#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k49 h PRO 516 N 0.00 0.26 -0.64 1.43 0.11 -2.05 -2.03 132.00 129.07 3k49 h PRO 516 Ca 0.00 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.11 3k49 h PRO 516 Cb 0.00 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.01 3k49 h PRO 516 CO 0.00 0.17 0.41 -0.07 -0.21 0.00 0.00 178.00 178.30 3k49 h LEU 517 N 0.26 0.68 -1.34 2.35 3.38 -1.99 0.24 115.31 118.90 3k49 h LEU 517 Ca 0.30 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 3k49 h LEU 517 Cb 0.44 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3k49 h LEU 517 CO -0.38 0.48 0.30 -0.07 0.09 0.00 0.00 178.44 178.87 3k49 h LEU 518 N 0.82 0.67 -0.29 1.67 3.38 -1.82 -1.29 115.31 118.43 3k49 h LEU 518 Ca 0.25 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.98 3k49 h LEU 518 Cb -0.02 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3k49 h LEU 518 CO -0.08 0.54 -0.70 -0.33 0.09 0.00 0.00 178.44 177.96 3k49 h GLU 519 N 0.76 0.69 0.00 1.13 5.08 -0.84 -2.45 114.58 118.95 3k49 h GLU 519 Ca 0.20 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3k49 h GLU 519 Cb 0.01 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3k49 h GLU 519 CO -0.03 1.14 0.00 0.37 -1.00 0.00 0.00 179.01 179.49 3k49 h GLN 520 N 0.49 0.00 0.00 2.33 4.15 0.01 -2.32 115.11 119.78 3k49 h GLN 520 Ca -0.03 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 3k49 h GLN 520 Cb 1.30 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.98 3k49 h GLN 520 CO 0.14 0.00 -0.50 1.25 -1.93 0.00 0.00 178.83 177.79 3k49 h LEU 521 N 0.00 0.00 -0.01 -2.39 5.85 -0.90 -3.38 115.31 114.48 3k49 h LEU 521 Ca 0.00 -0.52 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 3k49 h LEU 521 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3k49 h LEU 521 CO 0.00 1.04 -0.03 0.08 -0.34 0.00 0.00 178.44 179.19 3k49 h ARG 522 N -1.00 0.05 -0.83 1.25 0.11 -1.34 -2.28 114.38 110.34 3k49 h ARG 522 Ca -0.12 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.93 3k49 h ARG 522 Cb 0.86 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.95 3k49 h ARG 522 CO -0.07 0.64 0.00 0.09 0.10 0.00 0.00 179.97 180.73 3k49 n ASN 523 N -4.75 0.98 0.00 0.08 3.02 -0.88 -2.76 115.26 110.94 3k49 n ASN 523 Ca -0.09 -1.48 0.00 0.00 -0.03 0.00 0.00 54.58 52.98 3k49 n ASN 523 Cb 0.32 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 3k49 n ASN 523 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3k49 n SER 524 N 0.21 1.20 -4.56 6.41 2.88 -1.18 -5.02 113.62 113.57 3k49 n SER 524 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 3k49 n SER 524 Cb 0.22 0.11 -0.05 0.00 -0.75 0.00 0.00 64.21 63.74 3k49 n SER 524 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3k49 s SER 525 N -1.67 4.97 -0.35 -3.46 0.01 -0.87 -5.03 113.70 107.30 3k49 s SER 525 Ca 0.00 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.03 3k49 s SER 525 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3k49 s SER 525 CO 0.00 -2.81 0.00 -1.20 0.41 0.00 0.00 173.24 169.64 3k49 n SER 532 N 14.41 -1.46 -4.67 2.44 7.64 -1.26 -5.13 113.62 125.60 3k49 n SER 532 Ca 0.36 0.08 -0.29 0.00 1.01 0.00 0.00 58.87 60.03 3k49 n SER 532 Cb 0.48 -1.48 0.13 0.00 -1.01 0.00 0.00 64.21 62.32 3k49 n SER 532 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3k49 s ASN 533 N -1.09 3.87 0.76 6.43 2.47 -1.26 -5.08 114.94 121.04 3k49 s ASN 533 Ca 0.00 0.70 -0.10 0.00 0.42 0.00 0.00 52.86 53.88 3k49 s ASN 533 Cb 0.00 -1.10 0.07 0.00 -1.45 0.00 0.00 41.25 38.77 3k49 s ASN 533 CO 0.00 -2.30 1.10 -0.04 -3.72 0.00 0.00 177.10 172.15 3k49 s MET 534 N -5.58 2.13 0.27 0.43 -1.94 -1.26 -5.11 119.30 108.23 3k49 s MET 534 Ca 0.65 -0.01 0.03 0.00 -1.71 0.00 0.00 55.69 54.65 3k49 s MET 534 Cb -0.10 -2.05 -0.04 0.00 2.01 0.00 0.00 34.83 34.65 3k49 s MET 534 CO 0.51 -1.40 0.20 -1.54 -0.01 0.00 0.00 175.02 172.78 3k49 s SER 535 N -4.53 0.94 0.57 3.03 1.04 -1.26 -5.04 113.70 108.44 3k49 s SER 535 Ca 0.61 -1.57 0.28 0.00 0.48 0.00 0.00 55.95 55.75 3k49 s SER 535 Cb -0.11 0.46 1.49 0.00 0.10 0.00 0.00 66.02 67.96 3k49 s SER 535 CO 0.47 -0.94 1.97 -0.07 0.98 0.00 0.00 173.24 175.65 3k49 h LEU 536 N 2.37 0.00 -0.64 2.42 3.38 -1.97 0.13 115.31 121.01 3k49 h LEU 536 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3k49 h LEU 536 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3k49 h LEU 536 CO 0.45 0.00 0.00 0.07 0.09 0.00 0.00 178.44 179.05 3k49 h LYS 537 N 0.00 0.00 0.00 1.13 2.10 -1.96 -2.96 116.57 114.88 3k49 h LYS 537 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 3k49 h LYS 537 Cb 1.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 3k49 h LYS 537 CO -0.00 0.00 -0.00 -0.44 -2.00 0.00 0.00 179.45 177.01 3k49 h ASP 538 N 0.00 0.00 -0.23 7.07 3.32 -1.37 -3.34 116.42 121.87 3k49 h ASP 538 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k49 h ASP 538 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3k49 h ASP 538 CO 0.00 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.82 3k49 n ILE 539 N -2.36 1.62 0.27 0.35 -5.35 -1.12 -4.71 119.36 108.07 3k49 n ILE 539 Ca 0.05 -1.50 0.15 0.00 -0.27 0.00 0.00 62.75 61.19 3k49 n ILE 539 Cb 0.44 0.11 0.73 0.00 -1.74 0.00 0.00 39.64 39.18 3k49 n ILE 539 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 3k49 h PHE 540 N 1.45 0.00 -0.36 4.28 3.57 -1.69 0.30 116.94 124.49 3k49 h PHE 540 Ca 0.00 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.35 3k49 h PHE 540 Cb 1.02 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 3k49 h PHE 540 CO 0.28 0.00 -0.36 0.78 -2.23 0.00 0.00 178.31 176.78 