#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n3t s ARG 488 N 0.00 2.94 0.45 3.44 1.81 -1.26 -5.02 118.95 121.30 3n3t s ARG 488 Ca 0.00 1.85 -0.22 0.00 -1.72 0.00 0.00 55.73 55.64 3n3t s ARG 488 Cb 0.00 -1.92 -0.09 0.00 -0.45 0.00 0.00 34.95 32.49 3n3t s ARG 488 CO 0.00 -1.24 1.05 -0.51 -0.68 0.00 0.00 175.30 173.92 3n3t s LEU 489 N -4.09 3.99 0.53 2.53 1.43 -1.26 -5.02 118.68 116.79 3n3t s LEU 489 Ca 0.78 2.00 -0.20 0.00 -1.03 0.00 0.00 54.13 55.68 3n3t s LEU 489 Cb -0.31 -4.37 -0.06 0.00 0.03 0.00 0.00 46.19 41.48 3n3t s LEU 489 CO 0.34 -0.66 1.17 0.42 0.23 0.00 0.00 176.35 177.85 3n3t s THR 490 N -1.81 2.96 0.36 5.49 -4.23 -1.26 -4.83 115.64 112.32 3n3t s THR 490 Ca 0.63 0.64 0.14 0.00 -1.18 0.00 0.00 61.69 61.91 3n3t s THR 490 Cb -0.20 -3.28 0.35 0.00 1.34 0.00 0.00 72.50 70.71 3n3t s THR 490 CO 0.24 -0.09 1.75 0.25 -0.54 0.00 0.00 174.62 176.24 3n3t h LEU 491 N 1.39 0.57 -0.22 4.79 5.85 -1.98 -0.16 115.31 125.55 3n3t h LEU 491 Ca -0.50 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.34 3n3t h LEU 491 Cb 1.27 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3n3t h LEU 491 CO 0.57 0.11 0.13 -0.78 -0.34 0.00 0.00 178.44 178.13 3n3t h ASP 492 N 0.50 0.21 -0.34 1.25 3.58 -1.98 0.16 116.42 119.80 3n3t h ASP 492 Ca 0.62 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 58.06 3n3t h ASP 492 Cb 1.35 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.34 3n3t h ASP 492 CO -0.38 0.15 0.19 0.74 -2.88 0.00 0.00 179.24 177.06 3n3t h THR 493 N 0.27 1.14 -0.08 2.25 2.02 -1.43 -1.57 112.91 115.50 3n3t h THR 493 Ca 0.09 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 3n3t h THR 493 Cb -0.01 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3n3t h THR 493 CO -0.04 0.14 -0.16 0.03 0.37 0.00 0.00 175.52 175.86 3n3t h ARG 494 N 0.43 0.13 -0.10 6.66 3.08 -1.05 -1.55 114.38 121.97 3n3t h ARG 494 Ca 0.12 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 3n3t h ARG 494 Cb 0.06 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.10 3n3t h ARG 494 CO -0.02 0.29 -0.67 -0.07 -1.07 0.00 0.00 179.97 178.44 3n3t h LEU 495 N 0.12 0.76 -1.25 3.04 3.38 -0.44 -0.71 115.31 120.21 3n3t h LEU 495 Ca 0.02 -0.66 0.06 0.00 0.09 0.00 0.00 57.88 57.40 3n3t h LEU 495 Cb 0.36 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 3n3t h LEU 495 CO 0.02 1.30 0.54 0.03 0.09 0.00 0.00 178.44 180.42 3n3t h ARG 496 N 0.28 0.88 -0.12 1.13 3.08 -1.00 -2.44 114.38 116.19 3n3t h ARG 496 Ca -0.06 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.78 3n3t h ARG 496 Cb 1.32 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 3n3t h ARG 496 CO 0.14 0.58 -0.62 1.96 -1.07 0.00 0.00 179.97 180.96 3n3t h GLN 497 N 0.91 0.44 -0.79 0.04 4.20 -1.11 -2.10 115.11 116.70 3n3t h GLN 497 Ca 0.35 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3n3t h GLN 497 Cb 0.22 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 3n3t h GLN 497 CO -0.13 0.92 0.46 0.00 -0.67 0.00 0.00 178.83 179.42 3n3t h ALA 498 N 1.00 1.00 -0.58 3.87 0.00 -0.71 0.05 119.26 123.90 3n3t h ALA 498 Ca -0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3n3t h ALA 498 Cb 1.17 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3n3t h ALA 498 CO 0.11 0.49 0.13 -0.07 0.00 0.00 0.00 179.25 179.90 3n3t h LEU 499 N 1.08 0.89 -1.12 0.00 3.38 -1.28 0.13 115.31 118.40 3n3t h LEU 499 Ca 0.28 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3n3t h LEU 499 Cb -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3n3t h LEU 499 CO -0.05 0.90 -0.19 -0.08 0.09 0.00 0.00 178.44 179.12 3n3t h GLU 500 N 0.85 0.00 -0.06 1.13 4.81 -1.03 -3.16 114.58 117.12 3n3t h GLU 500 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3n3t h GLU 500 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3n3t h GLU 500 CO 0.00 0.19 0.00 0.54 -0.73 0.00 0.00 179.01 179.01 3n3t n ARG 501 N -3.33 2.95 -3.63 1.92 1.74 -0.03 -5.01 116.66 111.26 3n3t n ARG 501 Ca 0.00 -1.61 -0.23 0.00 -0.77 0.00 0.00 57.85 55.24 3n3t n ARG 501 Cb 0.42 -1.06 0.04 0.00 -1.02 0.00 0.00 32.46 30.84 3n3t n ARG 501 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3n3t n ASN 502 N -0.36 -3.03 0.01 0.55 3.02 -0.37 -4.92 115.26 110.16 3n3t n ASN 502 Ca 0.02 -0.86 0.11 0.00 -0.03 0.00 0.00 54.58 53.82 3n3t n ASN 502 Cb 0.29 -4.05 -0.10 0.00 -0.61 0.00 0.00 39.78 35.31 3n3t n ASN 502 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3n3t n GLU 503 N -4.09 0.47 -2.09 3.52 1.02 0.32 -4.93 120.64 114.86 3n3t n GLU 503 Ca -0.21 -0.09 -0.33 0.00 -0.02 0.00 0.00 57.16 56.50 3n3t n GLU 503 Cb 0.65 -1.57 0.01 0.00 -0.02 0.00 0.00 31.44 30.51 3n3t n GLU 503 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3n3t s LEU 504 N -4.23 3.57 0.08 -4.62 1.43 -1.26 -0.97 118.68 112.68 3n3t s LEU 504 Ca -0.02 1.94 -0.05 0.00 -1.03 0.00 0.00 54.13 54.96 3n3t s LEU 504 Cb 0.14 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.79 3n3t s LEU 504 CO 0.87 -1.22 0.10 0.54 0.23 0.00 0.00 176.35 176.86 3n3t s VAL 505 N -2.24 0.17 -0.09 -1.59 0.11 -0.03 -4.84 120.40 111.89 3n3t s VAL 505 Ca 0.66 -1.50 0.01 0.00 -2.93 0.00 0.00 61.98 58.22 3n3t s VAL 505 Cb -0.18 -1.50 -0.02 0.00 -1.53 0.00 0.00 36.38 33.14 3n3t s VAL 505 CO 0.34 -0.75 -0.12 -0.76 -3.33 0.00 0.00 175.10 170.47 3n3t s LEU 506 N -2.91 2.82 0.25 2.54 1.43 -1.26 -0.79 118.68 120.76 3n3t s LEU 506 Ca 0.08 -0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 3n3t s LEU 506 Cb 0.06 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 3n3t s LEU 506 CO -0.09 0.27 0.27 -1.00 0.23 0.00 0.00 176.35 176.04 3n3t s HIS 507 N -0.28 3.23 -0.10 0.29 3.76 0.95 -4.28 115.29 118.85 3n3t s HIS 507 Ca 0.02 -0.09 0.01 0.00 -0.15 0.00 0.00 55.06 54.86 3n3t s HIS 507 Cb -0.13 -1.50 0.02 0.00 1.11 0.00 0.00 32.58 32.08 3n3t s HIS 507 CO 0.03 0.46 -0.12 0.71 -0.85 0.00 0.00 174.74 174.97 3n3t s TYR 508 N -2.08 1.69 -0.25 1.40 2.02 0.82 -0.04 117.35 120.91 3n3t s TYR 508 Ca 0.34 -0.80 -0.11 0.00 -0.37 0.00 0.00 57.07 56.13 3n3t s TYR 508 Cb -0.08 -1.29 -0.05 0.00 -0.40 0.00 0.00 41.96 40.14 3n3t s TYR 508 CO 0.27 -0.47 0.21 -1.14 -1.57 0.00 0.00 175.55 172.85 3n3t s GLN 509 N 1.23 4.04 0.29 -0.62 0.74 -0.24 -0.98 119.66 124.11 3n3t s GLN 509 Ca -0.03 -0.22 -0.30 0.00 0.05 0.00 0.00 55.36 54.86 3n3t s GLN 509 Cb -0.14 -3.58 -0.13 0.00 1.10 0.00 0.00 33.01 30.26 3n3t s GLN 509 CO -0.04 -0.04 1.41 -2.30 -0.55 0.00 0.00 175.29 173.77 3n3t n PRO 510 N 4.61 2.24 -3.96 1.67 -0.02 -1.26 -0.69 135.00 137.58 3n3t n PRO 510 Ca -0.14 0.79 -0.35 0.00 -2.02 0.00 0.00 63.50 61.79 3n3t n PRO 510 Cb 0.52 -2.45 -0.09 0.00 -0.02 0.00 0.00 33.50 31.45 3n3t n PRO 510 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3n3t s ILE 511 N -0.43 4.88 -0.06 4.25 1.01 0.02 -4.50 121.20 126.36 3n3t s ILE 511 Ca 0.62 -0.00 0.05 0.00 0.00 0.00 0.00 60.65 61.32 3n3t s ILE 511 Cb -0.58 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 3n3t s ILE 511 CO 0.54 0.46 -0.20 -0.69 0.00 0.00 0.00 174.94 175.04 3n3t s VAL 512 N 0.37 2.48 -0.47 2.92 1.01 0.92 -0.97 120.40 126.67 3n3t s VAL 512 Ca 0.04 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 3n3t s VAL 512 Cb -0.12 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.35 3n3t s VAL 512 CO -0.00 0.57 1.18 -0.70 0.00 0.00 0.00 175.10 176.15 3n3t s GLU 513 N -0.29 3.70 0.30 2.72 2.12 0.11 -0.21 118.70 127.14 3n3t s GLU 513 Ca 0.01 0.62 0.05 0.00 0.36 0.00 0.00 54.97 56.01 3n3t s GLU 513 Cb -0.13 -3.93 0.73 0.00 0.26 0.00 0.00 34.13 31.06 3n3t s GLU 513 CO 0.03 -1.41 1.75 -0.07 -0.54 0.00 0.00 175.26 175.01 3n3t h LEU 514 N 11.38 0.65 -1.31 2.70 3.38 -1.26 0.15 115.31 131.01 3n3t h LEU 514 Ca -0.24 0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3n3t h LEU 514 Cb 1.07 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 3n3t h LEU 514 CO 1.12 0.20 0.47 0.00 0.09 0.00 0.00 178.44 180.32 3n3t h ALA 515 N 1.65 1.50 0.00 1.53 0.00 -1.88 -3.30 119.26 118.76 3n3t h ALA 515 Ca 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3n3t h ALA 515 Cb 0.94 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3n3t h ALA 515 CO -0.42 0.46 -0.90 -1.13 0.00 0.00 0.00 179.25 177.26 3n3t n SER 516 N -4.43 3.62 -0.01 0.00 3.41 -0.99 -5.01 113.62 110.20 3n3t n SER 516 Ca 0.08 -0.11 -0.00 0.00 -0.26 0.00 0.00 58.87 58.57 3n3t n SER 516 Cb 0.04 1.08 -0.00 0.00 -0.26 0.00 0.00 64.21 65.07 3n3t n SER 516 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n3t n GLY 517 N 2.11 0.47 3.76 5.00 0.00 0.48 -5.02 105.19 111.99 3n3t n GLY 517 Ca -0.00 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 3n3t n GLY 517 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3n3t s ARG 518 N -0.62 4.70 -0.25 1.61 3.52 -1.24 -4.79 118.95 121.88 3n3t s ARG 518 Ca 0.00 1.32 -0.26 0.00 -0.13 0.00 0.00 55.73 56.66 3n3t s ARG 518 Cb 0.00 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 