.00 4.81 -1.15 -1.83 114.58 117.89 3ccz h GLU 604 Ca 0.10 -0.18 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 3ccz h GLU 604 Cb 0.73 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3ccz h GLU 604 CO 0.06 0.81 -0.60 0.28 -0.73 0.00 0.00 179.01 178.83 3ccz h VAL 605 N 0.91 1.33 -0.55 0.32 2.07 -1.23 -1.85 116.25 117.25 3ccz h VAL 605 Ca 0.20 -1.88 -0.06 0.00 0.82 0.00 0.00 66.70 65.78 3ccz h VAL 605 Cb 0.27 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3ccz h VAL 605 CO -0.01 0.58 0.09 0.50 0.02 0.00 0.00 177.57 178.76 3ccz h LYS 606 N 0.39 0.91 -0.26 1.57 3.64 -1.13 -1.76 116.57 119.94 3ccz h LYS 606 Ca -0.00 -0.24 -0.12 0.00 -1.27 0.00 0.00 60.65 59.02 3ccz h LYS 606 Cb 1.15 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 3ccz h LYS 606 CO 0.11 0.88 -0.33 0.00 -2.27 0.00 0.00 179.45 177.84 3ccz h ALA 607 N 1.00 0.95 -0.52 5.00 0.00 -1.29 -2.54 119.26 121.86 3ccz h ALA 607 Ca 0.17 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3ccz h ALA 607 Cb 0.40 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3ccz h ALA 607 CO 0.01 0.61 0.03 2.35 0.00 0.00 0.00 179.25 182.25 3ccz h TRP 608 N 0.46 0.98 0.00 0.00 7.01 -1.12 -2.55 115.95 120.73 3ccz h TRP 608 Ca 0.05 -0.16 -0.02 0.00 2.11 0.00 0.00 58.89 60.88 3ccz h TRP 608 Cb 0.80 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 27.59 3ccz h TRP 608 CO 0.03 0.90 -0.08 -0.07 -2.79 0.00 0.00 178.44 176.43 3ccz h LEU 609 N 0.78 0.00 0.00 0.65 3.38 -1.21 -2.99 115.31 115.92 3ccz h LEU 609 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3ccz h LEU 609 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3ccz h LEU 609 CO 0.02 0.08 -0.35 -0.33 0.09 0.00 0.00 178.44 177.95 3ccz h GLU 610 N 0.00 0.00 -7.26 1.13 5.08 -1.04 -3.34 114.58 109.14 3ccz h GLU 610 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 3ccz h GLU 610 Cb 0.55 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.92 3ccz h GLU 610 CO 0.01 0.11 0.34 0.95 -1.00 0.00 0.00 179.01 179.41 3ccz s THR 611 N -3.18 3.21 0.14 1.13 -4.23 -1.07 -4.92 115.64 106.72 3ccz s THR 611 Ca 0.05 0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 60.89 3ccz s THR 611 Cb 0.06 -2.94 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 3ccz s THR 611 CO 0.71 -0.45 1.52 0.77 -0.54 0.00 0.00 174.62 176.64 3ccz h SER 612 N -0.70 0.90 0.78 3.99 4.64 -1.89 -2.33 113.55 118.94 3ccz h SER 612 Ca -0.45 -0.39 -0.19 0.00 -0.47 0.00 0.00 61.79 60.29 3ccz h SER 612 Cb 1.24 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 3ccz h SER 612 CO 0.52 1.09 -0.88 1.05 -0.87 0.00 0.00 176.83 177.74 3ccz h GLU 613 N 0.70 0.06 -0.26 4.77 9.09 -1.93 -2.16 114.58 124.86 3ccz h GLU 613 Ca 0.10 -0.07 -0.11 0.00 0.05 0.00 0.00 59.36 59.33 3ccz h GLU 613 Cb 0.74 0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.86 3ccz h GLU 613 CO 0.06 0.90 -0.27 0.78 0.05 0.00 0.00 179.01 180.53 3ccz h GLY 614 N 2.35 0.69 2.00 1.06 0.00 -1.71 -2.74 103.07 104.73 3ccz h GLY 614 Ca -0.02 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.52 3ccz h GLY 614 CO 0.12 0.64 -0.35 -2.75 0.00 0.00 0.00 176.54 174.20 3ccz h PHE 615 N 0.35 0.00 -0.30 5.60 3.57 -1.46 -2.95 116.94 121.76 3ccz h PHE 615 Ca 0.04 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 3ccz h PHE 615 Cb 0.83 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 3ccz h PHE 615 CO 0.08 0.35 -0.35 0.00 -2.23 0.00 0.00 178.31 176.16 3ccz h ALA 616 N 1.65 0.83 -0.40 2.41 0.00 -1.29 -0.50 119.26 121.96 3ccz h ALA 616 Ca -0.00 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 3ccz h ALA 616 Cb 0.63 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ccz h ALA 616 CO 0.05 0.64 -0.36 0.28 0.00 0.00 0.00 179.25 179.86 3ccz h VAL 617 N 0.56 1.27 -0.02 0.00 2.07 -1.38 -1.92 116.25 116.84 3ccz h VAL 617 Ca 0.06 -1.53 -0.17 0.00 0.82 0.00 0.00 66.70 65.88 3ccz h VAL 617 Cb 0.86 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3ccz h VAL 617 CO 0.07 0.52 -0.74 0.40 0.02 0.00 0.00 177.57 177.84 3ccz h ILE 618 N 0.77 1.47 0.00 4.57 1.08 -1.45 -2.90 117.51 121.05 3ccz h ILE 618 Ca 0.07 -2.37 -0.13 0.00 -0.39 0.00 0.00 64.86 62.04 3ccz h ILE 618 Cb 0.95 2.28 -0.02 0.00 -3.07 0.00 0.00 36.82 36.97 3ccz h ILE 618 CO 0.09 0.69 -0.61 0.50 -0.69 0.00 0.00 178.15 178.13 3ccz h LYS 619 N 0.10 0.00 -0.28 2.37 3.64 -1.04 -2.06 116.57 119.30 3ccz h LYS 619 Ca -0.02 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.21 3ccz h LYS 619 Cb 1.31 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.13 3ccz h LYS 619 CO 0.11 0.61 -0.39 1.49 -2.27 0.00 0.00 179.45 179.00 3ccz h GLU 620 N 0.00 0.76 -0.43 1.90 4.81 -1.26 -1.80 114.58 118.56 3ccz h GLU 620 Ca -0.01 -0.44 -0.15 0.00 -0.13 0.00 0.00 59.36 58.63 3ccz h GLU 620 Cb 1.09 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3ccz h GLU 620 CO 0.08 1.07 -0.31 0.00 -0.73 0.00 0.00 179.01 179.12 3ccz h ALA 621 N 0.68 0.61 -0.10 2.92 0.00 -1.47 -2.68 119.26 119.23 3ccz h ALA 621 Ca 0.03 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3ccz h ALA 621 Cb 0.98 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3ccz h ALA 621 CO 0.09 0.67 0.00 0.35 0.00 0.00 0.00 179.25 180.36 3ccz h PHE 622 N 0.80 0.19 0.00 0.00 3.57 -1.38 -3.16 116.94 116.96 3ccz h PHE 622 Ca 0.08 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3ccz h PHE 622 Cb 0.90 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.59 3ccz h PHE 622 CO 0.06 0.43 0.00 -0.44 -2.23 0.00 0.00 178.31 176.13 3ccz h ASP 623 N -0.10 0.00 1.18 0.41 5.19 -1.37 -3.00 116.42 118.74 3ccz h ASP 623 Ca 0.03 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 3ccz h ASP 623 Cb 0.35 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.86 3ccz h ASP 623 CO 0.01 0.00 -0.03 0.77 -3.12 0.00 0.00 179.24 176.86 3ccz h SER 624 N 0.00 0.00 1.30 6.45 4.64 -1.43 -3.22 113.55 121.29 3ccz h SER 624 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3ccz h SER 624 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 3ccz h SER 624 CO 0.00 0.03 -0.19 0.71 -0.87 0.00 0.00 176.83 176.51 3ccz h THR 625 N 0.00 0.40 -2.17 2.95 1.35 -1.64 -3.46 112.91 110.34 3ccz h THR 625 Ca -0.00 -1.22 -0.07 0.00 -0.55 0.00 0.00 66.41 64.57 3ccz h THR 625 Cb 0.63 1.91 -0.19 0.00 -1.73 0.00 0.00 68.15 68.77 3ccz h THR 625 CO 0.00 0.19 0.11 -0.55 -0.25 0.00 0.00 175.52 175.03 3ccz s SER 626 N -6.16 -0.58 0.30 5.36 0.15 -1.22 -4.98 113.70 106.56 3ccz s SER 626 Ca 0.03 0.61 0.26 0.00 0.70 0.00 0.00 55.95 57.55 3ccz s SER 626 Cb 0.08 0.50 0.91 0.00 -1.71 0.00 0.00 66.02 65.80 3ccz s SER 626 CO 0.65 -0.58 1.76 0.08 1.20 0.00 0.00 173.24 176.35 3ccz h ARG 627 N 3.14 0.00 0.00 5.44 0.11 -1.90 -2.81 114.38 118.36 3ccz h ARG 627 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 3ccz h ARG 627 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 3ccz h ARG 627 CO 0.39 0.00 -0.82 1.19 0.10 0.00 0.00 179.97 180.83 3ccz n PHE 628 N -2.45 0.28 -2.23 4.08 3.01 -1.26 -4.92 117.46 113.97 3ccz n PHE 628 Ca 0.03 0.08 -0.43 0.00 1.01 0.00 0.00 57.45 58.15 3ccz n PHE 628 Cb 0.34 -0.44 -0.02 0.00 -0.01 0.00 0.00 39.48 39.35 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 -3.14 3.48 -0.26 4.37 0.00 -1.06 -4.35 121.76 120.79 3ccz s ALA 629 Ca 0.06 0.51 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 3ccz s ALA 629 Cb 0.15 -3.75 0.09 0.00 0.00 0.00 0.00 23.12 19.61 3ccz s ALA 629 CO 0.76 -1.57 0.09 0.50 0.00 0.00 0.00 175.76 175.54 3ccz s ARG 630 N 4.10 0.49 -0.11 0.00 3.00 -1.26 -4.58 118.95 120.59 3ccz s ARG 630 Ca 0.64 -0.65 -0.30 0.00 -1.00 0.00 0.00 55.73 54.43 3ccz s ARG 630 Cb -0.24 -1.77 -0.02 0.00 0.00 0.00 0.00 34.95 32.92 3ccz s ARG 630 CO 0.24 -0.87 1.22 -1.17 0.00 0.00 0.00 175.30 174.72 3ccz s LEU 631 N 1.87 4.23 0.88 -0.88 2.96 -1.26 -4.06 118.68 122.41 3ccz s LEU 631 Ca 0.06 1.74 -0.09 0.00 -0.22 0.00 0.00 54.13 55.61 3ccz s LEU 631 Cb -0.17 -3.55 0.19 0.00 0.50 0.00 0.00 46.19 43.16 3ccz s LEU 631 CO -0.22 -0.67 1.20 -1.10 -1.32 0.00 0.00 176.35 174.24 3ccz s GLN 632 N 2.84 0.93 0.13 1.98 -0.21 -0.46 -4.99 119.66 119.87 3ccz s GLN 632 Ca 0.55 -0.83 -0.35 0.00 0.02 0.00 0.00 55.36 54.75 3ccz s GLN 632 Cb -0.23 -2.05 -0.15 0.00 1.00 0.00 0.00 33.01 31.58 3ccz s GLN 632 CO 0.18 -2.10 1.51 1.17 -2.12 0.00 0.00 175.29 173.93 3ccz n LYS 633 N -3.41 1.82 -2.49 2.91 4.81 -1.26 -4.71 118.16 115.83 3ccz n LYS 633 Ca 0.16 0.66 -0.37 0.00 -0.87 0.00 0.00 58.31 57.89 3ccz