3k49 h GLY 541 N 0.00 0.95 -4.79 2.40 0.00 -1.92 -3.42 103.07 96.29 3k49 h GLY 541 Ca 0.05 -0.98 -0.42 0.00 0.00 0.00 0.00 47.33 45.98 3k49 h GLY 541 CO -0.00 0.88 -1.01 1.42 0.00 0.00 0.00 176.54 177.84 3k49 n HIS 542 N -4.12 1.99 0.06 5.60 8.25 0.11 -4.89 115.22 122.22 3k49 n HIS 542 Ca -0.03 -2.66 -0.13 0.00 -0.26 0.00 0.00 57.72 54.64 3k49 n HIS 542 Cb 0.53 -0.26 -0.09 0.00 1.12 0.00 0.00 29.99 31.28 3k49 n HIS 542 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3k49 h SER 543 N 2.69 -0.14 -1.00 0.41 0.02 -1.81 -1.41 113.55 112.31 3k49 h SER 543 Ca 0.06 -0.32 0.12 0.00 -0.84 0.00 0.00 61.79 60.81 3k49 h SER 543 Cb 1.18 0.04 -0.09 0.00 0.14 0.00 0.00 62.40 63.67 3k49 h SER 543 CO 0.56 0.27 0.63 0.25 -1.14 0.00 0.00 176.83 177.40 3k49 h LEU 544 N -0.57 0.92 -0.54 5.07 5.85 -1.92 0.25 115.31 124.38 3k49 h LEU 544 Ca -0.02 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3k49 h LEU 544 Cb 0.45 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3k49 h LEU 544 CO 0.03 0.49 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.45 3k49 h GLU 545 N 0.99 0.00 0.05 1.25 4.81 -1.94 -2.06 114.58 117.68 3k49 h GLU 545 Ca 0.50 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.49 3k49 h GLU 545 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3k49 h GLU 545 CO -0.27 0.08 -1.05 0.74 -0.73 0.00 0.00 179.01 177.78 3k49 h PHE 546 N 0.00 0.58 -0.10 0.92 -1.00 0.43 -3.29 116.94 114.49 3k49 h PHE 546 Ca -0.00 -0.35 -0.13 0.00 2.81 0.00 0.00 57.97 60.30 3k49 h PHE 546 Cb 0.88 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 40.38 3k49 h PHE 546 CO 0.00 1.20 -0.51 0.00 -1.61 0.00 0.00 178.31 177.39 3k49 n LYS 548 N -3.95 1.39 -4.50 0.00 5.02 -0.80 -2.35 118.16 112.99 3k49 n LYS 548 Ca -0.02 -0.58 -0.34 0.00 -2.02 0.00 0.00 58.31 55.35 3k49 n LYS 548 Cb 0.55 -1.43 -0.11 0.00 -0.02 0.00 0.00 35.03 34.02 3k49 n LYS 548 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3k49 s ASP 549 N -1.82 4.89 0.11 4.39 2.15 -1.13 -4.78 116.67 120.48 3k49 s ASP 549 Ca 0.37 0.02 -0.25 0.00 0.43 0.00 0.00 52.55 53.13 3k49 s ASP 549 Cb 0.19 -1.39 -0.09 0.00 -0.30 0.00 0.00 42.92 41.33 3k49 s ASP 549 CO 0.30 0.33 1.68 -0.61 -0.17 0.00 0.00 175.17 176.71 3k49 h GLN 550 N 5.47 -0.26 -0.07 4.34 4.15 -1.86 0.14 115.11 127.01 3k49 h GLN 550 Ca -0.46 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 58.94 3k49 h GLN 550 Cb 1.18 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.93 3k49 h GLN 550 CO 0.55 -0.17 -0.07 0.45 -1.93 0.00 0.00 178.83 177.65 3k49 h HIS 551 N -0.27 0.21 -0.80 3.99 3.86 -1.96 -1.86 115.15 118.32 3k49 h HIS 551 Ca 0.03 -0.06 0.17 0.00 -1.16 0.00 0.00 60.37 59.35 3k49 h HIS 551 Cb 0.30 -0.04 -0.11 0.00 1.06 0.00 0.00 27.41 28.62 3k49 h HIS 551 CO -0.17 0.62 0.29 0.78 0.86 0.00 0.00 177.93 180.31 3k49 h GLY 552 N -0.25 1.24 0.85 2.45 0.00 -1.70 -1.61 103.07 104.05 3k49 h GLY 552 Ca 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 3k49 h GLY 552 CO 0.02 -0.19 -0.04 0.23 0.00 0.00 0.00 176.54 176.56 3k49 h SER 553 N 0.38 -0.10 -0.62 0.19 0.87 0.65 -1.12 113.55 113.80 3k49 h SER 553 Ca 0.47 -0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.95 3k49 h SER 553 Cb 0.80 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.75 3k49 h SER 553 CO -0.48 0.07 0.41 0.03 -0.53 0.00 0.00 176.83 176.33 3k49 h ARG 554 N -0.27 0.61 0.32 2.24 3.08 -1.08 -0.09 114.38 119.20 3k49 h ARG 554 Ca -0.01 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3k49 h ARG 554 Cb 0.23 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3k49 h ARG 554 CO 0.02 0.41 -0.15 0.35 -1.07 0.00 0.00 179.97 179.52 3k49 h PHE 555 N 0.63 -0.40 -0.54 3.04 3.57 -0.92 -2.23 116.94 120.09 3k49 h PHE 555 Ca 0.26 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 3k49 h PHE 555 Cb 0.23 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3k49 h PHE 555 CO -0.00 -0.24 0.13 0.82 -2.23 0.00 0.00 178.31 176.79 3k49 h ILE 556 N -0.45 1.23 -0.76 1.41 2.04 -0.23 -1.40 117.51 119.35 3k49 h ILE 556 Ca -0.04 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.03 3k49 h ILE 556 Cb 0.34 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 3k49 h ILE 556 CO 0.07 0.30 0.48 1.56 0.00 0.00 0.00 178.15 180.57 3k49 h GLN 557 N 0.80 0.92 -0.15 2.37 4.20 -0.96 -0.59 115.11 121.71 3k49 h GLN 557 Ca 0.18 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 3k49 h GLN 557 Cb 0.30 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 3k49 h GLN 557 CO -0.00 0.61 -0.17 -0.09 -0.67 0.00 0.00 178.83 178.51 3k49 h ARG 558 N 0.95 0.37 -0.35 1.46 2.43 -0.76 -3.07 114.38 115.41 3k49 h ARG 558 Ca 0.30 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3k49 h ARG 558 Cb 0.00 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3k49 h ARG 558 CO -0.11 0.77 0.06 0.93 -1.51 0.00 0.00 179.97 180.12 3k49 h GLU 559 N -0.01 0.51 0.00 0.20 4.39 -1.08 -3.02 114.58 115.58 3k49 h GLU 559 Ca 0.02 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 3k49 h GLU 559 Cb 0.72 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3k49 h GLU 559 CO 0.04 0.49 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.17 3k49 h LEU 560 N 0.50 0.00 -0.43 1.33 3.38 -1.01 0.43 115.31 119.52 3k49 h LEU 560 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3k49 h LEU 560 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3k49 h LEU 560 CO -0.00 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.67 3k49 h ALA 561 N 1.86 1.00 0.00 1.53 0.00 -1.48 -3.37 119.26 118.80 3k49 h ALA 561 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k49 