3n3t s ARG 518 CO 0.00 0.52 0.91 0.42 -0.81 0.00 0.00 175.30 176.34 3n3t s ILE 519 N -1.07 4.76 -0.14 4.11 1.01 -1.26 -0.72 121.20 127.90 3n3t s ILE 519 Ca 0.39 1.69 0.02 0.00 0.00 0.00 0.00 60.65 62.75 3n3t s ILE 519 Cb -0.24 -4.20 -0.01 0.00 0.01 0.00 0.00 42.46 38.01 3n3t s ILE 519 CO 0.29 -0.15 0.20 1.33 0.00 0.00 0.00 174.94 176.60 3n3t n VAL 520 N 5.34 0.00 -2.66 2.92 0.24 -0.14 -4.94 118.33 119.09 3n3t n VAL 520 Ca 0.08 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 3n3t n VAL 520 Cb 0.47 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 3n3t n VAL 520 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3n3t n GLY 521 N 0.84 2.15 3.62 7.63 0.00 -1.08 -2.76 105.19 115.59 3n3t n GLY 521 Ca 0.01 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 3n3t n GLY 521 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3n3t s GLY 522 N -0.75 -0.14 -0.21 -0.02 0.00 -1.18 -0.80 107.32 104.21 3n3t s GLY 522 Ca 0.00 2.56 -0.10 0.00 0.00 0.00 0.00 44.72 47.17 3n3t s GLY 522 CO 0.00 1.60 0.15 1.85 0.00 0.00 0.00 173.10 176.70 3n3t s GLU 523 N -0.20 4.15 0.09 2.90 2.12 0.13 -1.35 118.70 126.53 3n3t s GLU 523 Ca 0.02 -0.22 -0.30 0.00 0.36 0.00 0.00 54.97 54.83 3n3t s GLU 523 Cb -0.04 -3.47 -0.06 0.00 0.26 0.00 0.00 34.13 30.83 3n3t s GLU 523 CO -0.05 0.20 1.17 0.00 -0.54 0.00 0.00 175.26 176.05 3n3t s ALA 524 N 0.64 3.38 -0.08 6.30 0.00 0.14 -1.08 121.76 131.06 3n3t s ALA 524 Ca 0.08 0.84 -0.00 0.00 0.00 0.00 0.00 51.96 52.88 3n3t s ALA 524 Cb -0.12 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.60 3n3t s ALA 524 CO 0.01 -0.38 -0.04 -0.51 0.00 0.00 0.00 175.76 174.83 3n3t s LEU 525 N 0.71 1.05 0.28 0.00 1.43 0.94 -4.50 118.68 118.59 3n3t s LEU 525 Ca 0.56 -0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 53.29 3n3t s LEU 525 Cb -0.29 -0.59 -0.09 0.00 0.03 0.00 0.00 46.19 45.25 3n3t s LEU 525 CO 0.31 -0.12 0.78 0.54 0.23 0.00 0.00 176.35 178.09 3n3t s VAL 526 N 1.50 4.53 0.08 -1.59 0.11 -1.26 -0.04 120.40 123.74 3n3t s VAL 526 Ca -0.01 1.28 -0.01 0.00 -2.93 0.00 0.00 61.98 60.32 3n3t s VAL 526 Cb -0.13 -3.78 -0.04 0.00 -1.53 0.00 0.00 36.38 30.89 3n3t s VAL 526 CO -0.04 0.04 -0.01 -0.13 -3.33 0.00 0.00 175.10 171.63 3n3t s ARG 527 N -2.39 0.74 -0.26 1.54 1.81 0.03 -3.91 118.95 116.50 3n3t s ARG 527 Ca 0.49 -1.30 -0.01 0.00 -1.72 0.00 0.00 55.73 53.18 3n3t s ARG 527 Cb -0.14 0.17 0.04 0.00 -0.45 0.00 0.00 34.95 34.56 3n3t s ARG 527 CO 0.20 -0.14 -0.05 -0.46 -0.68 0.00 0.00 175.30 174.16 3n3t s TRP 528 N -3.92 3.14 -0.93 -0.53 -0.00 -0.47 -0.85 118.94 115.38 3n3t s TRP 528 Ca 0.13 -1.71 -0.20 0.00 -0.00 0.00 0.00 56.10 54.32 3n3t s TRP 528 Cb 0.08 -2.06 0.10 0.00 -0.00 0.00 0.00 33.47 31.59 3n3t s TRP 528 CO -0.06 -0.76 1.20 -2.00 -0.00 0.00 0.00 176.95 175.33 3n3t s GLU 529 N 1.29 3.54 -0.27 5.86 2.56 -0.14 -0.87 118.70 130.67 3n3t s GLU 529 Ca -0.02 -1.47 -0.18 0.00 0.00 0.00 0.00 54.97 53.30 3n3t s GLU 529 Cb -0.18 -4.96 -0.03 0.00 2.00 0.00 0.00 34.13 30.97 3n3t s GLU 529 CO -0.04 -1.90 0.52 0.34 -0.56 0.00 0.00 175.26 173.62 3n3t s ASP 530 N 4.00 6.43 0.55 -1.70 -1.08 -0.54 -4.78 116.67 119.54 3n3t s ASP 530 Ca 0.35 0.48 0.25 0.00 -0.52 0.00 0.00 52.55 53.12 3n3t s ASP 530 Cb -0.05 -2.28 1.46 0.00 -1.46 0.00 0.00 42.92 40.59 3n3t s ASP 530 CO -0.07 -0.30 2.05 -0.65 0.52 0.00 0.00 175.17 176.72 3n3t h PRO 531 N 8.05 0.00 0.00 4.34 0.11 -1.93 0.79 132.00 143.37 3n3t h PRO 531 Ca -0.29 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 3n3t h PRO 531 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3n3t h PRO 531 CO 0.72 0.00 -0.07 0.93 -0.21 0.00 0.00 178.00 179.37 3n3t h GLU 532 N 0.00 0.00 0.00 1.05 5.08 -2.01 -3.41 114.58 115.30 3n3t h GLU 532 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3n3t h GLU 532 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3n3t h GLU 532 CO -0.00 0.01 -0.41 0.54 -1.00 0.00 0.00 179.01 178.15 3n3t n ARG 533 N -3.08 3.08 0.00 2.33 1.74 -0.41 -5.15 116.66 115.16 3n3t n ARG 533 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3n3t n ARG 533 Cb 0.54 -0.71 0.00 0.00 -1.02 0.00 0.00 32.46 31.27 3n3t n ARG 533 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3n3t n GLY 534 N 1.15 -0.57 3.55 -0.13 0.00 0.26 -4.87 105.19 104.59 3n3t n GLY 534 Ca 0.00 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 3n3t n GLY 534 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3n3t s LEU 535 N 0.00 3.31 0.00 0.99 2.96 -1.26 -1.47 118.68 123.21 3n3t s LEU 535 Ca 0.00 -0.89 0.00 0.00 -0.22 0.00 0.00 54.13 53.02 3n3t s LEU 535 Cb 0.00 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.13 3n3t s LEU 535 CO 0.00 -1.71 0.00 0.52 -1.32 0.00 0.00 176.35 173.84 3n3t n VAL 536 N 6.63 0.00 -0.03 1.68 0.31 -0.05 -4.92 118.33 121.96 3n3t n VAL 536 Ca 0.17 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.36 3n3t n VAL 536 Cb 0.50 -1.56 -0.14 0.00 -0.91 0.00 0.00 33.84 31.73 3n3t n VAL 536 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3n3t n PRO 538 N -0.80 0.68 0.29 5.55 -0.04 -1.25 -1.36 135.00 138.07 3n3t n PRO 538 Ca 0.00 0.25 0.18 0.00 -0.04 0.00 0.00 63.50 63.89 3n3t n PRO 538 Cb 0.00 -1.72 0.97 0.00 -0.04 0.00 0.00 33.50 32.71 3n3t n PRO 538 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3n3t h SER 539 N 0.03 0.00 0.20 3.54 4.64 -1.99 0.25 113.55 120.22 3n3t h SER 539 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3n3t h SER 539 Cb 2.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.13 3n3t h SER 539 CO 0.07 0.00 -0.25 0.00 -0.87 0.00 0.00 176.83 175.77 3n3t n ALA 540 N -2.17 3.08 0.00 5.18 0.00 -1.26 -4.52 120.51 120.82 3n3t n ALA 540 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3n3t n ALA 540 Cb 0.22 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3n3t n ALA 540 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3n3t n PHE 541 N -0.55 0.00 -0.18 0.00 1.16 -0.52 -4.85 117.46 112.52 3n3t n PHE 541 Ca 0.12 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.61 3n3t n PHE 541 Cb 0.36 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.23 3n3t n PHE 541 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 3n3t h ILE 542 N 0.00 1.26 -0.11 1.97 1.08 -0.80 0.15 117.51 121.06 3n3t h ILE 542 Ca 0.00 -1.01 -0.05 0.00 -0.39 0.00 0.00 64.86 63.41 3n3t h ILE 542 Cb 0.00 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 34.66 3n3t h ILE 542 CO 0.00 0.36 -0.17 -0.65 -0.69 0.00 0.00 178.15 177.00 3n3t h PRO 543 N 0.74 0.17 -0.08 2.37 0.11 -1.79 -1.32 132.00 132.19 3n3t h PRO 543 Ca 0.15 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 66.00 3n3t h PRO 543 Cb 0.46 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3n3t h PRO 543 CO 0.02 0.34 -0.82 0.00 -0.21 0.00 0.00 178.00 177.32 3n3t h ALA 544 N 1.68 0.40 0.00 -0.75 0.00 -1.73 -2.95 119.26 115.90 3n3t h ALA 544 Ca 0.03 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 3n3t h ALA 544 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3n3t h ALA 544 CO 0.03 0.74 -0.27 0.00 0.00 0.00 0.00 179.25 179.75 3n3t h ALA 545 N 0.71 1.32 0.00 0.00 0.00 -0.45 -2.80 119.26 118.04 3n3t h ALA 545 Ca -0.06 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 3n3t h ALA 545 Cb 1.44 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 3n3t h ALA 545 CO 0.15 0.33 -0.57 0.93 0.00 0.00 0.00 179.25 180.10 3n3t h GLU 546 N 0.00 0.00 0.00 0.00 5.08 -1.08 -1.00 114.58 117.58 3n3t h GLU 546 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3n3t h GLU 546 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3n3t h GLU 546 CO 0.03 0.57 -0.54 -0.44 -1.00 0.00 0.00 179.01 177.63 3n3t h ASP 547 N 0.00 0.00 -0.00 1.42 3.45 -1.39 -3.33 116.42 116.57 3n3t h ASP 547 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.45 3n3t h ASP 547 Cb 1.06 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.83 3n3t h ASP 547 CO 0.07 0.54 -0.65 0.35 -1.57 0.00 0.00 179.24 177.98 3n3t n THR 548 N -3.48 0.00 -0.59 0.35 -2.24 -1.18 -4.98 114.28 102.16 3n3t n THR 548 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3n3t n THR 548 Cb 0.64 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 3n3t n THR 548 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n3t n GLY 549 N 1.32 1.34 0.26 3.38 0.00 -0.97 -4.88 105.19 105.65 3n3t n GLY 549 Ca 0.03 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.22 3n3t n GLY 549 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3n3t h LEU 550 N 0.00 0.00 -1.06 0.99 5.85 -1.84 -2.66 115.31 116.59 3n3t h LEU 550 Ca 0.00 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.89 3n3t h LEU 550 Cb 0.00 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 40.93 3n3t h LEU 550 CO 0.00 0.00 0.62 -0.29 -0.34 0.00 0.00 178.44 178.43 3n3t h ILE 551 N 0.00 0.76 0.39 4.05 6.09 -1.54 -2.02 117.51 125.24 3n3t h ILE 551 Ca 0.00 -0.27 -0.00 