n LYS 633 Cb 0.60 -2.39 -0.04 0.00 0.02 0.00 0.00 35.03 33.23 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 0.82 4.20 -0.23 3.14 1.43 -1.26 -4.78 118.68 122.00 3ccz s LEU 634 Ca 0.81 2.12 -0.03 0.00 -1.03 0.00 0.00 54.13 56.00 3ccz s LEU 634 Cb -0.77 -4.08 0.01 0.00 0.03 0.00 0.00 46.19 41.38 3ccz s LEU 634 CO 0.41 -0.48 -0.06 -2.28 0.23 0.00 0.00 176.35 174.18 3ccz s HIS 635 N -1.55 3.00 0.15 0.29 5.65 -1.19 -5.00 115.29 116.64 3ccz s HIS 635 Ca 0.56 -1.29 0.08 0.00 0.25 0.00 0.00 55.06 54.66 3ccz s HIS 635 Cb -0.25 -2.08 -0.04 0.00 -1.18 0.00 0.00 32.58 29.03 3ccz s HIS 635 CO 0.31 -0.66 -0.06 0.95 -0.65 0.00 0.00 174.74 174.63 3ccz s THR 636 N 1.39 3.47 -0.16 0.89 -4.23 -1.26 -1.28 115.64 114.47 3ccz s THR 636 Ca 0.03 -1.41 -0.06 0.00 -1.18 0.00 0.00 61.69 59.07 3ccz s THR 636 Cb -0.15 -2.69 0.07 0.00 1.34 0.00 0.00 72.50 71.07 3ccz s THR 636 CO -0.04 -0.02 0.34 -0.55 -0.54 0.00 0.00 174.62 173.80 3ccz s SER 637 N -2.62 -0.07 0.19 3.99 0.15 -0.73 -5.00 113.70 109.60 3ccz s SER 637 Ca 0.24 0.77 -0.13 0.00 0.70 0.00 0.00 55.95 57.54 3ccz s SER 637 Cb -0.10 0.89 -0.07 0.00 -1.71 0.00 0.00 66.02 65.03 3ccz s SER 637 CO 0.16 -0.22 0.57 -0.63 1.20 0.00 0.00 173.24 174.32 3ccz s ILE 638 N 2.17 4.86 -0.41 6.45 1.01 -1.26 -1.27 121.20 132.74 3ccz s ILE 638 Ca -0.03 0.72 0.04 0.00 0.00 0.00 0.00 60.65 61.37 3ccz s ILE 638 Cb -0.11 -3.69 0.17 0.00 0.01 0.00 0.00 42.46 38.84 3ccz s ILE 638 CO -0.11 0.09 0.33 0.00 0.00 0.00 0.00 174.94 175.26 3ccz s ALA 639 N -1.64 1.39 0.00 9.38 0.00 -0.91 -4.98 121.76 125.00 3ccz s ALA 639 Ca 0.43 -2.42 0.00 0.00 0.00 0.00 0.00 51.96 49.97 3ccz s ALA 639 Cb -0.13 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.39 3ccz s ALA 639 CO 0.20 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.38 3ccz n GLY 640 N 2.94 1.90 0.10 0.00 0.00 -1.26 -2.33 105.19 106.53 3ccz n GLY 640 Ca 0.28 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 12.59 0.70 -2.69 1.61 1.85 -1.26 -4.24 116.66 125.22 3ccz n ARG 641 Ca 0.00 -0.20 -0.33 0.00 -1.00 0.00 0.00 57.85 56.33 3ccz n ARG 641 Cb 0.00 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.86 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 -2.43 6.83 -0.05 2.89 -0.87 -0.98 -1.98 114.94 118.34 3ccz s ASN 642 Ca 0.31 1.64 -0.02 0.00 -1.57 0.00 0.00 52.86 53.22 3ccz s ASN 642 Cb 0.20 -2.53 0.03 0.00 -0.02 0.00 0.00 41.25 38.94 3ccz s ASN 642 CO 0.46 -0.43 0.05 -0.22 -2.57 0.00 0.00 177.10 174.39 3ccz s LEU 643 N -3.47 0.25 -0.32 0.60 2.96 -0.72 -2.14 118.68 115.84 3ccz s LEU 643 Ca 0.61 0.01 -0.12 0.00 -0.22 0.00 0.00 54.13 54.40 3ccz s LEU 643 Cb -0.09 -0.21 -0.03 0.00 0.50 0.00 0.00 46.19 46.36 3ccz s LEU 643 CO 0.19 -0.24 0.23 -0.31 -1.32 0.00 0.00 176.35 174.90 3ccz s TYR 644 N 2.12 3.23 -0.19 5.38 1.51 -0.40 -1.73 117.35 127.27 3ccz s TYR 644 Ca 0.05 -0.10 -0.04 0.00 -1.01 0.00 0.00 57.07 55.96 3ccz s TYR 644 Cb -0.12 -2.45 -0.02 0.00 -0.11 0.00 0.00 41.96 39.25 3ccz s TYR 644 CO -0.04 -0.30 -0.02 0.42 -1.11 0.00 0.00 175.55 174.50 3ccz s ILE 645 N 1.74 3.79 -0.58 2.71 1.01 -1.02 -1.77 121.20 127.08 3ccz s ILE 645 Ca 0.07 -0.37 -0.10 0.00 0.00 0.00 0.00 60.65 60.24 3ccz s ILE 645 Cb -0.17 -2.70 0.15 0.00 0.01 0.00 0.00 42.46 39.75 3ccz s ILE 645 CO 0.11 0.45 0.47 -0.60 0.00 0.00 0.00 174.94 175.36 3ccz s ARG 646 N 0.87 2.79 0.25 2.79 3.52 -0.40 -3.04 118.95 125.73 3ccz s ARG 646 Ca -0.00 -2.04 -0.30 0.00 -0.13 0.00 0.00 55.73 53.26 3ccz s ARG 646 Cb -0.14 -4.04 -0.09 0.00 -1.56 0.00 0.00 34.95 29.11 3ccz s ARG 646 CO 0.02 -1.23 1.01 -0.06 -0.81 0.00 0.00 175.30 174.23 3ccz s PHE 647 N 0.90 3.81 -0.02 5.12 0.40 -0.40 -3.17 117.98 124.63 3ccz s PHE 647 Ca 0.10 1.82 -0.02 0.00 -0.60 0.00 0.00 56.93 58.23 3ccz s PHE 647 Cb -0.22 -3.11 0.01 0.00 0.51 0.00 0.00 43.02 40.20 3ccz s PHE 647 CO -0.02 0.03 0.05 -1.14 0.70 0.00 0.00 175.22 174.83 3ccz s GLN 648 N -1.21 0.05 -0.17 0.44 0.74 -1.26 -1.94 119.66 116.31 3ccz s GLN 648 Ca 0.43 0.07 -0.30 0.00 0.05 0.00 0.00 55.36 55.61 3ccz s GLN 648 Cb -0.28 0.02 0.13 0.00 1.10 0.00 0.00 33.01 33.97 3ccz s GLN 648 CO 0.36 -0.01 1.00 0.45 -0.55 0.00 0.00 175.29 176.54 3ccz s SER 649 N 0.06 -0.37 0.89 6.67 0.15 -0.90 -1.36 113.70 118.84 3ccz s SER 649 Ca -0.00 0.42 -0.10 0.00 0.70 0.00 0.00 55.95 56.97 3ccz s SER 649 Cb -0.01 0.33 0.13 0.00 -1.71 0.00 0.00 66.02 64.76 3ccz s SER 649 CO -0.00 -0.33 1.12 -0.13 1.20 0.00 0.00 173.24 175.10 3ccz s ARG 650 N -1.03 1.29 -0.10 5.44 0.52 -1.26 -1.88 118.95 121.93 3ccz s ARG 650 Ca -0.01 1.34 0.22 0.00 -0.52 0.00 0.00 55.73 56.76 3ccz s ARG 650 Cb -0.01 -1.77 0.41 0.00 0.52 0.00 0.00 34.95 34.10 3ccz s ARG 650 CO 0.01 -2.38 1.16 -1.13 0.02 0.00 0.00 175.30 172.98 3ccz n SER 651 N -4.04 0.84 0.00 0.23 3.41 -1.26 -4.34 113.62 108.46 3ccz n SER 651 Ca 0.10 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 3ccz n SER 651 Cb 0.53 -0.24 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 -0.02 3.63 0.03 5.00 0.00 -1.26 -2.22 105.19 110.35 3ccz n GLY 652 Ca 0.02 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 5.04 0.70 -4.79 1.61 8.00 -1.26 -3.84 116.55 122.01 3ccz n ASP 653 Ca 0.00 -0.52 -0.33 0.00 0.71 0.00 0.00 54.79 54.65 3ccz n ASP 653 Cb 0.00 0.43 0.01 0.00 -0.02 0.00 0.00 41.12 41.54 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 -2.95 2.72 0.27 2.24 0.00 -0.94 -1.25 121.76 121.85 3ccz s ALA 654 Ca 0.11 0.48 -0.04 0.00 0.00 0.00 0.00 51.96 52.52 3ccz s ALA 654 Cb 0.17 -3.26 0.34 0.00 0.00 0.00 0.00 23.12 20.37 3ccz s ALA 654 CO 0.73 -0.80 1.93 1.98 0.00 0.00 0.00 175.76 179.60 3ccz h MET 655 N 0.61 1.23 0.00 0.00 4.05 -1.76 -3.43 114.93 115.63 3ccz h MET 655 Ca -0.47 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 58.87 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 0.81 0.00 0.41 0.23 0.00 0.00 176.91 178.94 3ccz n GLY 656 N -1.39 0.88 0.26 1.39 0.00 -1.26 -4.68 105.19 100.39 3ccz n GLY 656 Ca 0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 3.22 0.87 -0.17 1.61 2.86 -1.94 -0.54 114.93 120.83 3ccz h MET 657 Ca 0.00 -0.21 -0.15 0.00 -2.06 0.00 0.00 59.70 57.28 3ccz h MET 657 Cb 0.00 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3ccz h MET 657 CO 0.00 0.81 -0.52 -0.97 1.06 0.00 0.00 176.91 177.29 3ccz h ASN 658 N 0.76 0.54 -0.26 1.22 -1.24 -1.99 -2.28 115.58 112.34 3ccz h ASN 658 Ca 0.17 -0.28 -0.11 0.00 0.71 0.00 0.00 56.30 56.79 3ccz h ASN 658 Cb 0.33 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.22 3ccz h ASN 658 CO 0.00 0.97 -0.26 -0.03 -1.29 0.00 0.00 177.43 176.82 3ccz h MET 659 N 0.38 0.63 0.00 6.67 4.05 -1.93 -2.56 114.93 122.17 3ccz h MET 659 Ca 0.01 -0.33 -0.11 0.00 -0.28 0.00 0.00 59.70 58.99 3ccz h MET 659 Cb 1.05 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.84 3ccz h MET 659 CO 0.10 0.93 -0.50 0.82 0.23 0.00 0.00 176.91 178.49 3ccz h ILE 660 N 0.35 1.05 -0.36 1.77 1.08 -1.15 -2.56 117.51 117.69 3ccz h ILE 660 Ca 0.04 -1.95 -0.16 0.00 -0.39 0.00 0.00 64.86 62.40 3ccz h ILE 660 Cb 0.82 2.16 -0.01 0.00 -3.07 0.00 0.00 36.82 36.72 3ccz h ILE 660 CO 0.06 0.49 -0.40 0.28 -0.69 0.00 0.00 178.15 177.90 3ccz h SER 661 N 0.00 0.96 -0.38 1.72 0.02 -1.37 -1.36 113.55 113.13 3ccz h SER 661 Ca -0.01 -0.44 -0.10 0.00 -0.84 0.00 0.00 61.79 60.40 3ccz h SER 661 Cb 1.12 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 3ccz h SER 661 CO 0.07 1.23 -0.15 0.50 -1.14 0.00 0.00 176.83 177.34 3ccz h LYS 662 N 0.73 0.78 -0.09 3.45 3.64 -1.36 -2.11 116.57 121.60 3ccz h LYS 662 Ca 0.06 -0.33 -0.07 0.00 -1.27 0.00 0.00 60.65 59.04 3ccz h LYS 662 Cb 0.99 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 3ccz h LYS 662 CO 0.10 0.94 -0.28 0.78 -2.27 0.00 0.00 179.45 178.72 3ccz h GLY 663 N 0.58 0.18 1.23 5.01 0.00 -1.45 -2.75 103.07 105.87 3ccz h GLY 663 Ca 0.09 -0.13 -0.19 0.00 0.00 0.00 0.00 47.33 47.10 3ccz h GLY 663 CO 0.05 0.12 -0.58 -0.84 0.00 0.00 0.00 176.54 175.29 3ccz h THR 664 N 0.15 1.28 -0.62 4.70 2.02 -1.06 -1.68 112.91 117.71 3ccz h THR 664 Ca 0.02 -1.78 -0.07 0.00 0.77 0.00 0.00 66.41 65.35 3ccz h THR 664 Cb 0.57 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 3ccz h THR 664 CO 0.04 0.57 0.10 -0.33 0.37 0.00 0.00 175.52 176.27 3ccz h GLU 665 N 0.61 1.03 -0.12 6.66 5.08 -1.26 -1.08 114.58 125.49 3ccz h GLU 665 Ca 0.00 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 57.95 3ccz h GLU 665 Cb 1.18 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3ccz