h ALA 561 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3k49 h ALA 561 CO 0.02 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.52 3k49 n THR 562 N -2.94 0.00 -2.76 0.00 -2.24 -0.93 -5.08 114.28 100.33 3k49 n THR 562 Ca 0.03 -0.24 -0.36 0.00 -2.27 0.00 0.00 64.05 61.21 3k49 n THR 562 Cb 0.44 1.39 -0.06 0.00 -2.10 0.00 0.00 70.33 70.00 3k49 n THR 562 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3k49 s SER 563 N -0.12 7.19 0.89 3.42 0.01 0.10 -5.05 113.70 120.14 3k49 s SER 563 Ca 0.00 1.83 -0.11 0.00 1.31 0.00 0.00 55.95 58.98 3k49 s SER 563 Cb 0.00 -2.57 0.12 0.00 0.21 0.00 0.00 66.02 63.78 3k49 s SER 563 CO 0.00 -0.17 1.11 -2.16 0.41 0.00 0.00 173.24 172.42 3k49 s PRO 564 N -2.33 1.31 0.32 12.44 0.04 -1.26 -4.76 135.00 140.75 3k49 s PRO 564 Ca 0.53 1.22 0.09 0.00 0.04 0.00 0.00 61.00 62.88 3k49 s PRO 564 Cb -0.17 -1.78 0.88 0.00 0.04 0.00 0.00 34.50 33.47 3k49 s PRO 564 CO 0.22 -2.32 1.72 0.00 0.04 0.00 0.00 177.00 176.66 3k49 h ALA 565 N -1.63 1.76 -0.65 8.56 0.00 -1.99 -2.13 119.26 123.18 3k49 h ALA 565 Ca -0.46 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3k49 h ALA 565 Cb 1.26 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3k49 h ALA 565 CO 0.48 -0.30 0.35 0.77 0.00 0.00 0.00 179.25 180.56 3k49 h SER 566 N 0.54 0.81 -0.10 0.00 0.02 -2.00 0.30 113.55 113.14 3k49 h SER 566 Ca 0.64 -0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 61.34 3k49 h SER 566 Cb 1.24 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 3k49 h SER 566 CO -0.49 0.68 -0.47 -0.33 -1.14 0.00 0.00 176.83 175.08 3k49 h GLU 567 N 0.89 0.65 -0.52 3.45 5.08 -1.75 -2.51 114.58 119.88 3k49 h GLU 567 Ca 0.23 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3k49 h GLU 567 Cb 0.05 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3k49 h GLU 567 CO -0.04 0.98 0.17 0.87 -1.00 0.00 0.00 179.01 179.99 3k49 h LYS 568 N 0.52 0.81 -0.68 2.33 1.57 -1.12 -2.70 116.57 117.30 3k49 h LYS 568 Ca 0.03 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3k49 h LYS 568 Cb 1.01 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.15 3k49 h LYS 568 CO 0.09 0.74 0.40 0.93 -0.57 0.00 0.00 179.45 181.04 3k49 h GLU 569 N 0.71 0.73 -0.50 3.15 5.08 -0.85 -0.67 114.58 122.23 3k49 h GLU 569 Ca 0.17 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3k49 h GLU 569 Cb 0.27 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3k49 h GLU 569 CO -0.01 0.48 0.15 0.28 -1.00 0.00 0.00 179.01 178.91 3k49 h VAL 570 N 0.75 1.23 -0.17 3.13 2.07 -1.24 0.52 116.25 122.54 3k49 h VAL 570 Ca 0.29 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3k49 h VAL 570 Cb 0.13 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3k49 h VAL 570 CO -0.15 0.29 0.06 0.40 0.02 0.00 0.00 177.57 178.19 3k49 h ILE 571 N 0.67 1.16 -0.16 4.57 1.08 -1.26 -2.98 117.51 120.60 3k49 h ILE 571 Ca 0.16 -0.49 -0.00 0.00 -0.39 0.00 0.00 64.86 64.14 3k49 h ILE 571 Cb 0.29 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 3k49 h ILE 571 CO -0.00 0.15 0.09 0.15 -0.69 0.00 0.00 178.15 177.85 3k49 h PHE 572 N 0.11 0.21 0.00 1.37 3.04 -0.82 -1.95 116.94 118.91 3k49 h PHE 572 Ca 0.06 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.00 3k49 h PHE 572 Cb 0.18 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.62 3k49 h PHE 572 CO -0.01 0.21 0.00 -0.91 -2.02 0.00 0.00 178.31 175.58 3k49 h ASN 573 N 0.15 0.00 0.20 0.41 2.35 -0.96 -0.44 115.58 117.30 3k49 h ASN 573 Ca 0.05 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.47 3k49 h ASN 573 Cb 0.07 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.46 3k49 h ASN 573 CO -0.01 0.00 -1.61 -0.08 -1.65 0.00 0.00 177.43 174.08 3k49 h GLU 574 N 0.00 0.43 -0.28 0.81 4.81 -1.27 -3.38 114.58 115.70 3k49 h GLU 574 Ca 0.00 -0.74 0.00 0.00 -0.13 0.00 0.00 59.36 58.49 3k49 h GLU 574 Cb 0.28 0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3k49 h GLU 574 CO 0.00 1.35 0.00 0.44 -0.73 0.00 0.00 179.01 180.07 3k49 n ILE 575 N -3.68 0.43 -0.19 2.32 -5.35 -0.78 -4.60 119.36 107.51 3k49 n ILE 575 Ca -0.22 -0.72 -0.09 0.00 -0.27 0.00 0.00 62.75 61.46 3k49 n ILE 575 Cb 1.06 1.01 0.04 0.00 -1.74 0.00 0.00 39.64 40.02 3k49 n ILE 575 CO 0.00 0.00 0.00 0.08 -1.76 0.00 0.00 176.55 174.87 3k49 h ARG 576 N 3.73 1.03 0.00 6.28 0.11 -1.29 -1.74 114.38 122.50 3k49 h ARG 576 Ca 0.00 -0.33 0.00 0.00 0.10 0.00 0.00 59.98 59.75 3k49 h ARG 576 Cb 0.86 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.85 3k49 h ARG 576 CO 0.00 1.02 0.00 -0.44 0.10 0.00 0.00 179.97 180.65 3k49 h ASP 577 N 0.94 0.00 -0.48 0.08 3.45 -1.85 -2.04 116.42 116.51 3k49 h ASP 577 Ca 0.16 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.45 3k49 h ASP 577 Cb 0.58 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 39.25 3k49 h ASP 577 CO 0.03 0.00 0.11 0.47 -1.57 0.00 0.00 179.24 178.28 3k49 n ASP 578 N -2.92 3.61 -0.07 6.45 9.92 -0.67 -4.71 116.55 128.16 3k49 n ASP 578 Ca -0.01 -3.40 -0.11 0.00 -0.53 0.00 0.00 54.79 50.74 3k49 n ASP 578 Cb 0.16 -0.66 -0.05 0.00 -0.64 0.00 0.00 41.12 39.94 3k49 n ASP 578 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3k49 h ALA 579 N 1.65 0.29 -0.18 2.24 0.00 -1.24 -0.79 119.26 121.23 3k49 h ALA 579 Ca 0.21 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3k49 h ALA 579 Cb 1.89 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.54 3k49 h ALA 579 CO 0.50 0.01 -0.15 0.82 0.00 0.00 0.00 179.25 180.42 3k49 h ILE 580 N 0.15 0.57 -0.31 0.00 1.08 -1.84 0.27 117.51 117.43 3k49 h ILE 580 Ca 0.06 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.55 