0.00 -1.37 0.00 0.00 64.86 63.22 3n3t h ILE 551 Cb 0.34 -0.10 -0.03 0.00 0.47 0.00 0.00 36.82 37.51 3n3t h ILE 551 CO 0.00 0.14 -0.43 0.58 -3.07 0.00 0.00 178.15 175.38 3n3t h VAL 552 N 0.78 0.15 -0.69 2.19 2.07 -1.77 0.26 116.25 119.24 3n3t h VAL 552 Ca 0.55 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.14 3n3t h VAL 552 Cb 0.83 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3n3t h VAL 552 CO -0.33 0.00 0.45 0.00 0.02 0.00 0.00 177.57 177.71 3n3t h ALA 553 N -0.51 1.77 -0.15 1.67 0.00 -1.68 -1.37 119.26 118.99 3n3t h ALA 553 Ca -0.03 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 3n3t h ALA 553 Cb 0.76 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.39 3n3t h ALA 553 CO -0.09 0.11 -0.60 1.25 0.00 0.00 0.00 179.25 179.92 3n3t h LEU 554 N 0.67 0.78 -0.80 0.00 6.46 -0.93 -2.44 115.31 119.05 3n3t h LEU 554 Ca 0.30 -0.62 -0.09 0.00 -0.12 0.00 0.00 57.88 57.35 3n3t h LEU 554 Cb 0.32 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 3n3t h LEU 554 CO -0.10 1.27 -0.09 0.28 -0.62 0.00 0.00 178.44 179.18 3n3t h SER 555 N 0.34 0.79 -0.58 1.25 0.02 -0.25 -1.95 113.55 113.17 3n3t h SER 555 Ca -0.03 -0.23 0.04 0.00 -0.84 0.00 0.00 61.79 60.73 3n3t h SER 555 Cb 1.23 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.51 3n3t h SER 555 CO 0.13 0.91 0.32 0.44 -1.14 0.00 0.00 176.83 177.49 3n3t h ASP 556 N 0.73 0.48 -0.66 3.07 3.32 -1.18 -0.10 116.42 122.07 3n3t h ASP 556 Ca 0.12 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.26 3n3t h ASP 556 Cb 0.58 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.00 3n3t h ASP 556 CO 0.04 0.33 0.36 -0.25 -1.72 0.00 0.00 179.24 177.99 3n3t h TRP 557 N 0.61 0.65 -0.02 4.55 7.01 -1.14 -1.70 115.95 125.92 3n3t h TRP 557 Ca 0.25 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.27 3n3t h TRP 557 Cb 0.11 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 26.98 3n3t h TRP 557 CO -0.08 0.30 -0.00 0.28 -2.79 0.00 0.00 178.44 176.14 3n3t h VAL 558 N 0.65 1.28 -0.19 2.65 2.07 -0.64 0.17 116.25 122.24 3n3t h VAL 558 Ca 0.30 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 67.05 3n3t h VAL 558 Cb 0.22 1.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 3n3t h VAL 558 CO -0.20 0.22 -0.29 -0.07 0.02 0.00 0.00 177.57 177.26 3n3t h LEU 559 N -0.30 -0.90 -0.07 2.57 3.38 -0.95 0.18 115.31 119.22 3n3t h LEU 559 Ca 0.01 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3n3t h LEU 559 Cb 0.36 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3n3t h LEU 559 CO 0.00 -0.32 0.04 -0.08 0.09 0.00 0.00 178.44 178.17 3n3t h GLU 560 N -0.32 0.09 -0.94 1.13 4.81 -1.16 -1.31 114.58 116.88 3n3t h GLU 560 Ca 0.12 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3n3t h GLU 560 Cb 0.51 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 3n3t h GLU 560 CO -0.38 0.09 0.59 0.00 -0.73 0.00 0.00 179.01 178.58 3n3t h ALA 561 N 1.00 1.19 0.10 2.92 0.00 -0.33 0.50 119.26 124.63 3n3t h ALA 561 Ca 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3n3t h ALA 561 Cb 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3n3t h ALA 561 CO -0.00 0.62 -0.05 0.00 0.00 0.00 0.00 179.25 179.82 3n3t h THR 564 N 0.64 0.80 0.04 0.00 2.02 -0.75 -1.93 112.91 113.74 3n3t h THR 564 Ca 0.17 -0.26 -0.22 0.00 0.77 0.00 0.00 66.41 66.86 3n3t h THR 564 Cb 0.07 -0.03 0.02 0.00 -1.74 0.00 0.00 68.15 66.47 3n3t h THR 564 CO -0.03 0.14 -0.90 -0.61 0.37 0.00 0.00 175.52 174.50 3n3t h GLN 565 N 0.77 0.54 -0.81 6.66 5.75 -0.25 -1.71 115.11 126.07 3n3t h GLN 565 Ca 0.50 -0.63 -0.04 0.00 -0.15 0.00 0.00 58.65 58.33 3n3t h GLN 565 Cb 0.76 0.19 -0.04 0.00 1.07 0.00 0.00 27.48 29.46 3n3t h GLN 565 CO -0.27 1.25 0.36 1.25 -2.65 0.00 0.00 178.83 178.76 3n3t h LEU 566 N 0.11 1.08 -1.10 -2.39 5.85 -1.21 -1.80 115.31 115.85 3n3t h LEU 566 Ca -0.12 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 3n3t h LEU 566 Cb 1.59 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 3n3t h LEU 566 CO 0.17 0.93 0.36 0.03 -0.34 0.00 0.00 178.44 179.59 3n3t h ARG 567 N 1.16 0.98 0.02 1.25 2.47 -1.21 -0.59 114.38 118.47 3n3t h ARG 567 Ca 0.27 -0.12 -0.00 0.00 -1.26 0.00 0.00 59.98 58.87 3n3t h ARG 567 Cb 0.16 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 3n3t h ARG 567 CO -0.03 0.74 -0.01 0.00 0.56 0.00 0.00 179.97 181.23 3n3t h ALA 568 N 1.41 -0.03 -0.91 0.04 0.00 -0.64 -1.76 119.26 117.36 3n3t h ALA 568 Ca 0.25 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3n3t h ALA 568 Cb 0.07 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3n3t h ALA 568 CO -0.04 -0.39 0.59 -1.49 0.00 0.00 0.00 179.25 177.93 3n3t h TRP 569 N -0.28 1.11 -0.32 0.00 6.55 -1.17 0.28 115.95 122.11 3n3t h TRP 569 Ca -0.00 0.03 0.02 0.00 0.95 0.00 0.00 58.89 59.89 3n3t h TRP 569 Cb 0.27 -0.37 -0.03 0.00 -0.86 0.00 0.00 29.16 28.18 3n3t h TRP 569 CO 0.01 0.64 0.16 1.96 -1.05 0.00 0.00 178.44 180.17 3n3t h GLN 570 N 1.15 0.33 -0.29 0.49 4.20 -1.04 0.33 115.11 120.28 3n3t h GLN 570 Ca 0.36 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.94 3n3t h GLN 570 Cb -0.00 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3n3t h GLN 570 CO -0.12 0.22 -0.28 0.37 -0.67 0.00 0.00 178.83 178.35 3n3t h GLN 571 N 0.34 0.58 0.00 1.46 4.15 -0.75 -1.53 115.11 119.36 3n3t h GLN 571 Ca 0.13 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.31 3n3t h GLN 571 Cb 0.04 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.71 3n3t h GLN 571 CO -0.09 0.80 0.00 1.04 -1.93 0.00 0.00 178.83 178.65 3n3t n GLN 572 N -4.10 0.01 -0.60 1.69 6.02 0.93 -4.89 117.38 116.44 3n3t n GLN 572 Ca -0.00 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 3n3t n GLN 572 Cb 0.44 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.20 3n3t n GLN 572 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3n3t n GLY 573 N 0.84 0.71 0.08 1.08 0.00 -0.58 -4.96 105.19 102.37 3n3t n GLY 573 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 3n3t n GLY 573 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n3t n ARG 574 N -2.53 0.63 -3.48 1.61 1.74 0.11 -4.82 116.66 109.91 3n3t n ARG 574 Ca 0.00 0.05 -0.37 0.00 -0.77 0.00 0.00 57.85 56.76 3n3t n ARG 574 Cb 0.00 -1.73 -0.07 0.00 -1.02 0.00 0.00 32.46 29.63 3n3t n ARG 574 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n3t s ALA 575 N -3.31 3.57 0.89 7.54 0.00 -0.97 -4.69 121.76 124.80 3n3t s ALA 575 Ca -0.03 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 3n3t s ALA 575 Cb 0.10 -2.50 0.13 0.00 0.00 0.00 0.00 23.12 20.86 3n3t s ALA 575 CO 0.83 -0.10 1.09 0.00 0.00 0.00 0.00 175.76 177.58 3n3t s ALA 576 N 0.87 1.58 0.46 0.00 0.00 -1.26 -4.69 121.76 118.71 3n3t s ALA 576 Ca 0.17 -0.11 0.17 0.00 0.00 0.00 0.00 51.96 52.19 3n3t s ALA 576 Cb -0.14 -3.18 1.12 0.00 0.00 0.00 0.00 23.12 20.92 3n3t s ALA 576 CO 0.06 -2.32 1.98 0.22 0.00 0.00 0.00 175.76 175.70 3n3t h ASP 577 N -1.53 0.28 0.31 0.00 1.82 -2.00 -1.87 116.42 113.43 3n3t h ASP 577 Ca -0.50 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 3n3t h ASP 577 Cb 1.29 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.25 3n3t h ASP 577 CO 0.55 0.16 -0.12 -0.90 -1.61 0.00 0.00 179.24 177.32 3n3t n ASP 578 N -4.46 0.60 -4.68 2.28 5.75 -1.26 -4.89 116.55 109.89 3n3t n ASP 578 Ca 0.10 -0.69 -0.43 0.00 -0.01 0.00 0.00 54.79 53.77 3n3t n ASP 578 Cb 0.43 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.46 3n3t n ASP 578 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3n3t s LEU 579 N -2.44 4.23 0.39 -2.12 2.96 -0.71 -4.76 118.68 116.24 3n3t s LEU 579 Ca 0.29 1.72 0.08 0.00 -0.22 0.00 0.00 54.13 56.00 3n3t s LEU 579 Cb 0.20 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 3n3t s LEU 579 CO 0.47 -0.63 0.27 0.42 -1.32 0.00 0.00 176.35 175.56 3n3t s THR 580 N 2.67 2.72 0.03 3.68 -4.23 -1.11 -4.89 115.64 114.51 3n3t s THR 580 Ca 0.54 -1.51 0.04 0.00 -1.18 0.00 0.00 61.69 59.58 3n3t s THR 580 Cb -0.22 -3.02 -0.02 0.00 1.34 0.00 0.00 72.50 70.58 3n3t s THR 580 CO 0.18 -0.05 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.34 3n3t s LEU 581 N -4.00 2.16 0.09 4.79 1.43 -0.98 -3.10 118.68 119.07 3n3t s LEU 581 Ca 0.43 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 53.18 3n3t s LEU 581 Cb -0.01 -0.43 -0.04 0.00 0.03 0.00 0.00 46.19 45.73 3n3t s LEU 581 CO 0.25 -0.02 -0.04 -0.44 0.23 0.00 0.00 176.35 176.33 3n3t s SER 582 N -1.06 4.75 -0.06 2.29 0.01 -0.46 -1.53 113.70 117.65 3n3t s SER 582 Ca -0.01 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 57.00 3n3t s SER 582 Cb -0.07 -1.04 0.02 0.00 0.21 0.00 0.00 66.02 65.13 3n3t s SER 582 CO 0.01 0.18 -0.09 -0.69 0.41 0.00 0.00 173.24 173.05 3n3t s VAL 583 N -1.27 0.90 0.06 3.43 1.01 -0.69 -0.68 120.40 123.17 3n3t s VAL 583 Ca 0.24 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.57 3n3t s VAL 583 Cb -0.11 -0.85 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 3n3t