h GLU 665 CO 0.12 0.96 -0.50 -0.22 -1.00 0.00 0.00 179.01 178.38 3ccz h LYS 666 N 0.94 0.33 -0.35 2.33 1.63 -1.48 -2.16 116.57 117.81 3ccz h LYS 666 Ca 0.19 -0.19 -0.15 0.00 -0.85 0.00 0.00 60.65 59.64 3ccz h LYS 666 Cb 0.43 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 3ccz h LYS 666 CO 0.01 0.76 -0.38 0.00 -3.45 0.00 0.00 179.45 176.39 3ccz h ALA 667 N 1.21 0.51 0.00 5.00 0.00 -1.06 -2.47 119.26 122.45 3ccz h ALA 667 Ca 0.01 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 3ccz h ALA 667 Cb 0.98 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3ccz h ALA 667 CO 0.08 0.61 -0.56 -0.07 0.00 0.00 0.00 179.25 179.31 3ccz h LEU 668 N 0.67 0.00 -0.59 0.00 3.38 -1.17 -2.04 115.31 115.56 3ccz h LEU 668 Ca 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 3ccz h LEU 668 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3ccz h LEU 668 CO 0.09 0.56 -0.34 -1.28 0.09 0.00 0.00 178.44 177.56 3ccz h SER 669 N 0.00 0.78 -0.35 -0.43 0.87 -1.31 -1.39 113.55 111.72 3ccz h SER 669 Ca -0.01 -0.33 -0.13 0.00 -1.23 0.00 0.00 61.79 60.09 3ccz h SER 669 Cb 1.05 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 3ccz h SER 669 CO 0.07 1.05 -0.28 0.50 -0.53 0.00 0.00 176.83 177.64 3ccz h LYS 670 N 0.62 0.87 0.00 2.24 1.63 -1.26 -2.79 116.57 117.88 3ccz h LYS 670 Ca 0.06 -0.39 -0.06 0.00 -0.85 0.00 0.00 60.65 59.41 3ccz h LYS 670 Cb 0.88 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.48 3ccz h LYS 670 CO 0.08 1.04 -0.28 1.25 -3.45 0.00 0.00 179.45 178.09 3ccz h LEU 671 N 0.74 0.00 -1.28 5.20 5.85 -1.24 -2.78 115.31 121.80 3ccz h LEU 671 Ca 0.09 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 3ccz h LEU 671 Cb 0.83 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3ccz h LEU 671 CO 0.07 0.28 -0.34 -0.74 -0.34 0.00 0.00 178.44 177.37 3ccz h HIS 672 N 0.00 0.00 -0.36 1.25 2.76 -0.97 -1.72 115.15 116.10 3ccz h HIS 672 Ca -0.00 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.09 3ccz h HIS 672 Cb 0.63 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 3ccz h HIS 672 CO 0.00 0.34 -0.06 0.93 -1.30 0.00 0.00 177.93 177.84 3ccz h GLU 673 N 0.00 0.69 0.00 5.26 5.08 -1.44 -2.50 114.58 121.67 3ccz h GLU 673 Ca -0.00 -0.25 -0.16 0.00 -1.00 0.00 0.00 59.36 57.95 3ccz h GLU 673 Cb 0.67 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3ccz h GLU 673 CO 0.04 0.83 -0.74 1.88 -1.00 0.00 0.00 179.01 180.03 3ccz h TYR 674 N 0.49 0.00 -2.79 4.33 -1.99 -1.61 -3.39 116.97 112.01 3ccz h TYR 674 Ca 0.10 0.00 -0.61 0.00 2.00 0.00 0.00 58.73 60.22 3ccz h TYR 674 Cb 0.56 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 38.89 3ccz h TYR 674 CO 0.05 0.74 -0.77 -0.06 -0.00 0.00 0.00 178.16 178.11 3ccz s PHE 675 N -3.08 2.13 0.02 4.88 0.40 -0.66 -4.98 117.98 116.70 3ccz s PHE 675 Ca 0.01 -2.65 0.32 0.00 -0.60 0.00 0.00 56.93 54.01 3ccz s PHE 675 Cb 0.10 -1.77 1.38 0.00 0.51 0.00 0.00 43.02 43.24 3ccz s PHE 675 CO 0.78 -0.73 1.96 -1.00 0.70 0.00 0.00 175.22 176.93 3ccz h PRO 676 N 5.93 0.00 0.00 0.24 0.13 -1.65 -2.63 132.00 134.02 3ccz h PRO 676 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3ccz h PRO 676 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3ccz h PRO 676 CO 0.51 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.67 3ccz n GLU 677 N -2.90 0.01 -2.17 0.86 1.02 -1.26 -4.87 120.64 111.34 3ccz n GLU 677 Ca 0.01 0.02 -0.39 0.00 -0.02 0.00 0.00 57.16 56.77 3ccz n GLU 677 Cb 0.26 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.17 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 -2.99 4.01 -0.15 3.49 1.75 -0.99 -4.50 119.30 119.92 3ccz s MET 678 Ca 0.14 2.00 0.00 0.00 -1.25 0.00 0.00 55.69 56.58 3ccz s MET 678 Cb 0.18 -2.73 0.03 0.00 2.84 0.00 0.00 34.83 35.15 3ccz s MET 678 CO 0.51 -0.40 -0.11 -1.14 -0.65 0.00 0.00 175.02 173.22 3ccz s GLN 679 N -2.25 2.01 -0.72 4.11 0.74 -0.51 -4.96 119.66 118.08 3ccz s GLN 679 Ca 0.57 -0.53 -0.27 0.00 0.05 0.00 0.00 55.36 55.18 3ccz s GLN 679 Cb -0.35 -2.03 0.02 0.00 1.10 0.00 0.00 33.01 31.76 3ccz s GLN 679 CO 0.44 -0.29 1.41 0.42 -0.55 0.00 0.00 175.29 176.72 3ccz s ILE 680 N 1.54 3.64 0.08 -2.34 1.01 -1.26 -1.25 121.20 122.62 3ccz s ILE 680 Ca 0.04 0.35 -0.15 0.00 0.00 0.00 0.00 60.65 60.88 3ccz s ILE 680 Cb -0.13 -4.71 -0.15 0.00 0.01 0.00 0.00 42.46 37.48 3ccz s ILE 680 CO -0.10 -1.66 1.30 0.25 0.00 0.00 0.00 174.94 174.74 3ccz h LEU 681 N 13.77 0.80 -7.05 2.97 5.85 -1.79 -3.46 115.31 126.40 3ccz h LEU 681 Ca -0.27 -0.60 -0.02 0.00 0.84 0.00 0.00 57.88 57.83 3ccz h LEU 681 Cb 1.07 -0.23 -0.22 0.00 0.37 0.00 0.00 40.66 41.65 3ccz h LEU 681 CO 1.27 1.26 -0.00 0.00 -0.34 0.00 0.00 178.44 180.63 3ccz s ALA 682 N -3.86 -1.69 0.42 1.25 0.00 -1.10 -5.03 121.76 111.75 3ccz s ALA 682 Ca -0.12 2.11 0.24 0.00 0.00 0.00 0.00 51.96 54.20 3ccz s ALA 682 Cb 0.08 -1.24 1.31 0.00 0.00 0.00 0.00 23.12 23.27 3ccz s ALA 682 CO 0.86 -0.34 2.04 -0.24 0.00 0.00 0.00 175.76 178.08 3ccz h VAL 683 N 4.73 0.72 -3.62 0.00 3.04 -1.89 -1.66 116.25 117.57 3ccz h VAL 683 Ca -0.30 -0.59 -0.65 0.00 -1.01 0.00 0.00 66.70 64.14 3ccz h VAL 683 Cb 1.20 1.36 -0.37 0.00 -2.01 0.00 0.00 31.29 31.48 3ccz h VAL 683 CO 0.15 0.14 -0.81 -0.55 -1.01 0.00 0.00 177.57 175.49 3ccz s SER 684 N -6.37 3.94 -0.36 3.17 0.15 -1.26 -2.79 113.70 110.18 3ccz s SER 684 Ca -0.03 -1.15 0.08 0.00 0.70 0.00 0.00 55.95 55.55 3ccz s SER 684 Cb 0.14 -1.42 0.65 0.00 -1.71 0.00 0.00 66.02 63.67 3ccz s SER 684 CO 0.62 -0.16 1.76 0.61 1.20 0.00 0.00 173.24 177.26 3ccz n GLY 685 N 4.54 4.31 2.48 9.45 0.00 -0.14 -4.77 105.19 121.07 3ccz n GLY 685 Ca -0.15 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.80 -5.11 -1.14 1.61 4.13 -1.25 -4.82 115.26 107.88 3ccz n ASN 686 Ca 0.46 0.36 0.11 0.00 1.68 0.00 0.00 54.58 57.19 3ccz n ASN 686 Cb 1.40 -4.16 0.24 0.00 -1.54 0.00 0.00 39.78 35.73 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 -2.72 0.67 0.21 3.10 9.36 -1.19 -4.64 117.16 121.94 3ccz n TYR 687 Ca -0.18 -0.37 -0.13 0.00 3.32 0.00 0.00 57.90 60.53 3ccz n TYR 687 Cb 0.59 -0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.22 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 -4.56 4.77 -0.22 0.00 2.01 -1.26 -4.73 115.64 111.64 3ccz s THR 689 Ca -0.14 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 61.73 3ccz s THR 689 Cb 0.02 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 3ccz s THR 689 CO 0.50 0.60 0.05 -0.62 -0.69 0.00 0.00 174.62 174.45 3ccz s ASP 690 N -0.81 5.14 -1.81 3.53 2.15 -1.26 -4.63 116.67 118.99 3ccz s ASP 690 Ca 0.13 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.96 3ccz s ASP 690 Cb -0.12 -1.90 0.00 0.00 -0.30 0.00 0.00 42.92 40.60 3ccz s ASP 690 CO 0.03 0.04 0.00 0.29 -0.17 0.00 0.00 175.17 175.36 3ccz n LYS 691 N 4.42 -1.20 -4.13 4.34 5.02 -1.26 -4.98 118.16 120.37 3ccz n LYS 691 Ca -0.16 1.10 -0.16 0.00 -2.02 0.00 0.00 58.31 57.06 3ccz n LYS 691 Cb 0.52 -5.33 -0.12 0.00 -0.02 0.00 0.00 35.03 30.08 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 -3.44 0.71 0.24 1.97 3.01 -1.26 -4.93 119.74 116.04 3ccz s LYS 692 Ca 0.00 -0.89 -0.30 0.00 -1.01 0.00 0.00 55.97 53.77 3ccz s LYS 692 Cb 0.00 -0.61 -0.10 0.00 -1.01 0.00 0.00 37.83 36.11 3ccz s LYS 692 CO 0.00 0.13 1.40 -1.25 0.51 0.00 0.00 175.35 176.14 3ccz s PRO 693 N -1.72 4.30 -0.27 -1.68 0.04 -1.26 -4.71 135.00 129.69 3ccz s PRO 693 Ca -0.05 2.24 -0.17 0.00 0.04 0.00 0.00 61.00 63.06 3ccz s PRO 693 Cb -0.10 -3.12 0.08 0.00 0.04 0.00 0.00 34.50 31.40 3ccz s PRO 693 CO 0.01 -0.37 0.69 0.00 0.04 0.00 0.00 177.00 177.37 3ccz s ALA 694 N -0.06 -1.84 0.46 8.56 0.00 -1.26 -5.03 121.76 122.59 3ccz s ALA 694 Ca 0.58 2.33 0.25 0.00 0.00 0.00 0.00 51.96 55.13 3ccz s ALA 694 Cb -0.41 -1.37 1.45 0.00 0.00 0.00 0.00 23.12 22.79 3ccz s ALA 694 CO 0.43 -0.37 2.10 0.00 0.00 0.00 0.00 175.76 177.92 3ccz h ALA 695 N 6.66 1.41 -0.42 0.00 0.00 -1.95 -2.76 119.26 122.21 3ccz h ALA 695 Ca -0.30 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 3ccz h ALA 695 Cb 1.