3k49 h ILE 580 Cb 0.39 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 3k49 h ILE 580 CO 0.01 0.00 0.15 -0.08 -0.69 0.00 0.00 178.15 177.54 3k49 h GLU 581 N -0.17 0.30 -0.65 2.37 4.81 -1.88 -1.87 114.58 117.50 3k49 h GLU 581 Ca 0.11 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3k49 h GLU 581 Cb 0.33 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3k49 h GLU 581 CO -0.28 0.20 0.37 -0.07 -0.73 0.00 0.00 179.01 178.50 3k49 h LEU 582 N 0.31 0.79 -1.89 1.64 3.38 -0.88 -1.34 115.31 117.33 3k49 h LEU 582 Ca 0.13 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3k49 h LEU 582 Cb 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3k49 h LEU 582 CO -0.09 0.63 0.11 0.28 0.09 0.00 0.00 178.44 179.46 3k49 h SER 583 N 0.90 0.13 0.85 -0.43 0.02 0.32 -1.03 113.55 114.31 3k49 h SER 583 Ca 0.23 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3k49 h SER 583 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3k49 h SER 583 CO -0.04 0.09 -0.45 0.59 -1.14 0.00 0.00 176.83 175.88 3k49 n ASN 584 N -4.51 0.58 -4.79 3.07 3.02 -0.57 -1.45 115.26 110.61 3k49 n ASN 584 Ca -0.00 0.12 -0.37 0.00 -0.03 0.00 0.00 54.58 54.29 3k49 n ASN 584 Cb 0.13 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.24 3k49 n ASN 584 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3k49 s ASP 585 N -3.80 7.28 0.45 6.41 2.15 -0.43 -4.62 116.67 124.12 3k49 s ASP 585 Ca 0.09 1.67 0.12 0.00 0.43 0.00 0.00 52.55 54.85 3k49 s ASP 585 Cb 0.15 -2.51 1.03 0.00 -0.30 0.00 0.00 42.92 41.29 3k49 s ASP 585 CO 0.68 0.04 2.06 1.62 -0.17 0.00 0.00 175.17 179.40 3k49 h VAL 586 N 2.84 1.01 0.00 1.11 3.04 -1.91 -2.31 116.25 120.03 3k49 h VAL 586 Ca -0.47 -0.12 -0.18 0.00 -1.01 0.00 0.00 66.70 64.92 3k49 h VAL 586 Cb 1.20 0.63 -0.03 0.00 -2.01 0.00 0.00 31.29 31.07 3k49 h VAL 586 CO 0.65 0.06 -1.79 0.49 -1.01 0.00 0.00 177.57 175.98 3k49 n PHE 587 N -4.49 0.00 0.42 3.17 0.99 -1.26 -4.58 117.46 111.71 3k49 n PHE 587 Ca 0.03 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.62 3k49 n PHE 587 Cb 0.17 -0.55 0.42 0.00 -1.00 0.00 0.00 39.48 38.53 3k49 n PHE 587 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 3k49 h GLY 588 N 2.40 0.00 2.00 1.37 0.00 -1.41 -3.26 103.07 104.17 3k49 h GLY 588 Ca -0.27 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 3k49 h GLY 588 CO 0.01 0.00 -0.36 3.45 0.00 0.00 0.00 176.54 179.65 3k49 h ASN 589 N 0.00 0.00 0.14 0.19 7.08 -1.03 -2.27 115.58 119.69 3k49 h ASN 589 Ca 0.00 0.00 -0.10 0.00 -3.08 0.00 0.00 56.30 53.12 3k49 h ASN 589 Cb 0.66 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.89 3k49 h ASN 589 CO 0.00 0.36 -0.35 1.88 -2.08 0.00 0.00 177.43 177.24 3k49 h TYR 590 N 0.00 0.35 -0.28 4.14 -1.99 -1.86 -2.11 116.97 115.22 3k49 h TYR 590 Ca -0.00 -0.08 -0.17 0.00 2.00 0.00 0.00 58.73 60.48 3k49 h TYR 590 Cb 0.74 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 39.39 3k49 h TYR 590 CO 0.00 0.62 -0.49 0.28 -0.00 0.00 0.00 178.16 178.57 3k49 h VAL 591 N 0.26 1.29 -0.58 -2.88 2.07 -1.61 -1.39 116.25 113.42 3k49 h VAL 591 Ca 0.03 -1.69 -0.07 0.00 0.82 0.00 0.00 66.70 65.80 3k49 h VAL 591 Cb 0.74 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3k49 h VAL 591 CO 0.06 0.55 0.10 0.40 0.02 0.00 0.00 177.57 178.69 3k49 h ILE 592 N 0.61 1.26 -0.90 4.57 1.08 -1.35 -2.49 117.51 120.28 3k49 h ILE 592 Ca 0.03 -0.97 0.08 0.00 -0.39 0.00 0.00 64.86 63.61 3k49 h ILE 592 Cb 1.07 0.76 -0.07 0.00 -3.07 0.00 0.00 36.82 35.51 3k49 h ILE 592 CO 0.11 0.36 0.56 1.56 -0.69 0.00 0.00 178.15 180.04 3k49 h GLN 593 N 0.85 0.94 0.00 2.37 4.20 -1.17 -2.03 115.11 120.27 3k49 h GLN 593 Ca 0.18 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 3k49 h GLN 593 Cb 0.41 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3k49 h GLN 593 CO 0.01 0.62 -0.28 0.87 -0.67 0.00 0.00 178.83 179.38 3k49 h LYS 594 N 0.97 0.00 0.00 1.46 1.79 -0.88 -1.25 116.57 118.66 3k49 h LYS 594 Ca 0.41 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.81 3k49 h LYS 594 Cb 0.28 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 3k49 h LYS 594 CO -0.21 0.28 -0.37 0.74 -1.08 0.00 0.00 179.45 178.82 3k49 h PHE 595 N 0.00 0.00 -0.20 -1.35 -1.00 -0.94 0.53 116.94 113.98 3k49 h PHE 595 Ca -0.00 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.59 3k49 h PHE 595 Cb 0.62 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.18 3k49 h PHE 595 CO 0.00 0.37 -0.63 0.74 -1.61 0.00 0.00 178.31 177.17 3k49 h PHE 596 N 0.00 0.92 -0.11 -0.55 -1.00 -1.11 -0.35 116.94 114.74 3k49 h PHE 596 Ca -0.00 -0.36 -0.16 0.00 2.81 0.00 0.00 57.97 60.26 3k49 h PHE 596 Cb 0.83 -0.16 0.01 0.00 3.61 0.00 0.00 35.95 40.23 3k49 h PHE 596 CO 0.00 1.16 -0.54 1.49 -1.61 0.00 0.00 178.31 178.80 3k49 h GLU 597 N 0.52 0.56 -0.09 1.51 4.81 -1.09 -3.37 114.58 117.43 3k49 h GLU 597 Ca -0.01 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3k49 h GLU 597 Cb 1.23 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3k49 h GLU 597 CO 0.13 1.08 0.00 1.19 -0.73 0.00 0.00 179.01 180.68 3k49 n PHE 598 N -4.19 0.11 -2.23 0.92 3.01 0.18 -5.05 117.46 110.21 3k49 n PHE 598 Ca -0.08 -0.28 -0.27 0.00 1.01 0.00 0.00 57.45 57.83 3k49 n PHE 598 Cb 0.62 -0.02 0.05 0.00 -0.01 0.00 0.00 39.48 40.12 3k49 n PHE 598 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3k49 s GLY 599 N -0.73 1.64 0.52 1.37 0.00 -0.14 -4.97 107.32 105.00 3k49 s GLY 599 Ca 0.08 -0.73 -0.05 0.00 0.00 0.00 0.00 44.72 44.02 3k49 s GLY 599 CO 0.06 -0.38 0.83 -1.35 0.00 0.00 0.00 173.10 172.26 3k49 s SER 600 N -4.40 6.03 0.16 1.64 1.04 -1.26 -4.88 