s VAL 583 CO 0.16 0.30 1.35 0.20 0.00 0.00 0.00 175.10 177.12 3n3t s ASN 584 N 0.74 6.89 -0.15 3.32 0.01 -1.26 -1.08 114.94 123.42 3n3t s ASN 584 Ca -0.14 2.18 -0.01 0.00 -0.71 0.00 0.00 52.86 54.18 3n3t s ASN 584 Cb -0.15 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 38.92 3n3t s ASN 584 CO 0.02 -0.64 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.23 3n3t s ILE 585 N 1.57 3.14 0.40 0.60 -1.09 0.39 -4.91 121.20 121.30 3n3t s ILE 585 Ca 0.63 -0.62 -0.24 0.00 -2.23 0.00 0.00 60.65 58.19 3n3t s ILE 585 Cb -0.33 -2.34 -0.09 0.00 -1.58 0.00 0.00 42.46 38.11 3n3t s ILE 585 CO 0.29 0.51 1.04 -0.55 -1.23 0.00 0.00 174.94 174.99 3n3t s SER 586 N 0.55 6.79 0.52 3.58 0.15 -1.26 -4.44 113.70 119.59 3n3t s SER 586 Ca -0.07 2.00 0.20 0.00 0.70 0.00 0.00 55.95 58.78 3n3t s SER 586 Cb -0.15 -2.58 1.31 0.00 -1.71 0.00 0.00 66.02 62.89 3n3t s SER 586 CO 0.03 -0.47 2.08 0.71 1.20 0.00 0.00 173.24 176.80 3n3t h THR 587 N 2.18 0.89 -1.13 6.45 1.35 -1.97 -2.21 112.91 118.47 3n3t h THR 587 Ca -0.48 -0.00 0.33 0.00 -0.55 0.00 0.00 66.41 65.70 3n3t h THR 587 Cb 1.21 0.87 -0.05 0.00 -1.73 0.00 0.00 68.15 68.46 3n3t h THR 587 CO 0.62 0.00 0.89 0.03 -0.25 0.00 0.00 175.52 176.81 3n3t h ARG 588 N 0.01 0.00 0.00 4.72 2.47 -1.98 -2.17 114.38 117.44 3n3t h ARG 588 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 3n3t h ARG 588 Cb 0.43 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3n3t h ARG 588 CO -0.00 0.00 0.00 1.04 0.56 0.00 0.00 179.97 181.57 3n3t n GLN 589 N -3.98 0.79 0.08 0.04 6.02 -0.83 -3.21 117.38 116.30 3n3t n GLN 589 Ca 0.24 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.28 3n3t n GLN 589 Cb 1.26 -1.45 -0.03 0.00 1.02 0.00 0.00 30.24 31.04 3n3t n GLN 589 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3n3t h PHE 590 N 0.00 0.00 -2.13 1.08 0.04 -1.62 -0.43 116.94 113.89 3n3t h PHE 590 Ca 0.00 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.17 3n3t h PHE 590 Cb 0.00 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.19 3n3t h PHE 590 CO 0.00 0.35 0.88 -1.91 -0.60 0.00 0.00 178.31 177.04 3n3t n GLU 591 N -2.87 2.07 -2.00 1.51 2.13 -1.20 -1.05 120.64 119.23 3n3t n GLU 591 Ca -0.04 0.75 -0.14 0.00 0.66 0.00 0.00 57.16 58.38 3n3t n GLU 591 Cb 0.72 -2.54 -0.02 0.00 0.27 0.00 0.00 31.44 29.87 3n3t n GLU 591 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3n3t n GLY 592 N 3.72 0.31 2.61 8.31 0.00 -1.26 -2.76 105.19 116.12 3n3t n GLY 592 Ca 0.19 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 3n3t n GLY 592 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3n3t n GLU 593 N -2.44 -2.53 -0.34 1.61 1.02 -0.22 -4.85 120.64 112.90 3n3t n GLU 593 Ca -0.16 0.52 -0.01 0.00 -0.02 0.00 0.00 57.16 57.49 3n3t n GLU 593 Cb 0.58 -5.13 0.15 0.00 -0.02 0.00 0.00 31.44 27.02 3n3t n GLU 593 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3n3t h HIS 594 N -0.18 1.18 -0.59 -0.32 2.76 -1.59 -3.11 115.15 113.31 3n3t h HIS 594 Ca -0.29 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.03 3n3t h HIS 594 Cb 1.21 -0.40 -0.10 0.00 1.55 0.00 0.00 27.41 29.67 3n3t h HIS 594 CO 0.71 0.73 -0.02 1.25 -1.30 0.00 0.00 177.93 179.30 3n3t h LEU 595 N 1.26 -0.31 -0.49 0.26 5.85 -1.36 -0.64 115.31 119.88 3n3t h LEU 595 Ca 0.35 0.15 0.08 0.00 0.84 0.00 0.00 57.88 59.30 3n3t h LEU 595 Cb -0.12 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 3n3t h LEU 595 CO -0.08 -0.12 0.10 0.74 -0.34 0.00 0.00 178.44 178.74 3n3t h THR 596 N 0.10 0.73 -0.49 1.05 2.02 -1.85 -0.61 112.91 113.86 3n3t h THR 596 Ca 0.30 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 67.28 3n3t h THR 596 Cb 0.48 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3n3t h THR 596 CO -0.52 0.04 -0.14 0.03 0.37 0.00 0.00 175.52 175.31 3n3t h ARG 597 N 0.24 0.96 -0.24 6.66 3.08 -1.40 -1.20 114.38 122.48 3n3t h ARG 597 Ca 0.25 -0.38 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 3n3t h ARG 597 Cb 0.32 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3n3t h ARG 597 CO -0.32 1.04 -0.28 0.00 -1.07 0.00 0.00 179.97 179.34 3n3t h ALA 598 N 0.89 1.06 -0.06 0.04 0.00 -0.76 -0.71 119.26 119.72 3n3t h ALA 598 Ca 0.12 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3n3t h ALA 598 Cb 0.70 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3n3t h ALA 598 CO 0.05 0.57 -0.08 0.28 0.00 0.00 0.00 179.25 180.07 3n3t h VAL 599 N 0.42 1.39 -0.59 0.00 2.07 -1.00 -2.55 116.25 115.98 3n3t h VAL 599 Ca 0.06 -1.31 0.12 0.00 0.82 0.00 0.00 66.70 66.39 3n3t h VAL 599 Cb 0.71 2.13 -0.10 0.00 -1.52 0.00 0.00 31.29 32.51 3n3t h VAL 599 CO 0.05 0.36 0.03 0.44 0.02 0.00 0.00 177.57 178.47 3n3t h ASP 600 N -0.30 -0.20 -0.55 0.57 5.19 -0.97 -0.71 116.42 119.44 3n3t h ASP 600 Ca 0.01 0.14 -0.07 0.00 -0.62 0.00 0.00 57.03 56.49 3n3t h ASP 600 Cb 0.62 0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.34 3n3t h ASP 600 CO 0.02 -0.08 0.08 -0.09 -3.12 0.00 0.00 179.24 176.05 3n3t h ARG 601 N 0.15 0.92 -0.40 3.56 2.43 -1.20 0.17 114.38 120.01 3n3t h ARG 601 Ca 0.31 -0.25 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 3n3t h ARG 601 Cb 0.49 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3n3t h ARG 601 CO -0.48 0.89 -0.30 0.00 -1.51 0.00 0.00 179.97 178.57 3n3t h ALA 602 N 0.99 0.58 -0.47 2.80 0.00 -1.07 -0.12 119.26 121.98 3n3t h ALA 602 Ca 0.17 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3n3t h ALA 602 Cb 0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3n3t h ALA 602 CO 0.01 0.62 -0.24 -0.07 0.00 0.00 0.00 179.25 179.57 3n3t h LEU 603 N 0.73 1.02 -0.88 0.00 3.38 -1.07 -2.69 115.31 115.80 3n3t h LEU 603 Ca 0.08 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.55 3n3t h LEU 603 Cb 0.89 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3n3t h LEU 603 CO 0.08 1.20 -0.25 0.00 0.09 0.00 0.00 178.44 179.56 3n3t h ALA 604 N 0.87 1.05 -0.00 1.53 0.00 -0.51 0.39 119.26 122.59 3n3t h ALA 604 Ca 0.10 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 3n3t h ALA 604 Cb 0.83 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3n3t h ALA 604 CO 0.07 0.58 -0.77 0.00 0.00 0.00 0.00 179.25 179.13 3n3t h ARG 605 N 0.47 0.05 0.00 0.00 3.08 -1.02 -3.34 114.38 113.63 3n3t h ARG 605 Ca 0.07 -0.05 -0.35 0.00 0.07 0.00 0.00 59.98 59.72 3n3t h ARG 605 Cb 0.69 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.69 3n3t h ARG 605 CO 0.05 0.79 -2.32 -1.13 -1.07 0.00 0.00 179.97 176.29 3n3t n SER 606 N -3.66 0.21 0.00 7.04 3.41 -1.02 -4.98 113.62 114.62 3n3t n SER 606 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3n3t n SER 606 Cb 0.74 1.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.69 3n3t n SER 606 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n3t n GLY 607 N 1.79 0.73 3.75 5.00 0.00 0.14 -4.92 105.19 111.67 3n3t n GLY 607 Ca -0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 3n3t n GLY 607 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3n3t s LEU 608 N 0.00 4.36 0.22 0.99 2.96 -1.21 -4.97 118.68 121.03 3n3t s LEU 608 Ca 0.00 2.86 -0.30 0.00 -0.22 0.00 0.00 54.13 56.46 3n3t s LEU 608 Cb 0.00 -3.63 -0.09 0.00 0.50 0.00 0.00 46.19 42.97 3n3t s LEU 608 CO 0.00 -0.86 1.37 -0.13 -1.32 0.00 0.00 176.35 175.41 3n3t s ARG 609 N -0.31 4.33 0.43 1.98 0.52 -1.26 -4.82 118.95 119.82 3n3t s ARG 609 Ca 0.63 2.17 0.14 0.00 -0.52 0.00 0.00 55.73 58.15 3n3t s ARG 609 Cb -0.46 -3.15 1.03 0.00 0.52 0.00 0.00 34.95 32.89 3n3t s ARG 609 CO 0.45 -0.33 1.98 -1.00 0.02 0.00 0.00 175.30 176.42 3n3t h PRO 610 N 5.18 0.40 -1.12 3.54 0.13 -1.91 -0.29 132.00 137.93 3n3t h PRO 610 Ca -0.45 -0.02 0.32 0.00 -0.87 0.00 0.00 66.00 64.98 3n3t h PRO 610 Cb 1.22 -0.09 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 3n3t h PRO 610 CO 0.77 0.26 0.80 0.22 -0.23 0.00 0.00 178.00 179.83 3n3t h ASP 611 N 0.41 0.00 -0.08 1.44 3.58 -1.83 -2.27 116.42 117.67 3n3t h ASP 611 Ca 0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.73 3n3t h ASP 611 Cb 0.56 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 3n3t h ASP 611 CO -0.08 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.28 3n3t s LEU 613 N -1.86 2.29 0.05 0.00 2.96 -0.85 -2.32 118.68 118.94 3n3t s LEU 613 Ca 0.35 -0.47 0.08 0.00 -0.22 0.00 0.00 54.13 53.88 3n3t s LEU 613 Cb 0.20 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 3n3t s LEU 613 CO 0.31 0.19 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.60 3n3t s GLU 614 N 0.18 1.89 -0.10 1.98 2.12 -0.58 -2.84 118.70 121.34 3n3t s GLU 614 Ca -0.12 -1.07 0.01 0.00 0.36 0.00 0.00 54.97 54.15 3n3t s GLU 614 Cb -0.16 -2.06 -0.02 0.00 0.26 0.00 0.00 34.13 32.15 3n3t s GLU 614 CO 0.07 0.52 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.66 3n3t s LEU 615 N -1.36 2.71 -0.21 2.70 1.43 0.90 -1.70 118.68 123.16 3n3t s LEU 615 Ca 0.13 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 3n3t s LEU 615 Cb -0.10 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 3n3t s LEU 615 CO 0.04 0.23 0.04 -1.61 0.23 0.00 0.00 176.35 175.28 3n3t s GLU 616 N -0.06 3.74 0.02 1.70 2.02 -0.24 -0.37 118.70 125.50 3n3t s GLU 616 Ca -0.03 -0.46 0.06 0.00 0.02 0.00 0.00 54.97 54.57 3n3t s GLU 616 Cb -0.14 -3.18 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 3n3t s GLU 616 CO 0.04 0.04 -0.18 0.42 0.02 0.00 0.00 175.26 175.60 3n3t s ILE 617 N 0.97 1.45 0.59 -1.63 1.01 -0.35 -0.46 121.20 122.77 3n3t s ILE 617 Ca 0.03 -0.97 -0.19 0.00 0.00 0.00 0.00 60.65 59.52 3n3t s ILE 617 Cb -0.14 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 3n3t s ILE 617 CO 0.02 0.26 1.20 0.28 0.00 0.00 0.00 174.94 176.70 3n3t s THR 618 N -0.64 2.67 0.30 2.92 -1.32 -1.26 0.20 115.64 118.51 3n3t s THR 618 Ca 0.06 0.42 0.06 0.00 -1.21 0.00 0.00 61.69 61.02 3n3t s THR 618 Cb -0.08 -3.17 0.30 0.00 -1.51 0.00 0.00 72.50 68.04 3n3t s THR 618 CO 0.01 -0.09 1.73 -0.08 -2.21 0.00 0.00 174.62 173.98 3n3t h GLU 619 N 0.93 0.55 0.00 7.08 4.81 -1.39 -2.18 114.58 124.38 3n3t h GLU 619 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3n3t h GLU 619 Cb 1.29 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3n3t h GLU 619 CO 0.55 0.36 0.00 0.09 -0.73 0.00 0.00 179.01 179.28 3n3t n ASN 620 N -4.91 0.00 -2.29 1.04 3.02 -1.26 -4.64 115.26 106.21 3n3t n ASN 620 Ca 0.24 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 3n3t n ASN 620 Cb 0.66 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 3n3t n ASN 620 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 3n3t n VAL 621 N -0.90 0.00 0.00 2.41 3.14 -0.82 -3.77 118.33 118.40 3n3t n VAL 621 Ca 0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 3n3t n VAL 621 Cb 0.04 -1.03 0.00 0.00 -1.06 0.00 0.00 33.84 31.79 3n3t n VAL 621 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3n3t n LEU 623 N 2.24 0.00 -4.29 6.55 4.77 -1.26 -4.88 117.00 120.13 3n3t n LEU 623 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 3n3t n LEU 623 Cb 0.00 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 3n3t n LEU 623 CO 0.09 0.00 -0.53 0.68 -1.33 0.00 0.00 177.39 176.31 3n3t s VAL 624 N 0.00 2.38 0.00 4.08 -7.23 -1.25 -5.26 120.40 113.12 3n3t s VAL 624 Ca 0.00 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 3n3t s VAL 624 Cb 0.00 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 35.02 3n3t s VAL 624 CO 0.00 0.56 0.00 0.35 -0.31 0.00 0.00 175.10 175.70 3n3t n THR 626 N 3.22 0.00 -0.38 5.32 -2.24 -1.26 -4.87 114.28 114.07 3n3t n THR 626 Ca -0.18 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.52 3n3t n THR 626 Cb 0.53 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 3n3t n THR 626 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3n3t n ASP 627 N 0.00 -0.89 -0.34 3.42 8.00 -1.26 -0.05 116.55 125.43 3n3t n ASP 627 Ca 0.00 1.66 0.02 0.00 0.71 0.00 0.00 54.79 57.18 3n3t n ASP 627 Cb 0.00 -0.26 0.08 0.00 -0.02 0.00 0.00 41.12 40.92 3n3t n ASP 627 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3n3t n GLU 628 N -5.23 -0.16 -0.07 -1.24 2.13 -1.26 -0.44 120.64 114.38 3n3t n GLU 628 Ca 0.04 1.42 -0.15 0.00 0.66 0.00 0.00 57.16 59.13 3n3t n GLU 628 Cb 0.28 -2.12 -0.05 0.00 0.27 0.00 0.00 31.44 29.82 3n3t n GLU 628 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3n3t h VAL 629 N 0.00 1.29 0.00 6.31 2.07 -0.90 -2.85 116.25 122.17 3n3t h VAL 629 Ca 0.37 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.13 3n3t h VAL 629 Cb 0.60 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 3n3t h VAL 629 CO -0.93 0.55 -0.17 0.03 0.02 0.00 0.00 177.57 177.07 3n3t h ARG 630 N 0.53 0.00 -0.12 1.57 3.08 0.81 -2.45 114.38 117.81 3n3t h ARG 630 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 3n3t h ARG 630 Cb 1.13 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.19 3n3t h ARG 630 CO 0.12 0.17 -0.75 1.15 -1.07 0.00 0.00 179.97 179.59 3n3t h THR 631 N 0.00 1.30 -0.33 2.04 2.02 -0.67 -1.94 112.91 115.32 3n3t h THR 631 Ca -0.00 -1.98 0.00 0.00 0.77 0.00 0.00 66.41 65.20 3n3t h THR 631 Cb 0.34 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 3n3t h THR 631 CO 0.02 0.62 0.21 0.00 0.37 0.00 0.00 175.52 176.74 3n3t h LEU 633 N 0.44 0.29 -0.62 0.00 3.38 -1.50 0.12 115.31 117.41 3n3t h LEU 633 Ca 0.12 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3n3t h LEU 633 Cb -0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3n3t h LEU 633 CO -0.02 0.37 0.21 0.44 0.09 0.00 0.00 178.44 179.53 3n3t h ASP 634 N 0.19 0.89 -0.26 -0.43 3.32 -1.32 -1.31 116.42 117.51 3n3t h ASP 634 Ca 0.07 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 56.97 3n3t h ASP 634 Cb 0.17 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 3n3t h ASP 634 CO -0.01 0.85 -0.06 0.00 -1.72 0.00 0.00 179.24 178.31 3n3t h ALA 635 N 1.07 0.18 -0.30 3.45 0.00 -0.79 -1.50 119.26 121.37 3n3t h ALA 635 Ca 0.20 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3n3t h ALA 635 Cb 0.27 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3n3t h ALA 635 CO -0.01 -0.46 0.03 -0.07 0.00 0.00 0.00 179.25 178.74 3n3t h LEU 636 N 0.01 0.49 -0.84 0.00 3.38 -0.47 -1.65 115.31 116.23 3n3t h LEU 636 Ca 0.12 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 57.92 3n3t h LEU 636 Cb 0.19 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 3n3t h LEU 636 CO -0.26 0.65 0.47 0.03 0.09 0.00 0.00 178.44 179.42 3n3t h ARG 637 N 0.32 0.75 -0.29 1.13 3.08 -1.21 -2.06 114.38 116.10 3n3t h ARG 637 Ca 0.09 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3n3t h ARG 637 Cb 0.38 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3n3t h ARG 637 CO 0.01 0.50 -0.01 0.00 -1.07 0.00 0.00 179.97 179.40 3n3t h ALA 638 N 1.47 1.45 -0.11 0.04 0.00 -0.85 -1.69 119.26 119.59 3n3t h ALA 638 Ca 0.41 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3n3t h ALA 638 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3n3t h ALA 638 CO -0.27 0.39 -0.18 -0.09 0.00 0.00 0.00 179.25 179.10 3n3t h ARG 639 N 0.43 0.17 0.00 0.00 9.65 -0.66 -3.47 114.38 120.51 3n3t h ARG 639 Ca 0.09 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3n3t h ARG 639 Cb 0.29 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 3n3t h ARG 639 CO 0.01 0.36 0.00 0.41 2.80 0.00 0.00 179.97 183.55 3n3t n GLY 640 N -0.82 0.88 3.65 2.80 0.00 -0.63 -4.68 105.19 106.39 3n3t n GLY 640 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3n3t n GLY 640 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n3t s VAL 641 N -2.00 4.01 0.31 1.61 1.01 -0.84 -3.73 120.40 120.77 3n3t s VAL 641 Ca 0.00 1.21 -0.28 0.00 0.00 0.00 0.00 61.98 62.91 3n3t s VAL 641 Cb 0.00 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 3n3t s VAL 641 CO 0.00 -0.16 1.09 -0.13 0.00 0.00 0.00 175.10 175.89 3n3t s ARG 642 N 3.84 4.52 -0.02 2.72 0.52 -1.13 -3.98 118.95 125.41 3n3t s ARG 642 Ca 0.62 1.73 0.07 0.00 -0.52 0.00 0.00 55.73 57.63 3n3t s ARG 642 Cb -0.25 -3.03 -0.02 0.00 0.52 0.00 0.00 34.95 32.17 3n3t s ARG 642 CO 0.21 0.13 -0.24 -0.51 0.02 0.00 0.00 175.30 174.90 3n3t s LEU 643 N -1.74 2.05 0.06 2.53 1.43 -1.26 -0.07 118.68 121.68 3n3t s LEU 643 Ca 0.48 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 3n3t s LEU 643 Cb -0.30 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 3n3t s LEU 643 CO 0.38 0.29 -0.11 0.00 0.23 0.00 0.00 176.35 177.14 3n3t s ALA 644 N -0.52 0.92 -0.25 4.21 0.00 0.50 -1.94 121.76 124.67 3n3t s ALA 644 Ca 0.08 -0.94 -0.18 0.00 0.00 0.00 0.00 51.96 50.92 3n3t s ALA 644 Cb -0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 3n3t s ALA 644 CO -0.00 0.05 0.50 -0.51 0.00 0.00 0.00 175.76 175.80 3n3t s LEU 645 N -1.81 4.06 0.23 0.00 1.43 -0.29 -1.21 118.68 121.09 3n3t s LEU 645 Ca -0.04 0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 53.57 3n3t s LEU 645 Cb -0.09 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 3n3t s LEU 645 CO 0.01 -0.26 0.42 -0.62 0.23 0.00 0.00 176.35 176.13 3n3t s ASP 646 N 1.51 6.37 -1.38 2.29 -1.08 0.13 0.52 116.67 125.03 3n3t s ASP 646 Ca 0.21 0.39 0.00 0.00 -0.52 0.00 0.00 52.55 52.63 3n3t s ASP 646 Cb -0.16 -2.01 0.00 0.00 -1.46 0.00 0.00 42.92 39.30 3n3t s ASP 646 CO 0.09 -0.09 0.00 0.47 0.52 0.00 0.00 175.17 176.16 3n3t n ASP 647 N -0.90 -4.56 -4.76 -0.34 8.00 -1.19 -1.04 116.55 111.75 3n3t n ASP 647 Ca -0.05 0.18 -0.41 0.00 0.71 0.00 0.00 54.79 55.22 3n3t n ASP 647 Cb 0.54 -3.51 -0.01 0.00 -0.02 0.00 0.00 41.12 38.12 3n3t n ASP 647 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3n3t s PHE 648 N -2.62 2.71 0.00 1.24 5.36 0.14 -1.80 117.98 123.01 3n3t s PHE 648 Ca 0.00 0.92 0.00 0.00 -0.96 0.00 0.00 56.93 56.89 3n3t s PHE 648 Cb 0.00 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.64 3n3t s PHE 648 CO 0.00 -3.35 0.00 0.41 -1.46 0.00 0.00 175.22 170.82 3n3t n GLY 649 N 1.61 2.01 0.01 13.12 0.00 -1.26 -1.90 105.19 