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3ccz h ALA 695 CO 0.15 0.13 -0.05 0.97 0.00 0.00 0.00 179.25 180.45 3ccz h ILE 696 N 0.00 1.24 -0.28 0.00 2.10 -1.98 -1.06 117.51 117.54 3ccz h ILE 696 Ca -0.00 -1.03 -0.12 0.00 1.08 0.00 0.00 64.86 64.80 3ccz h ILE 696 Cb 0.26 0.97 -0.01 0.00 -1.09 0.00 0.00 36.82 36.95 3ccz h ILE 696 CO 0.01 0.35 -0.31 0.78 -1.08 0.00 0.00 178.15 177.90 3ccz h ASN 697 N 0.66 0.60 -0.55 2.19 2.35 -1.78 -0.56 115.58 118.49 3ccz h ASN 697 Ca 0.13 -0.24 -0.09 0.00 -0.55 0.00 0.00 56.30 55.55 3ccz h ASN 697 Cb 0.48 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 3ccz h ASN 697 CO 0.02 0.88 -0.01 -0.25 -1.65 0.00 0.00 177.43 176.43 3ccz h TRP 698 N 0.50 1.07 0.06 1.19 2.91 -1.40 -1.40 115.95 118.88 3ccz h TRP 698 Ca 0.06 -0.19 -0.30 0.00 1.13 0.00 0.00 58.89 59.59 3ccz h TRP 698 Cb 0.79 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 29.13 3ccz h TRP 698 CO 0.03 0.97 -1.67 -0.89 -1.03 0.00 0.00 178.44 175.85 3ccz n ILE 699 N -4.25 1.65 0.05 2.65 5.41 -0.45 -4.39 119.36 120.03 3ccz n ILE 699 Ca 0.02 -0.33 0.01 0.00 1.00 0.00 0.00 62.75 63.45 3ccz n ILE 699 Cb 0.34 -1.89 -0.06 0.00 -0.71 0.00 0.00 39.64 37.32 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 -1.25 -3.51 114.58 114.08 3ccz h GLU 700 Ca -0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.30 3ccz h GLU 700 Cb 1.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 3ccz h GLU 700 CO -0.08 0.31 0.00 0.41 -1.16 0.00 0.00 179.01 178.48 3ccz n GLY 701 N 1.35 -0.96 3.15 -3.84 0.00 -0.53 -5.03 105.19 99.34 3ccz n GLY 701 Ca -0.07 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.59 0.28 6.99 1.61 3.52 -1.14 -4.75 118.95 121.88 3ccz s ARG 702 Ca 0.00 0.70 0.00 0.00 -0.13 0.00 0.00 55.73 56.30 3ccz s ARG 702 Cb 0.00 -0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.35 3ccz s ARG 702 CO 0.00 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.72 3ccz n GLY 703 N 4.45 2.02 3.64 8.12 0.00 -0.73 -3.45 105.19 119.24 3ccz n GLY 703 Ca -0.21 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 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 4.14 -0.11 1.61 -0.14 -0.17 -1.80 119.74 123.27 3ccz s LYS 704 Ca 0.00 0.44 -0.17 0.00 -1.36 0.00 0.00 55.97 54.88 3ccz s LYS 704 Cb 0.00 -3.61 -0.04 0.00 -1.68 0.00 0.00 37.83 32.50 3ccz s LYS 704 CO 0.00 -0.27 0.44 -1.12 -0.76 0.00 0.00 175.35 173.64 3ccz s SER 705 N 1.33 6.65 0.02 2.83 0.01 -0.75 -1.26 113.70 122.54 3ccz s SER 705 Ca 0.24 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.28 3ccz s SER 705 Cb -0.16 -2.27 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 3ccz s SER 705 CO 0.09 0.05 -0.04 -0.69 0.41 0.00 0.00 173.24 173.06 3ccz s VAL 706 N 0.45 0.19 0.03 3.43 1.01 -0.17 -0.56 120.40 124.76 3ccz s VAL 706 Ca 0.24 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3ccz s VAL 706 Cb -0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 3ccz s VAL 706 CO 0.09 -0.40 -0.11 0.54 0.00 0.00 0.00 175.10 175.23 3ccz s VAL 707 N -1.23 0.85 0.03 2.92 0.11 -0.82 -0.77 120.40 121.49 3ccz s VAL 707 Ca -0.12 -0.84 -0.00 0.00 -2.93 0.00 0.00 61.98 58.08 3ccz s VAL 707 Cb -0.09 -0.79 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 3ccz s VAL 707 CO -0.01 -0.04 -0.03 0.00 -3.33 0.00 0.00 175.10 171.70 3ccz s GLU 709 N -2.50 1.13 -0.04 0.00 -1.05 -0.51 -1.42 118.70 114.31 3ccz s GLU 709 Ca -0.06 -0.67 -0.29 0.00 -0.15 0.00 0.00 54.97 53.80 3ccz s GLU 709 Cb -0.02 0.50 0.10 0.00 -0.44 0.00 0.00 34.13 34.26 3ccz s GLU 709 CO -0.05 -0.45 0.84 0.00 0.95 0.00 0.00 175.26 176.55 3ccz s ALA 710 N -3.80 -1.81 -0.19 -0.84 0.00 -0.74 -1.53 121.76 112.86 3ccz s ALA 710 Ca 0.03 1.17 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 3ccz s ALA 710 Cb 0.01 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.21 3ccz s ALA 710 CO -0.12 -0.53 -0.14 0.08 0.00 0.00 0.00 175.76 175.05 3ccz s VAL 711 N -2.25 2.61 -0.32 0.00 1.01 -1.26 -1.64 120.40 118.54 3ccz s VAL 711 Ca -0.01 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 3ccz s VAL 711 Cb -0.01 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 3ccz s VAL 711 CO -0.03 0.50 0.21 -0.63 0.00 0.00 0.00 175.10 175.15 3ccz s ILE 712 N 1.22 5.09 0.57 2.22 -1.09 -0.61 -4.62 121.20 123.99 3ccz s ILE 712 Ca 0.03 -0.23 -0.19 0.00 -2.23 0.00 0.00 60.65 58.03 3ccz s ILE 712 Cb -0.14 -3.59 -0.07 0.00 -1.58 0.00 0.00 42.46 37.08 3ccz s ILE 712 CO -0.07 0.04 0.74 -2.65 -1.23 0.00 0.00 174.94 171.78 3ccz n PRO 713 N 5.07 0.72 -0.09 2.79 -0.02 -1.26 -1.55 135.00 140.66 3ccz n PRO 713 Ca -0.13 0.28 0.04 0.00 -2.02 0.00 0.00 63.50 61.67 3ccz n PRO 713 Cb 0.50 -1.92 0.37 0.00 -0.02 0.00 0.00 33.50 32.43 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 0.44 1.65 -0.70 3.55 0.00 -1.93 -1.35 119.26 120.92 3ccz h ALA 714 Ca -0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3ccz h ALA 714 Cb 1.38 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3ccz h ALA 714 CO 0.49 0.31 0.38 -0.22 0.00 0.00 0.00 179.25 180.21 3ccz h LYS 715 N 0.71 0.97 -0.13 0.00 3.64 -1.91 -2.48 116.57 117.37 3ccz h LYS 715 Ca 0.21 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 3ccz h LYS 715 Cb -0.01 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3ccz h LYS 715 CO -0.05 0.73 -0.52 0.28 -2.27 0.00 0.00 179.45 177.62 3ccz h VAL 716 N 0.96 1.34 -0.25 2.00 2.07 -1.62 -1.84 116.25 118.90 3ccz h VAL 716 Ca 0.25 -1.78 -0.07 0.00 0.82 0.00 0.00 66.70 65.91 3ccz h VAL 716 Cb 0.04 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3ccz h VAL 716 CO -0.04 0.54 -0.17 0.58 0.02 0.00 0.00 177.57 178.50 3ccz h VAL 717 N 0.29 1.23 0.05 2.57 2.07 -1.15 -1.97 116.25 119.34 3ccz h VAL 717 Ca 0.01 -1.06 -0.12 0.00 0.82 0.00 0.00 66.70 66.35 3ccz h VAL 717 Cb 1.01 1.23 0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3ccz h VAL 717 CO 0.09 0.34 -0.49 -0.09 0.02 0.00 0.00 177.57 177.43 3ccz h ARG 718 N 0.40 0.24 0.12 1.57 2.43 -1.26 -2.53 114.38 115.35 3ccz h ARG 718 Ca 0.07 -0.33 -0.24 0.00 -0.81 0.00 0.00 59.98 58.67 3ccz h ARG 718 Cb 0.53 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3ccz h ARG 718 CO 0.03 1.09 -1.21 0.93 -1.51 0.00 0.00 179.97 179.31 3ccz h GLU 719 N -0.45 0.25 0.01 0.20 5.08 -1.36 -2.86 114.58 115.45 3ccz h GLU 719 Ca -0.08 -0.43 -0.12 0.00 -1.00 0.00 0.00 59.36 57.73 3ccz h GLU 719 Cb 1.31 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.70 3ccz h GLU 719 CO 0.09 1.21 -0.67 0.28 -1.00 0.00 0.00 179.01 178.92 3ccz h VAL 720 N -0.35 1.34 -0.01 3.13 2.07 -1.57 -3.39 116.25 117.48 3ccz h VAL 720 Ca -0.25 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 64.99 3ccz h VAL 720 Cb 1.70 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 34.29 3ccz h VAL 720 CO 0.08 0.48 -0.40 0.18 0.02 0.00 0.00 177.57 177.93 3ccz n LEU 721 N -4.49 0.92 -3.66 2.57 4.77 -1.17 -4.97 117.00 110.98 3ccz n LEU 721 Ca -0.21 -0.23 -0.24 0.00 -0.03 0.00 0.00 56.01 55.30 3ccz n LEU 721 Cb 0.60 -0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.61 3ccz n LEU 721 CO 0.27 0.19 0.18 0.29 -1.33 0.00 0.00 177.39 176.99 3ccz n LYS 722 N -0.94 -7.06 -1.01 3.23 4.76 -0.98 -4.68 118.16 111.49 3ccz n LYS 722 Ca 0.09 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.30 3ccz n LYS 722 Cb 0.35 -5.75 0.00 0.00 -1.84 0.00 0.00 35.03 27.79 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 -4.77 0.00 -4.48 -0.18 5.66 -1.04 -4.73 114.28 104.74 3ccz n THR 723 Ca -0.04 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.72 3ccz n THR 723 Cb 0.57 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.25 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 -2.77 2.18 0.23 1.09 -4.23 -1.26 -3.42 115.64 107.46 3ccz s THR 724 Ca 0.00 -2.27 -0.06 0.00 -1.18 0.00 0.00 61.69 58.19 3ccz s THR 724 Cb 0.00 -2.43 0.16 0.00 1.34 0.00 0.00 72.50 71.57 3ccz s THR 724 CO 0.00 -0.33 1.80 0.74 -0.54 0.00 0.00 174.62 176.29 3ccz h THR 725 N 2.20 1.25 -0.73 3.99 2.02 -1.92 -2.22 112.91 117.51 3ccz h THR 725 Ca -0.41 -0.82 -0.04 0.00 0.77 0.00 0.00 66.41 65.91 3ccz h THR 725 Cb 1.25 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 3ccz h THR 725 CO 0.65 0.33 0.29 -0.08 0.37 0.00 0.00 175.52 177.08 3ccz h GLU 726 N 1.06 1.09 -0.18 6.66 4.81 -1.95 -2.09 114.58 123.99 3ccz h GLU 726 Ca 0.24 -0.20 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 3ccz h GLU 726 Cb 0.24 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3ccz h GLU 726 CO -0.02 0.90 -0.46 0.00 -0.73 0.00 0.00 179.01 178.71 3ccz h ALA 727 N 1.14 0.88 -0.40 2.92 0.00 -1.93 -2.52 119.26 119.35 3ccz h ALA 727 Ca 0.24 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 3ccz h ALA 727 Cb 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ccz h ALA 727 CO -0.02 0.65 -0.33 0.52 0.00 0.00 0.00 179.25 180.07 3ccz h MET 728 N 0.36 0.93 -0.35 0.00 2.86 -1.18 -2.39 114.93 115.16 3ccz h MET 728 Ca 0.02 -0.46 -0.13 0.00 -2.06 0.00 0.00 59.70 57.07 3ccz h MET 728 Cb 0.94 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 3ccz h MET 728 CO 0.08 1.12 -0.29 0.82 1.06 0.00 0.00 176.91 179.71 3ccz h ILE 729 N 0.75 1.28 -0.47 -1.22 2.04 -1.36 -1.70 117.51 116.83 3ccz h ILE 729 Ca 0.07 -1.42 -0.13 0.00 1.00 0.00 0.00 64.86 64.38 3ccz h ILE 729 Cb 0.92 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 3ccz h ILE 729 CO 0.09 0.47 -0.22 -0.08 0.00 0.00 0.00 178.15 178.40 3ccz h GLU 730 N 0.64 0.98 -0.22 2.37 4.57 -1.38 -1.84 114.58 119.69 3ccz h GLU 730 Ca 0.08 -0.43 -0.17 0.00 -1.18 0.00 0.00 59.36 57.66 3ccz h GLU 730 Cb 0.81 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.36 3ccz h GLU 730 CO 0.07 1.10 -0.55 0.28 -1.18 0.00 0.00 179.01 178.73 3ccz h VAL 731 N 0.83 1.31 -0.49 0.32 2.07 -1.40 -2.71 116.25 116.18 3ccz h VAL 731 Ca 0.11 -1.78 -0.07 0.00 0.82 0.00 0.00 66.70 65.78 3ccz h VAL 731 Cb 0.80 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 3ccz h VAL 731 CO 0.07 0.56 0.04 -1.13 0.02 0.00 0.00 177.57 177.13 3ccz h ASN 732 N 0.51 0.80 -0.26 0.57 -1.24 -1.16 -0.05 115.58 114.74 3ccz h ASN 732 Ca 0.01 -0.28 -0.02 0.00 0.71 0.00 0.00 56.30 56.72 3ccz h ASN 732 Cb 1.11 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.94 3ccz h ASN 732 CO 0.11 0.89 0.09 0.40 -1.29 0.00 0.00 177.43 177.63 3ccz h ILE 733 N 0.69 1.19 0.00 2.57 2.04 -1.37 -1.88 117.51 120.75 3ccz h ILE 733 Ca 0.14 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3ccz h ILE 733 Cb 0.45 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3ccz h ILE 733 CO 0.02 0.20 -0.49 0.59 0.00 0.00 0.00 178.15 178.47 3ccz n ASN 734 N -4.74 0.50 -0.02 1.72 3.02 -1.02 -1.20 115.26 113.51 3ccz n ASN 734 Ca -0.03 -0.09 -0.04 0.00 -0.03 0.00 0.00 54.58 54.40 3ccz n ASN 734 Cb 0.15 0.16 -0.01 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.65 0.21 0.21 3.52 4.81 -0.04 -2.31 118.16 122.90 3ccz n LYS 735 Ca 0.05 0.08 0.09 0.00 -0.87 0.00 0.00 58.31 57.66 3ccz n LYS 735 Cb 0.36 -0.79 0.42 0.00 0.02 0.00 0.00 35.03 35.04 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 -0.39 0.00 0.00 3.14 2.35 -1.47 -1.94 115.58 117.26 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 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3ccz h ASN 736 CO 0.00 0.26 -0.38 0.18 -1.65 0.00 0.00 177.43 175.84 3ccz n LEU 737 N -3.41 0.85 -0.10 1.61 4.77 -1.11 -4.17 117.00 115.43 3ccz n LEU 737 Ca 0.00 0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 55.98 3ccz n LEU 737 Cb 0.45 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3ccz n LEU 737 CO 0.34 -0.44 0.53 0.58 -1.33 0.00 0.00 177.39 177.07 3ccz h VAL 738 N -0.38 1.28 -0.20 4.08 2.07 -1.34 -1.56 116.25 120.20 3ccz h VAL 738 Ca 0.00 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 3ccz h VAL 738 Cb 0.38 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3ccz h VAL 738 CO 0.00 0.52 0.08 1.23 0.02 0.00 0.00 177.57 179.42 3ccz h GLY 739 N 0.66 0.32 1.76 2.17 0.00 -1.06 -0.83 103.07 106.10 3ccz h GLY 739 Ca 0.05 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 3ccz h GLY 739 CO 0.10 0.16 -0.21 1.76 0.00 0.00 0.00 176.54 178.35 3ccz h SER 740 N 0.17 0.28 -0.40 0.19 0.02 -1.38 -2.25 113.55 110.17 3ccz h SER 740 Ca 0.07 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 3ccz h SER 740 Cb 0.18 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3ccz h SER 740 CO -0.01 0.50 0.05 0.00 -1.14 0.00 0.00 176.83 176.24 3ccz h ALA 741 N 1.52 0.53 0.00 3.77 0.00 -1.00 -1.78 119.26 122.31 3ccz h ALA 741 Ca 0.04 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3ccz h ALA 741 Cb 0.53 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3ccz h ALA 741 CO 0.04 0.26 -0.28 0.52 0.00 0.00 0.00 179.25 179.79 3ccz h MET 742 N 0.51 0.00 -0.00 0.00 2.86 -0.89 -2.41 114.93 115.01 3ccz h MET 742 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3ccz h MET 742 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3ccz h MET 742 CO 0.01 0.28 -0.06 0.00 1.06 0.00 0.00 176.91 178.21 3ccz n ALA 743 N -2.47 2.52 -2.49 6.32 0.00 -0.87 -4.93 120.51 118.59 3ccz n ALA 743 Ca -0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 3ccz n ALA 743 Cb 0.33 -1.43 0.02 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 1.43 0.39 3.83 0.00 0.00 -0.91 -5.03 105.19 104.91 3ccz n GLY 744 Ca 0.09 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.22 6.86 -0.31 1.61 0.15 -0.70 -5.06 113.70 113.04 3ccz s SER 745 Ca 0.05 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.73 3ccz s SER 745 Cb -0.02 -2.27 0.06 0.00 -1.71 0.00 0.00 66.02 62.08 3ccz s SER 745 CO 0.17 0.31 -0.00 -0.63 1.20 0.00 0.00 173.24 174.28 3ccz s ILE 746 N -1.04 2.72 0.00 6.45 -1.09 -1.26 -4.70 121.20 122.28 3ccz s ILE 746 Ca 0.25 -1.63 0.00 0.00 -2.23 0.00 0.00 60.65 57.04 3ccz s ILE 746 Cb -0.17 -2.66 0.00 0.00 -1.58 0.00 0.00 42.46 38.05 3ccz s ILE 746 CO 0.14 -0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.26 3ccz n GLY 747 N 4.53 0.78 2.62 6.18 0.00 -1.26 -4.92 105.19 113.11 3ccz n GLY 747 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.02 5.77 2.58 -0.02 0.00 -1.26 -1.68 105.19 108.56 3ccz n GLY 748 Ca 0.00 -2.52 -0.37 0.00 0.00 0.00 0.00 46.02 43.13 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 -0.63 2.43 -3.98 1.61 4.02 -0.87 -4.82 117.16 114.93 3ccz n TYR 749 Ca 0.52 -2.47 -0.09 0.00 -0.01 0.00 0.00 57.90 55.85 3ccz n TYR 749 Cb 0.47 -1.49 -0.04 0.00 -0.02 0.00 0.00 39.34 38.26 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 -0.21 -0.00 -0.11 7.72 2.20 -1.24 -1.31 114.94 121.98 3ccz s ASN 750 Ca 0.52 -0.96 -0.03 0.00 -0.94 0.00 0.00 52.86 51.44 3ccz s ASN 750 Cb 0.27 0.63 -0.01 0.00 -2.00 0.00 0.00 41.25 40.14 3ccz s ASN 750 CO -0.18 -1.22 -0.06 0.00 -2.94 0.00 0.00 177.10 172.69 3ccz h ALA 751 N 2.19 0.00 -0.10 3.54 0.00 -1.94 -3.46 119.26 119.49 3ccz h ALA 751 Ca -0.26 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.26 3ccz h ALA 751 Cb 1.25 0.18 -0.18 0.00 0.00 0.00 0.00 17.79 19.04 3ccz h ALA 751 CO 0.34 0.18 -0.43 -2.39 0.00 0.00 0.00 179.25 176.96 3ccz n HIS 752 N -4.67 -1.85 -0.29 0.00 1.44 -1.26 -4.95 115.22 103.64 3ccz n HIS 752 Ca -0.03 -1.93 0.17 0.00 -2.01 0.00 0.00 57.72 53.93 3ccz n HIS 752 Cb 0.09 1.34 0.45 0.00 0.12 0.00 0.00 29.99 31.99 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 1.75 2.04 -0.32 1.59 0.00 -1.89 -1.67 119.26 120.76 3ccz h ALA 753 Ca -0.32 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3ccz h ALA 753 Cb 1.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3ccz h ALA 753 CO -0.06 -0.36 0.15 0.00 0.00 0.00 0.00 179.25 178.98 3ccz h ALA 754 N 1.62 1.66 -0.38 0.00 0.00 -1.93 -1.28 119.26 118.95 3ccz h ALA 754 Ca 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3ccz h ALA 754 Cb 1.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3ccz h ALA 754 CO -0.25 0.28 0.24 -0.91 0.00 0.00 0.00 179.25 178.62 3ccz h ASN 755 N 0.45 0.44 -0.08 0.00 2.35 -1.71 -1.52 115.58 115.52 3ccz h ASN 755 Ca 0.11 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 3ccz h ASN 755 Cb 0.06 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.33 3ccz h ASN 755 CO -0.02 0.34 -0.39 0.40 -1.65 0.00 0.00 177.43 176.11 3ccz h ILE 756 N 0.51 1.40 -0.26 2.81 5.03 -1.51 -2.56 117.51 122.93 3ccz h ILE 756 Ca 0.14 -1.77 0.03 0.00 -0.12 0.00 0.00 64.86 63.14 3ccz h ILE 756 Cb -0.04 2.29 -0.03 0.00 -3.03 0.00 0.00 36.82 36.01 3ccz h ILE 756 CO -0.03 0.52 0.09 0.58 -0.68 0.00 0.00 178.15 178.62 3ccz h VAL 757 N -0.06 0.93 -0.73 1.67 2.07 -1.27 -1.83 116.25 117.02 3ccz h VAL 757 Ca -0.03 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3ccz h VAL 757 Cb 1.04 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3ccz h VAL 757 CO 0.08 0.04 0.31 0.74 0.02 0.00 0.00 177.57 178.76 3ccz h THR 758 N 0.20 1.25 -0.37 2.57 2.02 -1.33 -0.49 112.91 116.76 3ccz h THR 758 Ca 0.12 -0.75 -0.08 0.00 0.77 0.00 0.00 66.41 66.47 3ccz h THR 758 Cb 0.09 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 3ccz h THR 758 CO -0.12 0.30 -0.07 0.00 0.37 0.00 0.00 175.52 176.00 3ccz h ALA 759 N 1.15 0.50 -0.30 6.16 0.00 -1.22 -2.18 119.26 123.38 3ccz h ALA 759 Ca 0.25 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3ccz h ALA 759 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ccz h ALA 759 CO -0.02 0.34 -0.34 0.82 0.00 0.00 0.00 