113.70 112.03 3k49 s SER 600 Ca 0.57 0.86 -0.22 0.00 0.48 0.00 0.00 55.95 57.64 3k49 s SER 600 Cb -0.11 -2.06 0.06 0.00 0.10 0.00 0.00 66.02 64.01 3k49 s SER 600 CO 0.46 -0.75 1.61 0.50 0.98 0.00 0.00 173.24 176.03 3k49 h LYS 601 N 0.07 -0.23 -0.84 4.02 3.64 -1.98 0.14 116.57 121.40 3k49 h LYS 601 Ca -0.46 0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.13 3k49 h LYS 601 Cb 1.22 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 32.97 3k49 h LYS 601 CO 0.61 -0.15 0.29 0.82 -2.27 0.00 0.00 179.45 178.75 3k49 h ILE 602 N -0.24 0.47 -0.17 2.00 1.08 -1.99 0.18 117.51 118.84 3k49 h ILE 602 Ca 0.17 -0.11 -0.19 0.00 -0.39 0.00 0.00 64.86 64.34 3k49 h ILE 602 Cb 0.52 0.11 0.01 0.00 -3.07 0.00 0.00 36.82 34.39 3k49 h ILE 602 CO -0.51 0.06 -0.63 1.56 -0.69 0.00 0.00 178.15 177.94 3k49 h GLN 603 N 0.33 0.73 -0.49 2.37 4.20 -1.41 -2.48 115.11 118.37 3k49 h GLN 603 Ca 0.50 -0.55 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 3k49 h GLN 603 Cb 0.93 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 3k49 h GLN 603 CO -0.54 1.17 -0.06 0.87 -0.67 0.00 0.00 178.83 179.60 3k49 h LYS 604 N 0.44 0.85 -0.72 1.46 1.57 -0.23 -2.41 116.57 117.53 3k49 h LYS 604 Ca -0.03 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 3k49 h LYS 604 Cb 1.25 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 3k49 h LYS 604 CO 0.13 0.89 0.33 -0.91 -0.57 0.00 0.00 179.45 179.33 3k49 h ASN 605 N 0.78 0.95 -0.44 0.86 2.35 -0.65 -1.76 115.58 117.67 3k49 h ASN 605 Ca 0.14 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 3k49 h ASN 605 Cb 0.56 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3k49 h ASN 605 CO 0.03 0.82 0.02 0.74 -1.65 0.00 0.00 177.43 177.39 3k49 h THR 606 N 1.03 1.26 -0.43 2.81 2.02 -1.10 -1.05 112.91 117.45 3k49 h THR 606 Ca 0.25 -0.99 -0.06 0.00 0.77 0.00 0.00 66.41 66.38 3k49 h THR 606 Cb 0.13 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3k49 h THR 606 CO -0.03 0.34 0.03 -0.07 0.37 0.00 0.00 175.52 176.16 3k49 h LEU 607 N 0.60 0.72 -0.59 2.58 3.38 -1.30 -2.61 115.31 118.10 3k49 h LEU 607 Ca 0.13 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.87 3k49 h LEU 607 Cb 0.45 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3k49 h LEU 607 CO 0.02 0.83 0.30 0.58 0.09 0.00 0.00 178.44 180.26 3k49 h VAL 608 N 0.59 0.92 0.00 1.22 2.07 -1.16 -0.40 116.25 119.49 3k49 h VAL 608 Ca 0.13 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3k49 h VAL 608 Cb 0.45 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3k49 h VAL 608 CO 0.02 0.10 0.00 0.44 0.02 0.00 0.00 177.57 178.15 3k49 h ASP 609 N 0.55 0.00 0.80 0.57 3.32 -0.99 0.34 116.42 121.01 3k49 h ASP 609 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3k49 h ASP 609 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3k49 h ASP 609 CO -0.20 0.00 -0.42 0.00 -1.72 0.00 0.00 179.24 176.91 3k49 n GLN 610 N -2.91 0.13 -0.02 3.56 6.02 -0.24 -3.96 117.38 119.96 3k49 n GLN 610 Ca -0.01 0.05 -0.10 0.00 -0.01 0.00 0.00 57.00 56.93 3k49 n GLN 610 Cb 0.19 -1.59 -0.14 0.00 1.02 0.00 0.00 30.24 29.71 3k49 n GLN 610 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3k49 n PHE 611 N -1.78 1.01 -1.65 1.08 3.72 0.11 -4.79 117.46 115.16 3k49 n PHE 611 Ca 0.05 0.35 -0.53 0.00 -0.05 0.00 0.00 57.45 57.26 3k49 n PHE 611 Cb 0.38 -1.18 -0.06 0.00 -0.94 0.00 0.00 39.48 37.68 3k49 n PHE 611 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3k49 n LYS 612 N -3.08 1.29 -0.20 -1.08 5.02 -0.67 0.30 118.16 119.74 3k49 n LYS 612 Ca -0.19 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 3k49 n LYS 612 Cb 1.05 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 3k49 n LYS 612 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k49 n GLY 613 N 3.36 1.44 0.00 0.72 0.00 -1.26 -4.86 105.19 104.59 3k49 n GLY 613 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3k49 n GLY 613 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k49 n ASN 614 N 0.00 1.54 -0.02 1.61 3.02 0.15 -4.85 115.26 116.71 3k49 n ASN 614 Ca 0.00 -1.69 -0.11 0.00 -0.03 0.00 0.00 54.58 52.76 3k49 n ASN 614 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 3k49 n ASN 614 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 3k49 h MET 615 N 0.00 -0.38 -0.12 3.52 2.86 -1.86 -1.38 114.93 117.56 3k49 h MET 615 Ca 0.00 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3k49 h MET 615 Cb 0.48 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 3k49 h MET 615 CO 0.00 -0.25 -0.08 -0.22 1.06 0.00 0.00 176.91 177.41 3k49 h LYS 616 N -0.40 -0.08 -0.12 1.72 3.64 -1.89 0.27 116.57 119.72 3k49 h LYS 616 Ca 0.10 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3k49 h LYS 616 Cb 0.57 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 3k49 h LYS 616 CO -0.40 -0.06 0.08 0.37 -2.27 0.00 0.00 179.45 177.18 3k49 h GLN 617 N -0.09 0.16 -0.85 1.90 4.15 -1.86 -1.93 115.11 116.59 3k49 h GLN 617 Ca 0.08 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 3k49 h GLN 617 Cb 0.20 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.81 3k49 h GLN 617 CO -0.18 0.12 0.52 -0.07 -1.93 0.00 0.00 178.83 177.30 3k49 h LEU 618 N 0.15 1.01 -1.81 -2.39 3.38 -0.87 -2.31 115.31 112.47 3k49 h LEU 618 Ca 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3k49 h LEU 618 Cb -0.00 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 3k49 h LEU 618 CO -0.01 0.76 -0.08 0.28 0.09 0.00 0.00 178.44 179.48 3k49 h SER 619 N 1.16 0.00 0.64 -0.43 0.02 0.08 -2.32 113.55 112.70 3k49 h SER 619 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3k49 h SER 619 