118.78 3n3t n GLY 649 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 3n3t n GLY 649 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3n3t n THR 650 N -2.00 0.07 0.00 2.61 -2.24 -0.75 -4.95 114.28 107.02 3n3t n THR 650 Ca 0.00 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3n3t n THR 650 Cb 0.00 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3n3t n THR 650 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n3t n GLY 651 N 1.43 4.24 2.99 3.38 0.00 -1.26 -5.04 105.19 110.94 3n3t n GLY 651 Ca 0.03 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 3n3t n GLY 651 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n3t s TYR 652 N 4.25 -0.05 0.02 1.61 2.02 -1.26 -5.01 117.35 118.92 3n3t s TYR 652 Ca 0.00 0.13 0.01 0.00 -0.37 0.00 0.00 57.07 56.84 3n3t s TYR 652 Cb 0.00 0.00 -0.01 0.00 -0.40 0.00 0.00 41.96 41.55 3n3t s TYR 652 CO 0.00 -0.10 -0.04 -1.12 -1.57 0.00 0.00 175.55 172.72 3n3t s SER 653 N -0.30 0.41 -0.22 2.29 0.01 -1.26 -4.49 113.70 110.14 3n3t s SER 653 Ca -0.04 -0.33 -0.12 0.00 1.31 0.00 0.00 55.95 56.77 3n3t s SER 653 Cb -0.03 0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.19 3n3t s SER 653 CO 0.00 -0.15 0.24 -0.55 0.41 0.00 0.00 173.24 173.19 3n3t s SER 654 N -0.95 6.25 0.23 2.44 0.15 -1.26 -5.00 113.70 115.56 3n3t s SER 654 Ca -0.08 0.28 -0.07 0.00 0.70 0.00 0.00 55.95 56.78 3n3t s SER 654 Cb -0.06 -2.15 0.19 0.00 -1.71 0.00 0.00 66.02 62.29 3n3t s SER 654 CO -0.00 0.04 1.84 -0.07 1.20 0.00 0.00 173.24 176.25 3n3t h LEU 655 N 7.35 1.11 -0.66 3.45 4.07 -2.00 -1.43 115.31 127.19 3n3t h LEU 655 Ca -0.38 -0.11 -0.05 0.00 0.08 0.00 0.00 57.88 57.42 3n3t h LEU 655 Cb 1.16 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 42.59 3n3t h LEU 655 CO 0.70 0.91 0.24 0.77 -1.08 0.00 0.00 178.44 179.97 3n3t h SER 656 N 1.23 0.94 0.57 -0.43 4.64 -1.99 -1.67 113.55 116.84 3n3t h SER 656 Ca 0.30 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 3n3t h SER 656 Cb 0.06 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 3n3t h SER 656 CO -0.04 0.88 -0.38 1.88 -0.87 0.00 0.00 176.83 178.30 3n3t h TYR 657 N 0.95 -1.00 -1.01 4.77 0.05 -1.92 -1.37 116.97 117.44 3n3t h TYR 657 Ca 0.22 -0.01 0.23 0.00 0.05 0.00 0.00 58.73 59.23 3n3t h TYR 657 Cb 0.25 0.36 -0.11 0.00 1.01 0.00 0.00 36.73 38.24 3n3t h TYR 657 CO 0.02 -0.56 0.61 -0.07 -1.05 0.00 0.00 178.16 177.11 3n3t h LEU 658 N -0.90 0.66 -1.04 3.88 3.38 -1.08 1.97 115.31 122.18 3n3t h LEU 658 Ca -0.07 0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3n3t h LEU 658 Cb 0.75 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3n3t h LEU 658 CO 0.05 0.15 -0.37 -1.28 0.09 0.00 0.00 178.44 177.07 3n3t h SER 659 N 0.59 0.00 0.00 -0.43 0.87 -1.16 -3.37 113.55 110.05 3n3t h SER 659 Ca 0.62 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.86 3n3t h SER 659 Cb 1.19 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.09 3n3t h SER 659 CO -0.42 0.37 -2.20 0.00 -0.53 0.00 0.00 176.83 174.05 3n3t n GLN 660 N -3.62 0.88 -1.98 2.24 6.02 0.44 -5.00 117.38 116.36 3n3t n GLN 660 Ca -0.01 0.06 -0.34 0.00 -0.01 0.00 0.00 57.00 56.71 3n3t n GLN 660 Cb 0.48 -1.44 0.02 0.00 1.02 0.00 0.00 30.24 30.33 3n3t n GLN 660 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3n3t s LEU 661 N -5.76 3.52 -0.23 1.08 1.43 0.56 -4.93 118.68 114.36 3n3t s LEU 661 Ca -0.19 2.01 -0.01 0.00 -1.03 0.00 0.00 54.13 54.91 3n3t s LEU 661 Cb 0.06 -4.56 0.11 0.00 0.03 0.00 0.00 46.19 41.83 3n3t s LEU 661 CO 0.60 -1.40 2.21 -0.81 0.23 0.00 0.00 176.35 177.18 3n3t n PRO 662 N -1.99 1.67 -2.81 1.29 -0.04 -1.26 -4.85 135.00 127.00 3n3t n PRO 662 Ca 0.10 -1.19 -0.43 0.00 -0.04 0.00 0.00 63.50 61.95 3n3t n PRO 662 Cb 0.52 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 3n3t n PRO 662 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3n3t s PHE 663 N -1.12 3.10 -0.39 0.54 0.08 -1.26 -4.51 117.98 114.41 3n3t s PHE 663 Ca 0.28 0.79 0.22 0.00 0.12 0.00 0.00 56.93 58.35 3n3t s PHE 663 Cb 0.20 -3.60 0.28 0.00 -0.57 0.00 0.00 43.02 39.32 3n3t s PHE 663 CO -0.03 -0.80 1.53 1.12 -0.10 0.00 0.00 175.22 176.94 3n3t h HIS 664 N 8.42 0.00 -3.68 0.36 2.07 -1.72 -3.48 115.15 117.12 3n3t h HIS 664 Ca -0.23 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.22 3n3t h HIS 664 Cb 1.08 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 30.96 3n3t h HIS 664 CO 0.83 0.04 -0.15 0.20 -3.07 0.00 0.00 177.93 175.78 3n3t s GLY 665 N -4.25 0.49 0.09 6.13 0.00 -1.21 -1.11 107.32 107.46 3n3t s GLY 665 Ca 0.06 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.95 3n3t s GLY 665 CO 0.69 -0.64 -0.05 0.48 0.00 0.00 0.00 173.10 173.58 3n3t s LEU 666 N -3.00 2.47 -0.24 0.66 0.05 -0.07 -1.14 118.68 117.40 3n3t s LEU 666 Ca 0.21 -1.02 0.01 0.00 0.05 0.00 0.00 54.13 53.38 3n3t s LEU 666 Cb 0.00 0.00 0.04 0.00 -2.05 0.00 0.00 46.19 44.18 3n3t s LEU 666 CO 0.07 -0.51 -0.11 -0.54 -0.55 0.00 0.00 176.35 174.71 3n3t s LYS 667 N -3.86 2.59 0.04 1.48 1.02 0.19 -0.85 119.74 120.33 3n3t s LYS 667 Ca 0.12 -1.12 -0.30 0.00 0.02 0.00 0.00 55.97 54.68 3n3t s LYS 667 Cb 0.06 -2.86 -0.07 0.00 -0.52 0.00 0.00 37.83 34.44 3n3t s LYS 667 CO -0.05 -0.44 1.63 0.42 -0.92 0.00 0.00 175.35 175.98 3n3t s ILE 668 N 1.21 3.23 0.36 2.17 1.01 0.20 0.25 121.20 129.63 3n3t s ILE 668 Ca -0.03 0.60 -0.27 0.00 0.00 0.00 0.00 60.65 60.94 3n3t s ILE 668 Cb -0.17 -3.38 -0.12 0.00 0.01 0.00 0.00 42.46 38.80 3n3t s ILE 668 CO -0.07 -0.01 1.28 -0.67 0.00 0.00 0.00 174.94 175.47 3n3t n ASP 669 N 5.93 2.68 -0.18 3.58 2.03 -0.80 -2.07 116.55 127.71 3n3t n ASP 669 Ca 0.16 1.18 0.20 0.00 0.52 0.00 0.00 54.79 56.85 3n3t n ASP 669 Cb 0.41 -1.49 0.57 0.00 -0.72 0.00 0.00 41.12 39.90 3n3t n ASP 669 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 3n3t h GLN 670 N 2.41 0.27 0.00 -0.67 3.07 -1.92 -2.36 115.11 115.91 3n3t h GLN 670 Ca -0.47 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.23 3n3t h GLN 670 Cb 1.29 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 28.78 3n3t h GLN 670 CO 0.62 0.18 -0.14 0.66 0.09 0.00 0.00 178.83 180.23 3n3t h SER 671 N 0.28 0.00 0.12 0.06 4.64 -1.90 -2.66 113.55 114.09 3n3t h SER 671 Ca 0.41 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.45 3n3t h SER 671 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3n3t h SER 671 CO -0.11 0.14 -1.46 -0.26 -0.87 0.00 0.00 176.83 174.27 3n3t h PHE 672 N 0.00 0.47 -0.46 4.77 0.04 -1.79 -3.41 116.94 116.57 3n3t h PHE 672 Ca -0.00 -0.34 -0.03 0.00 2.80 0.00 0.00 57.97 60.39 3n3t h PHE 672 Cb 0.36 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 3n3t h PHE 672 CO 0.00 1.57 0.16 0.28 -0.60 0.00 0.00 178.31 179.72 3n3t h VAL 673 N -0.25 1.22 0.00 -0.55 2.07 -1.41 -2.98 116.25 114.35 3n3t h VAL 673 Ca -0.31 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3n3t h VAL 673 Cb 1.80 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3n3t h VAL 673 CO 0.07 0.25 0.00 0.54 0.02 0.00 0.00 177.57 178.45 3n3t n ARG 674 N -4.57 0.20 -0.04 1.57 1.74 -1.03 -2.11 116.66 112.43 3n3t n ARG 674 Ca 0.01 0.15 0.07 0.00 -0.77 0.00 0.00 57.85 57.31 3n3t n ARG 674 Cb 0.17 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.20 3n3t n ARG 674 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3n3t n LYS 675 N -1.24 1.34 -4.04 5.56 5.02 -1.12 -5.00 118.16 118.68 3n3t n LYS 675 Ca 0.06 -1.52 -0.24 0.00 -2.02 0.00 0.00 58.31 54.59 3n3t n LYS 675 Cb 0.09 -1.30 -0.04 0.00 -0.02 0.00 0.00 35.03 33.76 3n3t n LYS 675 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3n3t s ILE 676 N -1.20 4.83 -1.74 -0.18 -4.36 -0.90 -1.05 121.20 116.61 3n3t s ILE 676 Ca 0.20 -1.06 0.31 0.00 -0.26 0.00 0.00 60.65 59.83 3n3t s ILE 676 Cb 0.13 -3.55 0.72 0.00 1.25 0.00 0.00 42.46 41.01 3n3t s ILE 676 CO 0.19 -0.22 2.12 -0.81 0.24 0.00 0.00 174.94 176.46 3n3t n PRO 677 N -0.85 0.72 -0.27 0.37 -0.04 -1.26 -4.69 135.00 128.99 3n3t n PRO 677 Ca -0.08 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.44 3n3t n PRO 677 Cb 0.56 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.68 3n3t n PRO 677 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3n3t h ALA 678 N 3.70 0.77 -2.37 0.55 0.00 -1.95 -3.35 119.26 116.62 3n3t h ALA 678 Ca 0.00 0.26 -0.65 0.00 0.00 0.00 0.00 54.91 54.52 3n3t h ALA 678 Cb 0.13 0.47 -0.15 0.00 0.00 0.00 0.00 17.79 18.24 3n3t h ALA 678 CO 0.00 -0.43 -0.00 -1.01 0.00 0.00 0.00 179.25 177.80 3n3t s HIS 679 N -6.13 3.15 0.39 0.00 3.76 -0.22 -4.97 115.29 111.27 3n3t s HIS 679 Ca -0.14 0.10 0.12 0.00 -0.15 0.00 0.00 55.06 54.99 3n3t s HIS 679 Cb 0.23 -3.04 0.80 0.00 1.11 0.00 0.00 32.58 31.68 3n3t s HIS 679 CO 0.76 -0.64 1.89 -1.35 -0.85 0.00 0.00 174.74 174.55 3n3t h PRO 680 N 8.57 0.10 0.61 8.40 0.11 -1.87 -2.51 132.00 145.41 3n3t h PRO 680 Ca -0.27 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 3n3t h PRO 680 Cb 1.12 