179.25 180.05 3ccz h ILE 760 N 0.50 1.29 -0.39 0.00 2.04 -1.24 -0.80 117.51 118.90 3ccz h ILE 760 Ca 0.10 -1.49 -0.05 0.00 1.00 0.00 0.00 64.86 64.41 3ccz h ILE 760 Cb 0.58 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3ccz h ILE 760 CO 0.03 0.48 0.03 1.88 0.00 0.00 0.00 178.15 180.58 3ccz h TYR 761 N 0.56 0.71 -0.49 1.37 -1.99 -0.93 -1.20 116.97 115.00 3ccz h TYR 761 Ca 0.06 -0.11 -0.12 0.00 2.00 0.00 0.00 58.73 60.55 3ccz h TYR 761 Cb 0.85 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.38 3ccz h TYR 761 CO 0.04 0.72 -0.18 0.82 -0.00 0.00 0.00 178.16 179.56 3ccz h ILE 762 N 0.50 1.27 -0.15 -2.88 2.04 -1.43 0.02 117.51 116.88 3ccz h ILE 762 Ca 0.11 -1.34 -0.08 0.00 1.00 0.00 0.00 64.86 64.55 3ccz h ILE 762 Cb 0.42 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3ccz h ILE 762 CO 0.01 0.46 -0.27 0.00 0.00 0.00 0.00 178.15 178.36 3ccz h ALA 763 N 0.93 1.26 -0.36 1.87 0.00 -1.33 -3.26 119.26 118.37 3ccz h ALA 763 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3ccz h ALA 763 Cb 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3ccz h ALA 763 CO 0.06 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3ccz n GLY 765 N -0.07 0.38 3.92 0.00 0.00 -1.00 -4.58 105.19 103.84 3ccz n GLY 765 Ca 0.22 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.94 2.28 -0.62 1.61 -1.52 -0.04 -2.84 119.66 114.59 3ccz s GLN 766 Ca 0.00 -0.08 -0.28 0.00 -1.95 0.00 0.00 55.36 53.05 3ccz s GLN 766 Cb 0.00 -2.12 0.02 0.00 -0.22 0.00 0.00 33.01 30.69 3ccz s GLN 766 CO 0.00 -1.24 1.31 0.34 -0.25 0.00 0.00 175.29 175.46 3ccz s ASP 767 N -4.49 6.22 0.51 5.90 -1.08 -1.26 -4.71 116.67 117.76 3ccz s ASP 767 Ca 0.60 0.01 0.28 0.00 -0.52 0.00 0.00 52.55 52.91 3ccz s ASP 767 Cb -0.11 -2.55 1.36 0.00 -1.46 0.00 0.00 42.92 40.16 3ccz s ASP 767 CO 0.46 -1.69 2.02 0.00 0.52 0.00 0.00 175.17 176.48 3ccz h ALA 768 N 10.37 1.17 0.00 3.66 0.00 -1.95 -2.06 119.26 130.44 3ccz h ALA 768 Ca -0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 3ccz h ALA 768 Cb 1.07 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3ccz h ALA 768 CO 1.21 0.16 -0.16 0.00 0.00 0.00 0.00 179.25 180.46 3ccz h ALA 769 N 1.87 1.19 0.00 0.00 0.00 -2.01 -2.50 119.26 117.81 3ccz h ALA 769 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ccz h ALA 769 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3ccz h ALA 769 CO 0.02 0.20 0.00 1.04 0.00 0.00 0.00 179.25 180.51 3ccz n GLN 770 N -3.56 0.72 0.29 0.00 6.02 -0.77 -3.08 117.38 116.99 3ccz n GLN 770 Ca -0.01 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.17 3ccz n GLN 770 Cb 0.31 -1.34 0.94 0.00 1.02 0.00 0.00 30.24 31.16 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 -0.04 1.08 -0.00 -1.61 -1.34 115.58 113.67 3ccz h ASN 771 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 56.30 56.33 3ccz h ASN 771 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.29 3ccz h ASN 771 CO 0.00 0.00 -0.12 0.58 -0.00 0.00 0.00 177.43 177.89 3ccz h VAL 772 N 0.00 0.68 0.01 6.14 2.07 -1.81 -2.63 116.25 120.71 3ccz h VAL 772 Ca 0.00 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.20 3ccz h VAL 772 Cb 0.19 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 3ccz h VAL 772 CO 0.00 0.00 -1.96 0.61 0.02 0.00 0.00 177.57 176.24 3ccz n GLY 773 N -1.26 -0.94 0.27 2.17 0.00 -1.18 -4.28 105.19 99.97 3ccz n GLY 773 Ca -0.05 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 45.97 3ccz n GLY 773 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ccz h SER 774 N 0.01 0.00 0.97 1.61 0.02 -1.25 -2.48 113.55 112.43 3ccz h SER 774 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3ccz h SER 774 Cb 2.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.62 3ccz h SER 774 CO 0.06 0.09 -0.05 -1.54 -1.14 0.00 0.00 176.83 174.25 3ccz n SER 775 N -3.34 0.07 -4.65 3.07 3.41 -0.99 -4.45 113.62 106.74 3ccz n SER 775 Ca -0.01 0.44 -0.55 0.00 -0.26 0.00 0.00 58.87 58.49 3ccz n SER 775 Cb 0.28 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 63.72 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 -1.53 1.94 -3.63 4.04 3.02 -0.93 -4.59 115.26 113.58 3ccz n ASN 776 Ca 0.07 1.10 -0.11 0.00 -0.03 0.00 0.00 54.58 55.61 3ccz n ASN 776 Cb 0.34 -1.15 -0.07 0.00 -0.61 0.00 0.00 39.78 38.29 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 0.54 2.35 -0.22 0.00 2.07 -0.81 -2.04 121.20 123.08 3ccz s ILE 778 Ca -0.01 -0.88 -0.06 0.00 -1.41 0.00 0.00 60.65 58.29 3ccz s ILE 778 Cb -0.05 -1.97 -0.03 0.00 0.13 0.00 0.00 42.46 40.55 3ccz s ILE 778 CO -0.04 0.53 0.04 -0.89 -1.91 0.00 0.00 174.94 172.67 3ccz s THR 779 N 0.85 4.19 0.02 4.00 2.01 -0.43 -1.94 115.64 124.34 3ccz s THR 779 Ca -0.05 -0.22 0.08 0.00 0.31 0.00 0.00 61.69 61.80 3ccz s THR 779 Cb -0.15 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 3ccz s THR 779 CO -0.02 0.39 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.32 3ccz s LEU 780 N 1.28 2.36 -0.01 4.42 1.43 -0.58 -4.89 118.68 122.68 3ccz s LEU 780 Ca 0.04 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 3ccz s LEU 780 Cb -0.15 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.68 3ccz s LEU 780 CO 0.02 0.28 -0.00 -0.04 0.23 0.00 0.00 176.35 176.84 3ccz s MET 781 N -1.16 0.12 0.21 1.70 -1.94 -1.26 -1.66 119.30 115.31 3ccz s MET 781 Ca 0.12 0.01 -0.10 0.00 -1.71 0.00 0.00 55.69 54.02 3ccz s MET 781 Cb -0.10 -0.19 -0.01 0.00 2.01 0.00 0.00 34.83 36.54 3ccz s MET 781 CO 0.02 -0.03 0.36 -1.83 -0.01 0.00 0.00 175.02 173.54 3ccz s GLU 782 N 0.31 1.37 0.49 2.03 -1.05 -0.87 -4.88 118.70 116.10 3ccz s GLU 782 Ca -0.03 -1.29 -0.20 0.00 -0.15 0.00 0.00 54.97 53.30 3ccz s GLU 782 Cb -0.05 0.41 -0.08 0.00 -0.44 0.00 0.00 34.13 33.97 3ccz s GLU 782 CO -0.01 -0.53 1.05 0.00 0.95 0.00 0.00 175.26 176.72 3ccz s ALA 783 N -4.03 2.85 0.22 -0.84 0.00 -1.26 -1.56 121.76 117.14 3ccz s ALA 783 Ca 0.24 0.63 -0.13 0.00 0.00 0.00 0.00 51.96 52.70 3ccz s ALA 783 Cb 0.02 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3ccz s ALA 783 CO 0.07 -0.36 0.45 0.45 0.00 0.00 0.00 175.76 176.37 3ccz s SER 784 N -1.96 -0.11 0.00 0.00 0.15 -0.17 -4.76 113.70 106.85 3ccz s SER 784 Ca 0.68 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 56.53 3ccz s SER 784 Cb -0.17 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 3ccz s SER 784 CO 0.21 -1.07 0.00 0.61 1.20 0.00 0.00 173.24 174.19 3ccz n GLY 785 N -0.34 -0.83 0.17 9.45 0.00 -1.26 -2.15 105.19 110.25 3ccz n GLY 785 Ca -0.05 -1.69 0.02 0.00 0.00 0.00 0.00 46.02 44.30 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 0.00 -0.02 1.61 0.13 -2.01 -2.84 132.00 128.87 3ccz h PRO 786 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3ccz h PRO 786 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3ccz h PRO 786 CO 0.00 0.44 -0.18 0.25 -0.23 0.00 0.00 178.00 178.28 3ccz n THR 787 N -3.97 0.00 -2.14 1.56 -2.24 -1.26 -4.97 114.28 101.26 3ccz n THR 787 Ca -0.02 -0.34 -0.16 0.00 -2.27 0.00 0.00 64.05 61.26 3ccz n THR 787 Cb 0.47 1.13 -0.02 0.00 -2.10 0.00 0.00 70.33 69.81 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 0.48 -4.91 -0.05 3.42 5.15 -1.07 -4.89 115.26 113.40 3ccz n ASN 788 Ca 0.13 0.07 0.03 0.00 -0.60 0.00 0.00 54.58 54.22 3ccz n ASN 788 Cb 0.49 -3.98 -0.03 0.00 -0.53 0.00 0.00 39.78 35.73 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 -2.57 4.01 -2.75 1.20 1.02 -1.14 -4.41 120.64 116.00 3ccz n GLU 789 Ca -0.19 -0.15 -0.31 0.00 -0.02 0.00 0.00 57.16 56.50 3ccz n GLU 789 Cb 0.63 -0.88 -0.03 0.00 -0.02 0.00 0.00 31.44 31.14 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 -1.50 6.55 -0.43 1.62 1.01 -0.91 -4.23 116.67 118.78 3ccz s ASP 790 Ca 0.04 1.25 -0.10 0.00 0.71 0.00 0.00 52.55 54.44 3ccz s ASP 790 Cb 0.05 -2.37 0.08 0.00 1.01 0.00 0.00 42.92 41.70 3ccz s ASP 790 CO 0.26 -0.44 0.29 -0.22 0.21 0.00 0.00 175.17 175.27 3ccz s LEU 791 N -3.87 5.28 0.06 1.23 2.96 -0.60 -1.00 118.68 122.74 3ccz s LEU 791 Ca 0.53 -1.52 -0.30 0.00 -0.22 0.00 0.00 54.13 52.62 3ccz s LEU 791 Cb -0.10 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 3ccz s LEU 791 CO 0.31 -0.57 1.07 -0.47 -1.32 0.00 0.00 176.35 175.36 3ccz s TYR 792 N 1.45 3.60 -0.00 5.38 5.04 -0.60 -1.57 117.35 130.65 3ccz s TYR 792 Ca 0.03 1.57 0.03 0.00 -2.44 0.00 0.00 57.07 56.27 3ccz s TYR 792 Cb -0.24 -3.23 -0.01 0.00 0.35 0.00 0.00 41.96 38.84 3ccz s TYR 792 CO 0.03 -0.47 -0.09 -1.50 -1.34 0.00 0.00 175.55 172.18 3ccz s ILE 793 N 