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 3k49 h SER 619 CO -0.06 0.08 -1.02 0.18 -1.14 0.00 0.00 176.83 174.87 3k49 n LEU 620 N -3.34 0.64 -4.78 5.07 4.77 -0.78 -3.35 117.00 115.25 3k49 n LEU 620 Ca -0.01 0.13 -0.37 0.00 -0.03 0.00 0.00 56.01 55.73 3k49 n LEU 620 Cb 0.27 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 3k49 n LEU 620 CO 0.28 -0.05 0.69 -1.10 -1.33 0.00 0.00 177.39 175.89 3k49 s GLN 621 N -3.26 4.48 0.27 3.23 -0.21 -0.90 -4.73 119.66 118.54 3k49 s GLN 621 Ca 0.02 1.45 -0.03 0.00 0.02 0.00 0.00 55.36 56.83 3k49 s GLN 621 Cb 0.13 -2.80 0.37 0.00 1.00 0.00 0.00 33.01 31.71 3k49 s GLN 621 CO 0.79 0.16 1.86 1.98 -2.12 0.00 0.00 175.29 177.96 3k49 h MET 622 N 3.10 0.98 0.03 2.91 1.85 -1.91 -2.59 114.93 119.30 3k49 h MET 622 Ca -0.47 -0.15 -0.36 0.00 -0.61 0.00 0.00 59.70 58.11 3k49 h MET 622 Cb 1.20 -0.17 -0.05 0.00 0.43 0.00 0.00 31.60 33.01 3k49 h MET 622 CO 0.65 0.78 -2.07 0.66 -0.40 0.00 0.00 176.91 176.53 3k49 n TYR 623 N -4.32 0.60 0.29 1.39 0.53 -1.26 -4.40 117.16 110.00 3k49 n TYR 623 Ca 0.06 0.18 0.17 0.00 -1.02 0.00 0.00 57.90 57.30 3k49 n TYR 623 Cb 0.16 -1.07 0.89 0.00 -1.03 0.00 0.00 39.34 38.29 3k49 n TYR 623 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3k49 h ALA 624 N -0.34 1.14 0.00 -0.72 0.00 -1.34 -0.60 119.26 117.40 3k49 h ALA 624 Ca -0.51 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 3k49 h ALA 624 Cb 1.73 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 3k49 h ALA 624 CO -0.15 0.06 -0.30 0.00 0.00 0.00 0.00 179.25 178.86 3k49 h ARG 626 N 0.00 0.38 -0.09 0.00 2.47 -1.32 0.56 114.38 116.37 3k49 h ARG 626 Ca -0.00 -0.16 -0.16 0.00 -1.26 0.00 0.00 59.98 58.40 3k49 h ARG 626 Cb 0.60 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.91 3k49 h ARG 626 CO 0.04 0.66 -0.56 0.28 0.56 0.00 0.00 179.97 180.94 3k49 h VAL 627 N 0.33 1.36 -0.56 2.04 2.07 -1.41 -1.70 116.25 118.38 3k49 h VAL 627 Ca 0.04 -1.88 0.02 0.00 0.82 0.00 0.00 66.70 65.69 3k49 h VAL 627 Cb 0.72 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 3k49 h VAL 627 CO 0.06 0.57 0.35 0.40 0.02 0.00 0.00 177.57 178.97 3k49 h ILE 628 N 0.15 1.10 -0.85 4.57 1.08 -1.07 0.97 117.51 123.46 3k49 h ILE 628 Ca -0.04 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 64.16 3k49 h ILE 628 Cb 1.21 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 35.25 3k49 h ILE 628 CO 0.12 0.13 0.44 1.56 -0.69 0.00 0.00 178.15 179.71 3k49 h GLN 629 N 0.71 1.20 -0.49 2.37 4.20 -0.83 -2.04 115.11 120.23 3k49 h GLN 629 Ca 0.22 -0.15 -0.13 0.00 0.06 0.00 0.00 58.65 58.65 3k49 h GLN 629 Cb -0.03 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 3k49 h GLN 629 CO -0.07 0.89 -0.18 -0.22 -0.67 0.00 0.00 178.83 178.58 3k49 h LYS 630 N 1.19 0.98 -0.66 1.46 1.63 -0.90 -3.17 116.57 117.10 3k49 h LYS 630 Ca 0.30 -0.41 -0.00 0.00 -0.85 0.00 0.00 60.65 59.69 3k49 h LYS 630 Cb 0.06 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 3k49 h LYS 630 CO -0.04 1.08 0.41 0.00 -3.45 0.00 0.00 179.45 177.45 3k49 h ALA 631 N 0.87 0.84 -0.85 5.00 0.00 -0.40 -2.70 119.26 122.02 3k49 h ALA 631 Ca 0.11 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3k49 h ALA 631 Cb 0.76 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3k49 h ALA 631 CO 0.06 0.31 0.56 -0.07 0.00 0.00 0.00 179.25 180.11 3k49 h LEU 632 N 0.90 0.87 -1.76 0.00 3.38 -1.36 0.15 115.31 117.48 3k49 h LEU 632 Ca 0.24 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3k49 h LEU 632 Cb -0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3k49 h LEU 632 CO -0.05 0.58 0.17 -0.33 0.09 0.00 0.00 178.44 178.90 3k49 h GLU 633 N 1.00 0.32 0.00 1.13 5.08 -1.48 -3.36 114.58 117.26 3k49 h GLU 633 Ca 0.35 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3k49 h GLU 633 Cb 0.13 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3k49 h GLU 633 CO -0.12 0.21 -1.42 0.66 -1.00 0.00 0.00 179.01 177.35 3k49 n TYR 634 N -4.50 0.00 -2.19 4.33 4.01 -0.09 -5.05 117.16 113.68 3k49 n TYR 634 Ca 0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.48 3k49 n TYR 634 Cb 0.08 -0.22 0.11 0.00 -0.31 0.00 0.00 39.34 38.99 3k49 n TYR 634 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 3k49 s ILE 635 N -2.67 2.15 0.47 -0.72 -4.36 -0.45 -5.05 121.20 110.56 3k49 s ILE 635 Ca -0.03 -0.24 -0.20 0.00 -0.26 0.00 0.00 60.65 59.92 3k49 s ILE 635 Cb 0.07 -2.90 -0.09 0.00 1.25 0.00 0.00 42.46 40.78 3k49 s ILE 635 CO 0.43 0.00 0.99 1.51 0.24 0.00 0.00 174.94 178.10 3k49 s ASP 636 N -4.67 6.64 0.39 4.36 1.47 -1.26 -4.83 116.67 118.77 3k49 s ASP 636 Ca 0.65 1.74 0.17 0.00 1.18 0.00 0.00 52.55 56.29 3k49 s ASP 636 Cb -0.08 -2.54 1.07 0.00 -0.34 0.00 0.00 42.92 41.04 3k49 s ASP 636 CO 0.47 -0.57 1.78 0.77 0.68 0.00 0.00 175.17 178.30 3k49 h SER 637 N 1.52 0.47 0.10 2.11 4.64 -1.96 0.36 113.55 120.80 3k49 h SER 637 Ca -0.49 0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 60.79 3k49 h SER 637 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3k49 h SER 637 CO 0.60 0.11 -0.45 0.78 -0.87 0.00 0.00 176.83 177.00 3k49 h ASN 638 N 0.43 0.45 0.23 4.97 2.35 -2.01 -3.00 115.58 119.00 3k49 h ASN 638 Ca 0.58 -0.21 -0.18 0.00 -0.55 0.00 0.00 56.30 55.94 3k49 h ASN 638 Cb 1.42 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.66 3k49 h ASN 638 CO -0.29 0.84 -0.70 1.56 -1.65 0.00 0.00 177.43 177.19 3k49 h GLN 639 N 0.34 0.42 0.23 0.81 4.20 -0.67 -2.06 115.11 118.39 3k49 h GLN 639 Ca 0.02 -0.33 0.01 0.00 0.06 0.00 0.00 58.65 58.41 3k49 h GLN 639 Cb 0.93 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.74 3k49 h GLN 639 CO 