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.22 3n3t h PRO 680 CO 0.81 0.34 -0.29 1.03 -0.21 0.00 0.00 178.00 179.67 3n3t h SER 681 N 0.09 -0.70 -0.00 -2.05 0.87 -1.93 -1.61 113.55 108.23 3n3t h SER 681 Ca 0.02 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3n3t h SER 681 Cb 0.48 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 3n3t h SER 681 CO 0.03 -0.35 0.00 -0.33 -0.53 0.00 0.00 176.83 175.65 3n3t h GLU 682 N -1.06 0.00 -0.27 2.24 3.07 -1.89 -1.30 114.58 115.37 3n3t h GLU 682 Ca -0.08 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.65 3n3t h GLU 682 Cb 0.68 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.59 3n3t h GLU 682 CO 0.14 0.00 -0.34 1.15 -1.40 0.00 0.00 179.01 178.56 3n3t h THR 683 N 0.00 1.30 -0.65 1.13 2.02 -1.34 -2.03 112.91 113.33 3n3t h THR 683 Ca 0.00 -1.52 -0.05 0.00 0.77 0.00 0.00 66.41 65.61 3n3t h THR 683 Cb 0.00 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 3n3t h THR 683 CO -0.00 0.49 0.22 -0.61 0.37 0.00 0.00 175.52 175.98 3n3t h GLN 684 N 0.45 1.01 -0.26 6.66 5.75 -0.43 -0.16 115.11 128.12 3n3t h GLN 684 Ca 0.03 -0.21 0.04 0.00 -0.15 0.00 0.00 58.65 58.37 3n3t h GLN 684 Cb 0.92 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 29.28 3n3t h GLN 684 CO 0.08 0.87 0.01 0.82 -2.65 0.00 0.00 178.83 177.96 3n3t h ILE 685 N 0.94 0.83 -0.99 2.39 2.04 -1.23 0.67 117.51 122.16 3n3t h ILE 685 Ca 0.21 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 66.06 3n3t h ILE 685 Cb 0.27 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 3n3t h ILE 685 CO -0.01 0.02 0.65 0.58 0.00 0.00 0.00 178.15 179.39 3n3t h VAL 686 N 0.09 1.23 -0.48 1.67 2.07 -0.94 -1.50 116.25 118.40 3n3t h VAL 686 Ca 0.12 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3n3t h VAL 686 Cb 0.15 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.70 3n3t h VAL 686 CO -0.20 0.24 0.20 0.74 0.02 0.00 0.00 177.57 178.57 3n3t h THR 687 N 1.32 1.20 -0.23 2.57 2.02 -0.53 -0.98 112.91 118.29 3n3t h THR 687 Ca 0.37 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3n3t h THR 687 Cb -0.11 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3n3t h THR 687 CO -0.09 0.24 0.15 0.74 0.37 0.00 0.00 175.52 176.92 3n3t h THR 688 N 0.63 1.07 -0.58 3.16 2.02 -0.63 -1.44 112.91 117.15 3n3t h THR 688 Ca 0.16 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 3n3t h THR 688 Cb 0.18 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 3n3t h THR 688 CO -0.01 0.07 0.23 0.40 0.37 0.00 0.00 175.52 176.57 3n3t h ILE 689 N 0.30 1.23 -0.92 3.11 2.04 -1.12 0.50 117.51 122.65 3n3t h ILE 689 Ca 0.08 -0.71 0.04 0.00 1.00 0.00 0.00 64.86 65.28 3n3t h ILE 689 Cb -0.02 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 3n3t h ILE 689 CO -0.02 0.27 0.59 -0.07 0.00 0.00 0.00 178.15 178.93 3n3t h LEU 690 N 0.80 0.97 -0.52 1.44 3.38 -1.01 -1.70 115.31 118.66 3n3t h LEU 690 Ca 0.19 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 3n3t h LEU 690 Cb 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3n3t h LEU 690 CO -0.01 0.65 -0.29 0.00 0.09 0.00 0.00 178.44 178.88 3n3t h ALA 691 N 1.39 0.71 0.24 1.53 0.00 -0.65 -1.42 119.26 121.06 3n3t h ALA 691 Ca 0.38 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3n3t h ALA 691 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3n3t h ALA 691 CO -0.14 0.67 -0.25 1.25 0.00 0.00 0.00 179.25 180.78 3n3t h LEU 692 N 0.75 -0.67 -0.44 0.00 5.85 -0.45 -0.87 115.31 119.48 3n3t h LEU 692 Ca 0.09 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3n3t h LEU 692 Cb 0.85 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 3n3t h LEU 692 CO 0.07 -0.36 0.28 0.00 -0.34 0.00 0.00 178.44 178.09 3n3t h ALA 693 N 0.14 0.56 -0.60 1.25 0.00 -1.32 -1.76 119.26 117.54 3n3t h ALA 693 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3n3t h ALA 693 Cb 0.49 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3n3t h ALA 693 CO -0.06 -0.02 0.32 -0.09 0.00 0.00 0.00 179.25 179.40 3n3t h ARG 694 N 0.57 0.84 -0.78 0.00 2.43 -1.19 0.28 114.38 116.52 3n3t h ARG 694 Ca 0.17 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3n3t h ARG 694 Cb -0.03 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.31 3n3t h ARG 694 CO -0.05 0.65 0.52 0.78 -1.51 0.00 0.00 179.97 180.35 3n3t h GLY 695 N 0.81 1.10 -1.40 2.80 0.00 -0.77 -2.50 103.07 103.11 3n3t h GLY 695 Ca 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3n3t h GLY 695 CO -0.03 0.38 0.00 1.04 0.00 0.00 0.00 176.54 177.93 3n3t n LEU 696 N -4.43 2.41 -2.25 3.11 4.77 -0.70 -5.11 117.00 114.81 3n3t n LEU 696 Ca 0.09 -0.95 -0.01 0.00 -0.03 0.00 0.00 56.01 55.11 3n3t n LEU 696 Cb 0.06 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 3n3t n LEU 696 CO 0.36 0.48 -0.34 0.61 -1.33 0.00 0.00 177.39 177.17 3n3t n GLY 697 N 1.29 -3.92 3.34 -0.72 0.00 0.04 -5.01 105.19 100.20 3n3t n GLY 697 Ca 0.17 0.38 -0.21 0.00 0.00 0.00 0.00 46.02 46.36 3n3t n GLY 697 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n3t s GLU 699 N -0.98 1.29 -0.09 1.61 2.02 -0.27 -4.99 118.70 117.30 3n3t s GLU 699 Ca -0.04 -1.46 0.01 0.00 0.02 0.00 0.00 54.97 53.51 3n3t s GLU 699 Cb 0.00 -1.28 0.02 0.00 0.10 0.00 0.00 34.13 32.97 3n3t s GLU 699 CO 0.50 0.25 -0.11 0.08 0.02 0.00 0.00 175.26 176.00 3n3t s VAL 700 N -2.28 1.14 -0.29 2.63 1.01 -1.26 -0.89 120.40 120.46 3n3t s VAL 700 Ca 0.18 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 3n3t s VAL 700 Cb -0.05 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3n3t s VAL 700 CO 0.07 0.37 0.15 -0.69 0.00 0.00 0.00 175.10 175.00 3n3t s VAL 701 N 1.04 4.80 -0.41 2.92 1.01 -0.03 -1.90 120.40 127.82 3n3t s VAL 701 Ca -0.07 -0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.46 3n3t s VAL 701 Cb -0.15 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.91 3n3t s VAL 701 CO -0.01 0.18 1.08 0.00 0.00 0.00 0.00 175.10 176.36 3n3t s ALA 702 N 1.67 3.30 0.24 5.51 0.00 -0.54 -0.63 121.76 131.31 3n3t s ALA 702 Ca 0.06 -0.35 -0.16 0.00 0.00 0.00 0.00 51.96 51.51 3n3t s ALA 702 Cb -0.16 -3.77 -0.08 0.00 0.00 0.00 0.00 23.12 19.11 3n3t s ALA 702 CO 0.07 -1.92 0.67 -1.21 0.00 0.00 0.00 175.76 173.38 3n3t s GLU 703 N 4.05 4.06 0.00 0.00 2.02 -0.88 -1.19 118.70 126.75 3n3t s GLU 703 Ca 0.45 0.65 0.00 0.00 0.02 0.00 0.00 54.97 56.10 3n3t s GLU 703 Cb -0.09 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.43 3n3t s GLU 703 CO 0.25 0.32 0.00 0.41 0.02 0.00 0.00 175.26 176.25 3n3t n GLY 704 N 0.25 0.48 3.64 -1.39 0.00 0.22 -3.88 105.19 104.51 3n3t n GLY 704 Ca -0.00 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 3n3t n GLY 704 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n3t s ILE 705 N -2.00 3.73 -0.09 -0.61 1.01 -0.89 -4.14 121.20 118.22 3n3t s ILE 705 Ca 0.00 0.84 0.10 0.00 0.00 0.00 0.00 60.65 61.59 3n3t s ILE 705 Cb 0.00 -3.69 -0.15 0.00 0.01 0.00 0.00 42.46 38.63 3n3t s ILE 705 CO 0.00 -0.24 0.25 -0.62 0.00 0.00 0.00 174.94 174.33 3n3t n GLU 706 N 7.47 0.88 -4.13 2.79 1.02 -1.26 -1.40 120.64 126.01 3n3t n GLU 706 Ca 0.18 -0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.13 3n3t n GLU 706 Cb 0.45 -1.19 -0.11 0.00 -0.02 0.00 0.00 31.44 30.57 3n3t n GLU 706 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3n3t s THR 707 N -2.56 0.66 0.26 2.62 -4.23 -1.26 -4.38 115.64 106.75 3n3t s THR 707 Ca -0.02 -1.62 -0.03 0.00 -1.18 0.00 0.00 61.69 58.84 3n3t s THR 707 Cb 0.07 -1.29 0.26 0.00 1.34 0.00 0.00 72.50 72.88 3n3t s THR 707 CO 0.41 -0.68 1.89 0.00 -0.54 0.00 0.00 174.62 175.70 3n3t h ALA 708 N 3.55 1.35 -0.71 3.99 0.00 -1.98 -2.30 119.26 123.15 3n3t h ALA 708 Ca -0.36 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3n3t h ALA 708 Cb 1.18 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3n3t h ALA 708 CO 0.55 0.46 0.29 0.37 0.00 0.00 0.00 179.25 180.92 3n3t h GLN 709 N 1.18 1.06 -0.31 0.00 4.15 -1.97 0.18 115.11 119.41 3n3t h GLN 709 Ca 0.42 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.64 3n3t h GLN 709 Cb 0.12 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3n3t h GLN 709 CO -0.16 0.86 0.11 1.96 -1.93 0.00 0.00 178.83 179.67 3n3t h GLN 710 N 1.03 0.47 -0.53 1.69 4.20 -1.77 -0.29 115.11 119.92 3n3t h GLN 710 Ca 0.24 -0.09 0.04 0.00 0.06 0.00 0.00 58.65 58.90 3n3t h GLN 710 Cb 0.20 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 3n3t h GLN 710 CO -0.02 0.50 0.29 -0.92 -0.67 0.00 0.00 178.83 178.01 3n3t h TYR 711 N 0.35 0.54 -0.24 2.96 3.20 -0.93 -2.05 116.97 120.79 3n3t h TYR 711 Ca 0.10 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 3n3t h TYR 711 Cb 0.21 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3n3t h TYR 711 CO -0.00 0.28 -0.35 0.00 -1.64 0.00 0.00 178.16 176.45 3n3t h ALA 712 N 1.27 0.94 -0.82 1.82 0.00 -0.84 -0.93 119.26 120.70 3n3t h ALA 712 Ca 0.23 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3n3t h ALA 712 Cb 0.10 