0.67 0.69 0.03 3.14 2.07 -0.65 -2.04 121.20 125.11 3ccz s ILE 793 Ca 0.53 -0.45 0.02 0.00 -1.41 0.00 0.00 60.65 59.34 3ccz s ILE 793 Cb -0.25 -0.60 -0.02 0.00 0.13 0.00 0.00 42.46 41.72 3ccz s ILE 793 CO 0.30 0.14 -0.07 -0.94 -1.91 0.00 0.00 174.94 172.46 3ccz s SER 794 N -0.35 0.76 -0.07 4.50 1.04 -0.66 -1.79 113.70 117.14 3ccz s SER 794 Ca 0.02 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 56.05 3ccz s SER 794 Cb -0.04 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.10 3ccz s SER 794 CO -0.00 -0.14 -0.17 0.00 0.98 0.00 0.00 173.24 173.90 3ccz s THR 796 N 0.37 1.79 -0.35 0.00 2.01 -0.82 -1.11 115.64 117.54 3ccz s THR 796 Ca -0.12 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.05 3ccz s THR 796 Cb -0.15 -1.70 0.10 0.00 0.01 0.00 0.00 72.50 70.77 3ccz s THR 796 CO 0.05 0.42 0.09 -0.04 -0.69 0.00 0.00 174.62 174.44 3ccz s MET 797 N 1.38 1.32 0.00 4.92 -1.94 0.05 -1.93 119.30 123.10 3ccz s MET 797 Ca 0.03 -1.75 0.27 0.00 -1.71 0.00 0.00 55.69 52.53 3ccz s MET 797 Cb -0.14 -2.87 1.23 0.00 2.01 0.00 0.00 34.83 35.06 3ccz s MET 797 CO -0.11 -0.98 1.88 -0.35 -0.01 0.00 0.00 175.02 175.45 3ccz n PRO 798 N 4.26 0.17 -2.70 2.03 -0.04 -1.26 -1.00 135.00 136.46 3ccz n PRO 798 Ca 0.03 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.44 3ccz n PRO 798 Cb 0.41 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.41 0.54 -4.60 3.54 3.41 -1.24 -2.87 113.62 110.99 3ccz n SER 799 Ca 0.09 -2.68 -0.43 0.00 -0.26 0.00 0.00 58.87 55.59 3ccz n SER 799 Cb 0.27 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 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 -2.23 3.93 -0.45 -1.33 1.01 -0.39 -3.36 121.20 118.39 3ccz s ILE 800 Ca 0.26 0.96 -0.18 0.00 0.00 0.00 0.00 60.65 61.70 3ccz s ILE 800 Cb 0.44 -4.21 0.04 0.00 0.01 0.00 0.00 42.46 38.73 3ccz s ILE 800 CO 0.00 -0.74 0.48 -1.61 0.00 0.00 0.00 174.94 173.07 3ccz s GLU 801 N 4.86 3.10 0.10 2.79 2.02 -1.26 -1.00 118.70 129.30 3ccz s GLU 801 Ca 0.60 -0.84 -0.14 0.00 0.02 0.00 0.00 54.97 54.62 3ccz s GLU 801 Cb -0.14 -4.02 0.02 0.00 0.10 0.00 0.00 34.13 30.10 3ccz s GLU 801 CO 0.32 -0.96 0.33 -1.50 0.02 0.00 0.00 175.26 173.46 3ccz s ILE 802 N 2.22 0.09 -0.02 -1.63 2.07 -1.26 -4.90 121.20 117.77 3ccz s ILE 802 Ca 0.12 -0.75 -0.29 0.00 -1.41 0.00 0.00 60.65 58.33 3ccz s ILE 802 Cb -0.18 -1.17 0.10 0.00 0.13 0.00 0.00 42.46 41.34 3ccz s ILE 802 CO 0.13 -0.41 0.87 -0.83 -1.91 0.00 0.00 174.94 172.78 3ccz s GLY 803 N -2.66 -0.45 0.00 1.50 0.00 -1.26 -3.67 107.32 100.78 3ccz s GLY 803 Ca 0.02 1.14 0.02 0.00 0.00 0.00 0.00 44.72 45.90 3ccz s GLY 803 CO -0.10 0.45 0.83 -1.30 0.00 0.00 0.00 173.10 172.99 3ccz n THR 804 N -0.06 0.54 -4.10 0.90 -2.24 -0.38 -4.84 114.28 104.10 3ccz n THR 804 Ca -0.10 -0.77 -0.15 0.00 -2.27 0.00 0.00 64.05 60.77 3ccz n THR 804 Cb 0.61 0.76 -0.12 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.63 0.68 0.00 2.28 -7.23 -1.25 -2.37 120.40 111.88 3ccz s VAL 805 Ca 0.04 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 3ccz s VAL 805 Cb 0.02 -0.71 0.00 0.00 0.56 0.00 0.00 36.38 36.25 3ccz s VAL 805 CO 0.03 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 3ccz n GLY 806 N 1.54 -2.27 7.00 2.32 0.00 -1.26 -4.37 105.19 108.14 3ccz n GLY 806 Ca -0.22 -1.48 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 -1.88 2.08 0.06 -0.02 0.00 -1.26 -2.62 105.19 101.54 3ccz n GLY 807 Ca 0.00 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.23 0.00 -0.02 0.00 -1.17 -2.78 105.19 99.99 3ccz n GLY 808 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.83 0.09 0.52 2.61 -2.24 -1.08 -2.79 114.28 109.56 3ccz n THR 809 Ca 0.04 0.02 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 3ccz n THR 809 Cb 0.24 -0.56 0.34 0.00 -2.10 0.00 0.00 70.33 68.24 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 -3.87 3.42 2.35 -1.67 -3.42 115.58 112.39 3ccz h ASN 810 Ca 0.00 -0.01 -0.47 0.00 -0.55 0.00 0.00 56.30 55.27 3ccz h ASN 810 Cb 0.24 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3ccz h ASN 810 CO 0.00 0.00 0.26 -0.76 -1.65 0.00 0.00 177.43 175.28 3ccz s LEU 811 N -4.94 4.14 0.08 1.61 1.43 -1.12 -4.98 118.68 114.91 3ccz s LEU 811 Ca 0.10 1.61 -0.16 0.00 -1.03 0.00 0.00 54.13 54.65 3ccz s LEU 811 Cb 0.11 -4.15 -0.10 0.00 0.03 0.00 0.00 46.19 42.07 3ccz s LEU 811 CO 0.62 -0.18 1.39 -0.07 0.23 0.00 0.00 176.35 178.34 3ccz h LEU 812 N 2.58 0.67 -1.15 1.79 3.38 -1.89 -1.73 115.31 118.96 3ccz h LEU 812 Ca -0.48 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.00 3ccz h LEU 812 Cb 1.18 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3ccz h LEU 812 CO 0.64 1.03 0.51 -0.65 0.09 0.00 0.00 178.44 180.05 3ccz h PRO 813 N 0.33 1.08 -0.09 1.13 0.11 -1.95 -1.86 132.00 130.75 3ccz h PRO 813 Ca 0.03 -0.08 -0.13 0.00 0.11 0.00 0.00 66.00 65.93 3ccz h PRO 813 Cb 0.85 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 3ccz h PRO 813 CO 0.07 0.74 -0.51 1.96 -0.21 0.00 0.00 178.00 180.05 3ccz h GLN 814 N 1.11 0.25 0.00 1.05 7.50 -1.78 -2.84 115.11 120.39 3ccz h GLN 814 Ca 0.29 -0.14 -0.04 0.00 0.50 0.00 0.00 58.65 59.26 3ccz h GLN 814 Cb -0.08 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.45 3ccz h GLN 814 CO -0.06 0.70 -0.20 1.96 -1.50 0.00 0.00 178.83 179.74 3ccz h GLN 815 N 0.20 0.00 -0.38 1.46 4.20 -0.81 -2.72 115.11 117.06 3ccz h GLN 815 Ca 0.01 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 3ccz h GLN 815 Cb 0.97 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 3ccz h GLN 815 CO 0.08 0.20 -0.30 0.00 -0.67 0.00 0.00 178.83 178.13 3ccz h ALA 816 N 1.80 0.75 -0.07 3.87 0.00 -1.10 -0.75 119.26 123.77 3ccz h ALA 816 Ca -0.00 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.32 3ccz h ALA 816 Cb 0.73 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ccz h ALA 816 CO 0.03 0.66 -0.71 0.00 0.00 0.00 0.00 179.25 179.22 3ccz h LEU 818 N 0.23 0.42 -0.92 0.00 3.38 -1.41 -3.05 115.31 113.95 3ccz h LEU 818 Ca -0.03 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 3ccz h LEU 818 Cb 1.28 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3ccz h LEU 818 CO 0.12 0.74 -0.49 1.56 0.09 0.00 0.00 178.44 180.46 3ccz h GLN 819 N 0.35 0.00 -0.53 1.13 4.20 -0.98 -2.16 115.11 117.12 3ccz h GLN 819 Ca 0.04 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.79 3ccz h GLN 819 Cb 0.76 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.51 3ccz h GLN 819 CO 0.06 0.49 0.30 0.52 -0.67 0.00 0.00 178.83 179.53 3ccz h MET 820 N 0.00 0.58 0.00 1.46 2.86 -1.33 -2.70 114.93 115.80 3ccz h MET 820 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3ccz h MET 820 Cb 0.95 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.48 3ccz h MET 820 CO 0.06 0.38 -0.12 1.28 1.06 0.00 0.00 176.91 179.57 3ccz n LEU 821 N -4.82 0.13 -0.50 1.22 4.77 -1.06 -4.67 117.00 112.07 3ccz n LEU 821 Ca 0.04 0.38 -0.04 0.00 -0.03 0.00 0.00 56.01 56.36 3ccz n LEU 821 Cb 0.10 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3ccz n LEU 821 CO 0.31 0.03 -0.06 0.61 -1.33 0.00 0.00 177.39 176.95 3ccz n GLY 822 N 1.50 0.23 0.08 -0.72 0.00 -0.87 -4.95 105.19 100.46 3ccz n GLY 822 Ca 0.07 -0.72 0.03 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.91 1.01 -2.15 1.61 0.24 -0.87 -5.01 118.33 109.26 3ccz n VAL 823 Ca -0.05 -1.13 -0.41 0.00 -2.04 0.00 0.00 64.34 60.71 3ccz n VAL 823 Cb 0.51 0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 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 -1.32 4.35 1.37 7.34 -0.44 -1.20 -4.73 119.66 125.03 3ccz s GLN 824 Ca 0.10 2.13 0.00 0.00 -2.50 0.00 0.00 55.36 55.09 3ccz s GLN 824 Cb 0.09 -3.17 0.00 0.00 -1.64 0.00 0.00 33.01 28.29 3ccz s GLN 824 CO 0.01 -0.31 0.00 0.41 0.50 0.00 0.00 175.29 175.89 3ccz n GLY 825 N 2.38 -1.73 3.72 2.59 0.00 -1.00 -4.84 105.19 106.31 3ccz n GLY 825 Ca 0.07 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.19 3.55 -0.24 4.61 0.00 -1.26 -4.63 121.76 122.59 3ccz s ALA 826 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 51.96 51.30 3ccz s ALA 826 Cb 0.00 -2.48 -0.00 0.00 0.00 0.00 0.00 23.12 20.63 3ccz s ALA 826 CO 0.00 0.05 1.27 0.00 0.00 0.00 0.00 175.76 177.08 3ccz h LYS 828 N 8.76 0.36 0.00 0.00 1.57 -2.00 -3.17 116.57 122.10 3ccz h LYS 828 Ca -0.26 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.15 3ccz h LYS 828 Cb 1.10 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 3ccz h LYS 828 CO 1.01 0.96 -0.30 -0.44 -0.57 0.00 0.00 