0.08 0.97 -0.38 0.00 -0.67 0.00 0.00 178.83 178.83 3k49 h ARG 640 N 0.29 -0.66 -0.49 1.46 3.08 -1.27 -1.70 114.38 115.09 3k49 h ARG 640 Ca -0.03 0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3k49 h ARG 640 Cb 1.27 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.45 3k49 h ARG 640 CO 0.12 -0.44 0.02 0.97 -1.07 0.00 0.00 179.97 179.57 3k49 h ILE 641 N -0.68 1.24 -0.50 2.04 6.09 -1.53 -0.80 117.51 123.36 3k49 h ILE 641 Ca 0.00 -0.97 0.04 0.00 -1.37 0.00 0.00 64.86 62.56 3k49 h ILE 641 Cb 0.66 0.84 -0.04 0.00 0.47 0.00 0.00 36.82 38.75 3k49 h ILE 641 CO -0.15 0.35 0.25 -0.08 -3.07 0.00 0.00 178.15 175.44 3k49 h GLU 642 N 0.75 0.47 -0.11 2.19 4.81 -1.21 0.80 114.58 122.28 3k49 h GLU 642 Ca 0.15 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3k49 h GLU 642 Cb 0.43 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 3k49 h GLU 642 CO 0.02 0.31 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.48 3k49 h LEU 643 N 0.49 0.25 -1.45 1.64 3.38 -1.04 -3.28 115.31 115.29 3k49 h LEU 643 Ca 0.22 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3k49 h LEU 643 Cb 0.14 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3k49 h LEU 643 CO -0.16 0.62 -0.13 0.58 0.09 0.00 0.00 178.44 179.44 3k49 h VAL 644 N -0.12 1.17 -0.23 1.22 2.07 -0.85 -2.37 116.25 117.14 3k49 h VAL 644 Ca 0.02 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 66.87 3k49 h VAL 644 Cb 0.53 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3k49 h VAL 644 CO 0.02 0.23 0.40 -0.07 0.02 0.00 0.00 177.57 178.16 3k49 h LEU 645 N 0.19 0.00 -0.14 2.57 3.38 -0.90 0.31 115.31 120.72 3k49 h LEU 645 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3k49 h LEU 645 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3k49 h LEU 645 CO 0.02 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.93 3k49 n GLU 646 N -3.35 0.06 -0.22 1.13 1.02 -0.89 -2.18 120.64 116.22 3k49 n GLU 646 Ca 0.03 0.23 0.10 0.00 -0.02 0.00 0.00 57.16 57.50 3k49 n GLU 646 Cb 0.52 -1.61 0.21 0.00 -0.02 0.00 0.00 31.44 30.54 3k49 n GLU 646 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3k49 n LEU 647 N -1.72 3.34 0.28 -4.62 4.77 0.10 -4.64 117.00 114.49 3k49 n LEU 647 Ca 0.04 -1.70 0.17 0.00 -0.03 0.00 0.00 56.01 54.50 3k49 n LEU 647 Cb 0.25 -0.29 0.94 0.00 -2.33 0.00 0.00 43.42 41.99 3k49 n LEU 647 CO 0.19 0.77 1.15 0.77 -1.33 0.00 0.00 177.39 178.94 3k49 h SER 648 N 3.67 0.00 -0.37 -1.43 4.64 -1.53 -1.89 113.55 116.64 3k49 h SER 648 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k49 h SER 648 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3k49 h SER 648 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 3k49 n ASP 649 N -3.62 3.03 -0.28 4.97 8.00 -1.26 -4.54 116.55 122.84 3k49 n ASP 649 Ca -0.01 -2.04 0.03 0.00 0.71 0.00 0.00 54.79 53.48 3k49 n ASP 649 Cb 0.18 -0.26 0.04 0.00 -0.02 0.00 0.00 41.12 41.07 3k49 n ASP 649 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3k49 n SER 650 N 0.55 0.81 0.16 -2.24 7.64 -0.72 -4.89 113.62 114.93 3k49 n SER 650 Ca 0.13 -2.19 -0.14 0.00 1.01 0.00 0.00 58.87 57.68 3k49 n SER 650 Cb 0.46 -0.23 -0.07 0.00 -1.01 0.00 0.00 64.21 63.36 3k49 n SER 650 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3k49 h VAL 651 N 4.05 0.52 -0.57 0.44 2.07 -1.77 0.40 116.25 121.38 3k49 h VAL 651 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3k49 h VAL 651 Cb 1.18 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 3k49 h VAL 651 CO 0.00 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.82 3k49 h LEU 652 N -0.48 0.44 -1.02 2.57 3.38 -1.90 -0.31 115.31 117.99 3k49 h LEU 652 Ca -0.00 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3k49 h LEU 652 Cb 0.45 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3k49 h LEU 652 CO -0.05 0.30 0.66 -0.61 0.09 0.00 0.00 178.44 178.82 3k49 h GLN 653 N 0.57 1.26 -0.53 1.13 4.15 -1.80 -2.60 115.11 117.29 3k49 h GLN 653 Ca 0.25 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 3k49 h GLN 653 Cb 0.15 -0.28 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 3k49 h GLN 653 CO -0.16 0.84 0.19 0.52 -1.93 0.00 0.00 178.83 178.28 3k49 h MET 654 N 1.30 0.81 0.00 1.69 2.86 0.12 -2.52 114.93 119.19 3k49 h MET 654 Ca 0.38 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.80 3k49 h MET 654 Cb -0.07 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 3k49 h MET 654 CO -0.10 0.73 -0.26 0.82 1.06 0.00 0.00 176.91 179.16 3k49 h ILE 655 N 0.73 0.96 0.00 -1.22 2.04 -0.92 -0.36 117.51 118.74 3k49 h ILE 655 Ca 0.17 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3k49 h ILE 655 Cb 0.24 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3k49 h ILE 655 CO -0.01 0.26 -0.69 0.11 0.00 0.00 0.00 178.15 177.82 3k49 h LYS 656 N 0.00 0.00 -6.64 2.37 1.57 -1.26 -3.41 116.57 109.21 3k49 h LYS 656 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3k49 h LYS 656 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3k49 h LYS 656 CO 0.03 0.00 0.46 0.34 -0.57 0.00 0.00 179.45 179.72 3k49 s ASP 657 N -4.71 7.29 0.45 0.86 2.15 -0.97 -4.94 116.67 116.80 3k49 s ASP 657 Ca 0.04 2.04 0.19 0.00 0.43 0.00 0.00 52.55 55.26 3k49 s ASP 657 Cb 0.12 -2.60 1.15 0.00 -0.30 0.00 0.00 42.92 41.29 3k49 s ASP 657 CO 0.74 -0.21 1.89 -0.61 -0.17 0.00 0.00 175.17 176.81 3k49 h GLN 658 N 5.25 0.31 0.03 4.34 4.15 -1.89 -2.32 115.11 124.99 3k49 h GLN 658 Ca -0.44 -0.02 -0.38 0.00 0.77 0.00 0.00 58.65 58.58 3k49 h GLN 658 Cb 1.21 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.77 3k49 h GLN 658 CO 0.73 0.21 -2.37 0.09 -1.93 0.00 0.00 178.83 