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3n3t h ALA 712 CO -0.14 0.62 0.53 0.35 0.00 0.00 0.00 179.25 180.61 3n3t h PHE 713 N 0.45 1.00 0.20 0.00 3.57 -0.78 -1.47 116.94 119.91 3n3t h PHE 713 Ca 0.05 0.03 -0.29 0.00 3.53 0.00 0.00 57.97 61.29 3n3t h PHE 713 Cb 0.82 -0.33 0.03 0.00 2.79 0.00 0.00 35.95 39.26 3n3t h PHE 713 CO 0.03 0.59 -1.29 -0.07 -2.23 0.00 0.00 178.31 175.34 3n3t h LEU 714 N 1.05 0.67 -0.20 0.59 3.38 -1.21 -3.11 115.31 116.49 3n3t h LEU 714 Ca 0.32 -0.93 0.05 0.00 0.09 0.00 0.00 57.88 57.41 3n3t h LEU 714 Cb -0.03 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.44 3n3t h LEU 714 CO -0.10 1.61 -0.16 -0.09 0.09 0.00 0.00 178.44 179.80 3n3t h ARG 715 N -0.06 -0.16 0.00 1.13 2.43 -1.13 -1.15 114.38 115.44 3n3t h ARG 715 Ca -0.23 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 3n3t h ARG 715 Cb 1.96 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.55 3n3t h ARG 715 CO 0.21 -0.10 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.07 3n3t h ASP 716 N -0.16 0.00 -0.63 -3.80 3.32 -1.35 -2.21 116.42 111.59 3n3t h ASP 716 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3n3t h ASP 716 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3n3t h ASP 716 CO -0.30 0.06 0.00 0.54 -1.72 0.00 0.00 179.24 177.82 3n3t n ARG 717 N -3.36 3.65 -1.00 3.56 1.74 -0.96 -4.94 116.66 115.36 3n3t n ARG 717 Ca -0.02 -2.77 -0.00 0.00 -0.77 0.00 0.00 57.85 54.30 3n3t n ARG 717 Cb 0.21 -1.88 -0.00 0.00 -1.02 0.00 0.00 32.46 29.77 3n3t n ARG 717 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3n3t n GLY 718 N 1.13 0.49 3.67 -0.13 0.00 -0.83 -5.01 105.19 104.50 3n3t n GLY 718 Ca 0.25 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3n3t n GLY 718 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3t h GLU 720 N 9.02 0.40 -6.09 0.00 5.08 -1.88 -3.40 114.58 117.72 3n3t h GLU 720 Ca -0.41 -0.46 -0.55 0.00 -1.00 0.00 0.00 59.36 56.94 3n3t h GLU 720 Cb 1.19 0.14 -0.20 0.00 0.50 0.00 0.00 28.75 30.38 3n3t h GLU 720 CO 0.94 1.13 -0.80 -0.06 -1.00 0.00 0.00 179.01 179.22 3n3t s PHE 721 N -3.08 1.84 0.12 4.33 0.08 -0.80 -0.83 117.98 119.66 3n3t s PHE 721 Ca -0.13 -0.44 -0.03 0.00 0.12 0.00 0.00 56.93 56.45 3n3t s PHE 721 Cb 0.03 -0.96 -0.03 0.00 -0.57 0.00 0.00 43.02 41.49 3n3t s PHE 721 CO 0.83 0.29 0.09 0.20 -0.10 0.00 0.00 175.22 176.53 3n3t s GLY 722 N -2.34 0.78 -0.21 4.36 0.00 0.70 -1.46 107.32 109.16 3n3t s GLY 722 Ca 0.12 -1.29 -0.12 0.00 0.00 0.00 0.00 44.72 43.43 3n3t s GLY 722 CO 0.06 -1.23 0.50 1.62 0.00 0.00 0.00 173.10 174.05 3n3t s GLN 723 N -4.01 0.50 0.00 2.90 0.74 -0.33 -0.05 119.66 119.41 3n3t s GLN 723 Ca 0.20 0.92 0.00 0.00 0.05 0.00 0.00 55.36 56.53 3n3t s GLN 723 Cb 0.07 0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.22 3n3t s GLN 723 CO -0.01 -0.15 0.00 0.41 -0.55 0.00 0.00 175.29 174.99 3n3t n GLY 724 N 4.19 1.78 0.46 2.59 0.00 -1.26 -0.61 105.19 112.34 3n3t n GLY 724 Ca -0.22 -1.04 0.28 0.00 0.00 0.00 0.00 46.02 45.04 3n3t n GLY 724 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3n3t h ASN 725 N 0.00 0.00 0.00 1.61 2.35 -1.84 -2.16 115.58 115.54 3n3t h ASN 725 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3n3t h ASN 725 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3n3t h ASN 725 CO 0.00 0.00 0.00 -0.11 -1.65 0.00 0.00 177.43 175.67 3n3t n LEU 726 N -4.17 0.00 -4.73 1.61 7.94 -0.49 -4.41 117.00 112.74 3n3t n LEU 726 Ca 0.18 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.71 3n3t n LEU 726 Cb 0.95 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.83 3n3t n LEU 726 CO 0.37 0.00 0.05 -0.55 -1.11 0.00 0.00 177.39 176.15 3n3t s SER 728 N -1.77 6.53 0.80 1.96 0.15 -0.81 -5.06 113.70 115.49 3n3t s SER 728 Ca 0.00 0.63 -0.12 0.00 0.70 0.00 0.00 55.95 57.16 3n3t s SER 728 Cb 0.00 -2.22 0.07 0.00 -1.71 0.00 0.00 66.02 62.16 3n3t s SER 728 CO 0.00 0.08 1.11 0.42 1.20 0.00 0.00 173.24 176.05 3n3t s THR 729 N 0.46 2.89 0.31 6.45 -4.23 -1.26 -4.41 115.64 115.85 3n3t s THR 729 Ca 0.20 0.29 -0.28 0.00 -1.18 0.00 0.00 61.69 60.72 3n3t s THR 729 Cb -0.14 -3.11 -0.13 0.00 1.34 0.00 0.00 72.50 70.46 3n3t s THR 729 CO 0.06 -0.38 1.17 -2.65 -0.54 0.00 0.00 174.62 172.28 3n3t n PRO 730 N -3.39 1.75 -4.72 3.99 -0.02 -1.26 -4.71 135.00 126.65 3n3t n PRO 730 Ca 0.07 0.61 -0.25 0.00 -2.02 0.00 0.00 63.50 61.91 3n3t n PRO 730 Cb 0.57 -2.10 -0.15 0.00 -0.02 0.00 0.00 33.50 31.81 3n3t n PRO 730 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3n3t s GLN 731 N -1.63 1.39 0.75 -0.52 -1.52 -0.16 -4.83 119.66 113.14 3n3t s GLN 731 Ca 0.58 -0.81 -0.15 0.00 -1.95 0.00 0.00 55.36 53.03 3n3t s GLN 731 Cb -0.64 -1.43 0.05 0.00 -0.22 0.00 0.00 33.01 30.77 3n3t s GLN 731 CO 0.60 0.38 1.22 0.00 -0.25 0.00 0.00 175.29 177.24 3n3t s ALA 732 N -0.66 2.05 0.25 6.09 0.00 -1.26 -0.13 121.76 128.10 3n3t s ALA 732 Ca 0.07 0.93 -0.06 0.00 0.00 0.00 0.00 51.96 52.89 3n3t s ALA 732 Cb -0.08 -3.50 0.46 0.00 0.00 0.00 0.00 23.12 20.00 3n3t s ALA 732 CO 0.01 -2.00 1.63 0.00 0.00 0.00 0.00 175.76 175.40 3n3t h ALA 733 N -0.39 0.81 -0.42 0.00 0.00 -1.96 0.21 119.26 117.50 3n3t h ALA 733 Ca -0.48 0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3n3t h ALA 733 Cb 1.30 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 3n3t h ALA 733 CO 0.49 -0.43 0.06 -0.44 0.00 0.00 0.00 179.25 178.93 3n3t h ASP 734 N 0.10 0.68 -0.71 0.00 5.19 -1.97 0.22 116.42 119.94 3n3t h ASP 734 Ca 0.42 -0.27 -0.06 0.00 -0.62 0.00 0.00 57.03 56.50 3n3t h ASP 734 Cb 0.75 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 40.05 3n3t h ASP 734 CO -0.68 0.78 0.21 0.00 -3.12 0.00 0.00 179.24 176.44 3n3t h ALA 735 N 0.93 1.02 0.11 3.45 0.00 -1.68 0.39 119.26 123.48 3n3t h ALA 735 Ca 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3n3t h ALA 735 Cb 0.40 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3n3t h ALA 735 CO 0.01 0.66 -0.05 0.35 0.00 0.00 0.00 179.25 180.21 3n3t h PHE 736 N 1.07 -0.14 -0.76 0.00 3.57 -0.79 -2.56 116.94 117.33 3n3t h PHE 736 Ca 0.23 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.88 3n3t h PHE 736 Cb 0.32 0.05 -0.10 0.00 2.79 0.00 0.00 35.95 39.00 3n3t h PHE 736 CO 0.03 0.00 0.28 0.00 -2.23 0.00 0.00 178.31 176.39 3n3t h ALA 737 N 0.62 1.06 -0.32 2.41 0.00 -0.22 0.62 119.26 123.43 3n3t h ALA 737 Ca -0.02 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3n3t h ALA 737 Cb 0.21 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3n3t h ALA 737 CO 0.03 -0.24 0.10 0.77 0.00 0.00 0.00 179.25 179.90 3n3t h SER 738 N 0.41 0.41 -0.48 0.00 0.02 -0.83 -1.21 113.55 111.88 3n3t h SER 738 Ca 0.42 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 3n3t h SER 738 Cb 0.67 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 3n3t h SER 738 CO -0.43 0.41 0.26 -0.07 -1.14 0.00 0.00 176.83 175.85 3n3t h LEU 739 N 0.46 0.60 -1.08 5.07 3.38 -0.48 -0.95 115.31 122.31 3n3t h LEU 739 Ca 0.11 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3n3t h LEU 739 Cb 0.14 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3n3t h LEU 739 CO -0.01 0.52 0.22 -0.07 0.09 0.00 0.00 178.44 179.20 3n3t h LEU 740 N 0.63 0.80 -0.33 1.67 3.38 -0.80 -2.39 115.31 118.27 3n3t h LEU 740 Ca 0.17 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3n3t h LEU 740 Cb 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3n3t h LEU 740 CO -0.03 0.73 0.05 0.44 0.09 0.00 0.00 178.44 179.73 3n3t h ASP 741 N 0.86 0.52 -0.45 -0.43 3.32 -0.82 -1.49 116.42 117.94 3n3t h ASP 741 Ca 0.20 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3n3t h ASP 741 Cb 0.20 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3n3t h ASP 741 CO -0.02 0.65 0.17 -0.09 -1.72 0.00 0.00 179.24 178.24 3n3t h ARG 742 N 0.37 0.73 0.04 3.56 2.43 -0.98 -1.97 114.38 118.56 3n3t h ARG 742 Ca 0.10 -0.12 -0.24 0.00 -0.81 0.00 0.00 59.98 58.91 3n3t h ARG 742 Cb 0.35 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3n3t h ARG 742 CO 0.01 0.62 -1.16 -0.56 -1.51 0.00 0.00 179.97 177.37 3n3t h GLN 743 N 0.72 0.08 -0.53 0.20 3.07 -1.34 -3.25 115.11 114.05 3n3t h GLN 743 Ca 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 58.65 58.76 3n3t h GLN 743 Cb 0.19 0.05 -0.03 0.00 0.08 0.00 0.00 27.48 27.77 3n3t h GLN 743 CO -0.01 1.01 0.25 -0.22 0.09 0.00 0.00 178.83 179.95 3n3t h LYS 744 N 0.02 0.75 0.00 0.06 3.64 -1.04 -0.62 116.57 119.37 3n3t h LYS 744 Ca -0.08 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3n3t h LYS 744 Cb 1.86 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 3n3t h LYS 744 CO 0.14 0.59 0.00 0.00 -2.27 0.00 0.00 179.45 177.91 3n3t n ALA 745 N -2.46 2.48 0.00 5.00 0.00 -0.76 -5.10 120.51 119.67 3n3t n ALA 745 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3n3t n ALA 745 Cb 0.13 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3n3t n ALA 745 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37