179.45 180.11 3ccz h ASP 829 N -0.13 0.00 -1.97 0.86 3.32 -2.06 -3.38 116.42 113.05 3ccz h ASP 829 Ca -0.03 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.64 3ccz h ASP 829 Cb 1.04 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.28 3ccz h ASP 829 CO 0.08 0.30 -0.70 0.21 -1.72 0.00 0.00 179.24 177.41 3ccz s ASN 830 N -6.48 1.21 0.15 6.45 2.47 -1.24 -5.13 114.94 112.36 3ccz s ASN 830 Ca -0.01 -1.67 -0.34 0.00 0.42 0.00 0.00 52.86 51.26 3ccz s ASN 830 Cb 0.12 0.51 -0.15 0.00 -1.45 0.00 0.00 41.25 40.29 3ccz s ASN 830 CO 0.67 -0.25 1.36 -2.65 -3.72 0.00 0.00 177.10 172.51 3ccz n PRO 831 N 4.16 1.51 -0.87 0.43 -0.02 -1.20 -1.89 135.00 137.12 3ccz n PRO 831 Ca 0.12 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3ccz n PRO 831 Cb 0.45 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 2.56 0.64 0.21 -1.23 0.00 -1.25 -4.86 105.19 101.26 3ccz n GLY 832 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 1.78 0.71 -0.27 1.61 4.57 -1.69 -2.23 114.58 119.06 3ccz h GLU 833 Ca 0.00 -0.66 -0.17 0.00 -1.18 0.00 0.00 59.36 57.35 3ccz h GLU 833 Cb 0.00 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3ccz h GLU 833 CO 0.00 1.26 -0.51 -0.91 -1.18 0.00 0.00 179.01 177.67 3ccz h ASN 834 N 0.45 0.84 -0.33 1.04 2.35 -1.88 -1.49 115.58 116.56 3ccz h ASN 834 Ca -0.08 -0.43 -0.14 0.00 -0.55 0.00 0.00 56.30 55.09 3ccz h ASN 834 Cb 1.53 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.65 3ccz h ASN 834 CO 0.18 1.20 -0.34 0.00 -1.65 0.00 0.00 177.43 176.82 3ccz h ALA 835 N 0.83 0.69 -0.23 -0.83 0.00 -1.82 -1.71 119.26 116.19 3ccz h ALA 835 Ca 0.02 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 3ccz h ALA 835 Cb 1.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3ccz h ALA 835 CO 0.11 0.67 -0.29 0.00 0.00 0.00 0.00 179.25 179.74 3ccz h ARG 836 N 0.72 0.44 -0.38 0.00 3.08 -1.39 -2.21 114.38 114.65 3ccz h ARG 836 Ca 0.07 -0.18 -0.15 0.00 0.07 0.00 0.00 59.98 59.79 3ccz h ARG 836 Cb 0.90 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 3ccz h ARG 836 CO 0.08 0.69 -0.37 0.37 -1.07 0.00 0.00 179.97 179.68 3ccz h GLN 837 N 0.39 0.89 -0.15 0.04 5.75 -1.10 -2.28 115.11 118.66 3ccz h GLN 837 Ca 0.05 -0.46 -0.11 0.00 -0.15 0.00 0.00 58.65 57.99 3ccz h GLN 837 Cb 0.70 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 3ccz h GLN 837 CO 0.05 1.11 -0.39 1.25 -2.65 0.00 0.00 178.83 178.20 3ccz h LEU 838 N 0.74 0.33 -0.76 -2.39 5.85 -1.19 -1.70 115.31 116.19 3ccz h LEU 838 Ca 0.06 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 3ccz h LEU 838 Cb 0.95 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3ccz h LEU 838 CO 0.09 0.69 -0.23 0.00 -0.34 0.00 0.00 178.44 178.65 3ccz h ALA 839 N 1.33 0.94 -0.31 1.25 0.00 -1.27 -1.33 119.26 119.86 3ccz h ALA 839 Ca 0.03 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 3ccz h ALA 839 Cb 0.81 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3ccz h ALA 839 CO 0.06 0.61 -0.32 0.00 0.00 0.00 0.00 179.25 179.60 3ccz h ARG 840 N 0.61 0.67 -0.37 0.00 3.08 -1.13 -2.22 114.38 115.02 3ccz h ARG 840 Ca 0.09 -0.31 -0.12 0.00 0.07 0.00 0.00 59.98 59.71 3ccz h ARG 840 Cb 0.71 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 3ccz h ARG 840 CO 0.05 0.91 -0.25 0.82 -1.07 0.00 0.00 179.97 180.43 3ccz h ILE 841 N 0.57 1.27 -0.23 2.04 2.04 -1.08 -1.45 117.51 120.68 3ccz h ILE 841 Ca 0.06 -1.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.51 3ccz h ILE 841 Cb 0.83 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3ccz h ILE 841 CO 0.07 0.46 0.01 0.58 0.00 0.00 0.00 178.15 179.27 3ccz h VAL 842 N 0.66 1.25 -0.30 1.67 2.07 -1.14 -0.77 116.25 119.69 3ccz h VAL 842 Ca 0.09 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 3ccz h VAL 842 Cb 0.77 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3ccz h VAL 842 CO 0.06 0.27 -0.10 0.00 0.02 0.00 0.00 177.57 177.82 3ccz h GLY 844 N 0.90 0.78 1.71 0.00 0.00 -1.16 -2.34 103.07 102.98 3ccz h GLY 844 Ca 0.09 -1.11 -0.14 0.00 0.00 0.00 0.00 47.33 46.17 3ccz h GLY 844 CO 0.03 0.99 -0.56 -0.84 0.00 0.00 0.00 176.54 176.16 3ccz h THR 845 N 0.48 1.36 -0.57 4.70 2.02 -0.93 -1.96 112.91 118.01 3ccz h THR 845 Ca -0.05 -1.86 -0.02 0.00 0.77 0.00 0.00 66.41 65.25 3ccz h THR 845 Cb 1.39 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.67 3ccz h THR 845 CO 0.15 0.56 0.29 0.58 0.37 0.00 0.00 175.52 177.47 3ccz h VAL 846 N 0.23 1.20 -0.56 3.16 2.07 -0.98 -0.84 116.25 120.53 3ccz h VAL 846 Ca 0.00 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 3ccz h VAL 846 Cb 1.05 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3ccz h VAL 846 CO 0.09 0.22 0.18 -0.03 0.02 0.00 0.00 177.57 178.05 3ccz h MET 847 N 0.78 0.83 -0.52 1.57 -1.53 -1.15 0.69 114.93 115.60 3ccz h MET 847 Ca 0.20 -0.15 -0.04 0.00 -3.44 0.00 0.00 59.70 56.27 3ccz h MET 847 Cb 0.09 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 30.98 3ccz h MET 847 CO -0.03 0.72 0.17 0.00 0.14 0.00 0.00 176.91 177.91 3ccz h ALA 848 N 1.38 0.69 -0.44 0.39 0.00 -0.97 -1.84 119.26 118.47 3ccz h ALA 848 Ca 0.19 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3ccz h ALA 848 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ccz h ALA 848 CO -0.01 0.35 0.04 0.78 0.00 0.00 0.00 179.25 180.41 3ccz h GLY 849 N 0.72 0.74 0.95 0.00 0.00 -0.50 -2.70 103.07 102.28 3ccz h GLY 849 Ca 0.17 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 3ccz h GLY 849 CO -0.01 0.42 0.01 0.83 0.00 0.00 0.00 176.54 177.80 3ccz h GLU 850 N 0.66 0.71 -0.60 4.80 4.39 -0.62 -2.14 114.58 121.79 3ccz h GLU 850 Ca 0.14 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.63 3ccz h GLU 850 Cb 0.35 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3ccz h GLU 850 CO 0.01 0.79 0.39 -0.07 -1.16 0.00 0.00 179.01 178.97 3ccz h LEU 851 N 0.55 0.66 -0.03 1.33 3.38 -1.14 -1.95 115.31 118.11 3ccz h LEU 851 Ca 0.12 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3ccz h LEU 851 Cb 0.46 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3ccz h LEU 851 CO 0.02 0.47 -0.16 -1.28 0.09 0.00 0.00 178.44 177.58 3ccz h SER 852 N 0.78 0.19 -0.47 -0.43 0.87 -1.41 -2.36 113.55 110.71 3ccz h SER 852 Ca 0.23 -0.68 -0.08 0.00 -1.23 0.00 0.00 61.79 60.02 3ccz h SER 852 Cb -0.06 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3ccz h SER 852 CO -0.06 0.84 -0.03 0.25 -0.53 0.00 0.00 176.83 177.29 3ccz h LEU 853 N -0.45 0.85 -1.21 2.23 5.85 -1.43 -1.92 115.31 119.23 3ccz h LEU 853 Ca -0.01 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 3ccz h LEU 853 Cb 0.84 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3ccz h LEU 853 CO 0.03 0.97 -0.11 0.24 -0.34 0.00 0.00 178.44 179.23 3ccz h MET 854 N 0.71 0.41 -0.37 1.25 2.86 -1.44 -1.66 114.93 116.69 3ccz h MET 854 Ca 0.13 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 3ccz h MET 854 Cb 0.55 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 3ccz h MET 854 CO 0.03 0.53 -0.26 0.00 1.06 0.00 0.00 176.91 178.27 3ccz h ALA 855 N 1.50 0.85 -0.23 6.32 0.00 -1.21 -1.76 119.26 124.74 3ccz h ALA 855 Ca 0.07 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 3ccz h ALA 855 Cb 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3ccz h ALA 855 CO 0.02 0.63 -0.33 0.00 0.00 0.00 0.00 179.25 179.58 3ccz h ALA 856 N 1.06 1.01 0.01 0.00 0.00 -0.83 -2.33 119.26 118.19 3ccz h ALA 856 Ca 0.08 -0.39 -0.24 0.00 0.00 0.00 0.00 54.91 54.37 3ccz h ALA 856 Cb 0.77 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.45 3ccz h ALA 856 CO 0.06 0.60 -0.99 -0.07 0.00 0.00 0.00 179.25 178.85 3ccz h LEU 857 N 0.41 0.58 -0.48 0.00 3.38 -1.22 -2.78 115.31 115.20 3ccz h LEU 857 Ca 0.05 -0.47 -0.15 0.00 0.09 0.00 0.00 57.88 57.39 3ccz h LEU 857 Cb 0.77 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3ccz h LEU 857 CO 0.06 1.28 -0.40 0.00 0.09 0.00 0.00 178.44 179.47 3ccz h ALA 858 N 0.68 0.66 -0.10 1.53 0.00 -1.27 -3.22 119.26 117.54 3ccz h ALA 858 Ca -0.09 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 54.16 3ccz h ALA 858 Cb 1.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3ccz h ALA 858 CO 0.17 0.67 -0.75 0.00 0.00 0.00 0.00 179.25 179.34 3ccz h ALA 859 N 0.88 0.50 0.00 0.00 0.00 -1.48 -3.50 119.26 115.65 3ccz h ALA 859 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3ccz h ALA 859 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3ccz h ALA 859 CO 0.09 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.49