175.56 3k49 n ASN 659 N -4.46 1.89 0.23 -0.69 3.02 -1.26 -4.54 115.26 109.45 3k49 n ASN 659 Ca 0.17 -0.05 0.10 0.00 -0.03 0.00 0.00 54.58 54.77 3k49 n ASN 659 Cb 0.68 -0.43 0.52 0.00 -0.61 0.00 0.00 39.78 39.94 3k49 n ASN 659 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3k49 h GLY 660 N 1.94 0.00 2.00 7.41 0.00 -1.53 -3.02 103.07 109.87 3k49 h GLY 660 Ca -0.54 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.71 3k49 h GLY 660 CO -0.05 0.00 -0.37 3.45 0.00 0.00 0.00 176.54 179.57 3k49 h ASN 661 N 0.00 0.00 0.56 0.19 7.08 -0.49 -2.03 115.58 120.88 3k49 h ASN 661 Ca -0.00 0.00 -0.18 0.00 -3.08 0.00 0.00 56.30 53.04 3k49 h ASN 661 Cb 0.64 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.87 3k49 h ASN 661 CO 0.03 0.37 -0.78 0.45 -2.08 0.00 0.00 177.43 175.42 3k49 h HIS 662 N 0.00 0.24 -0.22 4.14 3.86 -1.80 -1.78 115.15 119.58 3k49 h HIS 662 Ca -0.00 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.04 3k49 h HIS 662 Cb 0.72 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.15 3k49 h HIS 662 CO 0.00 0.88 -0.06 0.28 0.86 0.00 0.00 177.93 179.89 3k49 h VAL 663 N 0.11 1.29 -0.06 2.45 2.07 -1.54 -0.60 116.25 119.96 3k49 h VAL 663 Ca -0.03 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.47 3k49 h VAL 663 Cb 1.37 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.62 3k49 h VAL 663 CO 0.12 0.33 -0.23 0.40 0.02 0.00 0.00 177.57 178.21 3k49 h ILE 664 N 0.16 0.46 -0.54 4.57 1.08 -1.35 0.36 117.51 122.25 3k49 h ILE 664 Ca 0.06 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.59 3k49 h ILE 664 Cb 0.52 0.46 -0.06 0.00 -3.07 0.00 0.00 36.82 34.68 3k49 h ILE 664 CO 0.02 0.00 0.24 1.56 -0.69 0.00 0.00 178.15 179.28 3k49 h GLN 665 N -0.33 0.44 -0.56 2.37 4.20 -1.28 -0.07 115.11 119.89 3k49 h GLN 665 Ca 0.08 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 3k49 h GLN 665 Cb 0.44 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3k49 h GLN 665 CO -0.25 0.29 0.17 -0.22 -0.67 0.00 0.00 178.83 178.15 3k49 h LYS 666 N 0.45 0.86 -0.55 1.46 1.63 -0.75 -1.07 116.57 118.60 3k49 h LYS 666 Ca 0.25 -0.19 0.08 0.00 -0.85 0.00 0.00 60.65 59.94 3k49 h LYS 666 Cb 0.23 -0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 31.67 3k49 h LYS 666 CO -0.22 0.78 0.21 0.00 -3.45 0.00 0.00 179.45 176.78 3k49 h ALA 667 N 1.04 0.70 -0.64 5.00 0.00 0.27 -0.97 119.26 124.66 3k49 h ALA 667 Ca 0.18 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3k49 h ALA 667 Cb 0.28 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3k49 h ALA 667 CO -0.01 -0.18 0.36 0.82 0.00 0.00 0.00 179.25 180.24 3k49 h ILE 668 N 0.40 1.19 0.00 0.00 2.04 -0.48 -0.92 117.51 119.74 3k49 h ILE 668 Ca 0.27 -0.47 -0.12 0.00 1.00 0.00 0.00 64.86 65.54 3k49 h ILE 668 Cb 0.29 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3k49 h ILE 668 CO -0.26 0.21 -0.58 -0.33 0.00 0.00 0.00 178.15 177.19 3k49 h GLU 669 N 0.89 0.00 0.00 2.37 5.08 -0.42 -3.33 114.58 119.17 3k49 h GLU 669 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3k49 h GLU 669 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3k49 h GLU 669 CO -0.04 0.58 -1.55 0.25 -1.00 0.00 0.00 179.01 177.26 3k49 n THR 670 N -3.65 0.00 -5.06 1.13 -2.24 -0.44 -4.95 114.28 99.06 3k49 n THR 670 Ca -0.01 -0.32 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 3k49 n THR 670 Cb 0.63 0.35 -0.16 0.00 -2.10 0.00 0.00 70.33 69.05 3k49 n THR 670 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3k49 s ILE 671 N -3.11 1.76 0.13 2.28 1.01 -0.37 -5.05 121.20 117.84 3k49 s ILE 671 Ca -0.03 -0.90 -0.32 0.00 0.00 0.00 0.00 60.65 59.41 3k49 s ILE 671 Cb 0.12 -1.50 -0.11 0.00 0.01 0.00 0.00 42.46 40.98 3k49 s ILE 671 CO 0.76 0.50 1.80 -2.65 0.00 0.00 0.00 174.94 175.35 3k49 n PRO 672 N 3.05 2.72 -0.12 2.79 -0.02 -1.26 -4.70 135.00 137.46 3k49 n PRO 672 Ca -0.18 0.99 0.23 0.00 -2.02 0.00 0.00 63.50 62.52 3k49 n PRO 672 Cb 0.52 -2.87 0.66 0.00 -0.02 0.00 0.00 33.50 31.80 3k49 n PRO 672 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3k49 h ILE 673 N 4.47 0.66 -0.51 4.25 6.09 -1.88 0.60 117.51 131.19 3k49 h ILE 673 Ca -0.46 -0.03 0.15 0.00 -1.37 0.00 0.00 64.86 63.15 3k49 h ILE 673 Cb 1.22 0.56 -0.02 0.00 0.47 0.00 0.00 36.82 39.05 3k49 h ILE 673 CO 0.95 0.02 0.39 1.05 -3.07 0.00 0.00 178.15 177.49 3k49 h GLU 674 N 0.10 0.00 -0.01 2.19 4.11 -1.94 0.23 114.58 119.26 3k49 h GLU 674 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.79 3k49 h GLU 674 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3k49 h GLU 674 CO -0.04 0.00 -0.09 1.63 0.07 0.00 0.00 179.01 180.59 3k49 n LYS 675 N -4.25 1.03 -2.53 1.06 5.02 0.21 -4.28 118.16 114.42 3k49 n LYS 675 Ca 0.09 -0.44 -0.25 0.00 -2.02 0.00 0.00 58.31 55.70 3k49 n LYS 675 Cb 0.61 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 3k49 n LYS 675 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3k49 n LEU 676 N -0.61 4.32 0.18 -0.35 4.77 0.82 -4.87 117.00 121.25 3k49 n LEU 676 Ca 0.17 -5.08 0.04 0.00 -0.03 0.00 0.00 56.01 51.11 3k49 n LEU 676 Cb 0.28 -0.36 0.43 0.00 -2.33 0.00 0.00 43.42 41.45 3k49 n LEU 676 CO 0.21 2.17 0.86 -0.65 -1.33 0.00 0.00 177.39 178.66 3k49 h PRO 677 N 2.65 0.09 0.00 3.23 0.11 -1.74 -2.78 132.00 133.55 3k49 h PRO 677 Ca 0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3k49 h PRO 677 Cb 0.93 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3k49 h PRO 677 CO 0.81 0.29 0.00 1.97 -0.21 0.00 0.00 178.00 180.86 3k49 n PHE 678 N -4.26 0.13 0.09 0.65 1.16 -1.26 -2.41 117.46 111.56 3k49 n PHE 678 Ca -0.02 0.06 -0.04 0.00 -1.87 0.00 0.00 57.45 55.57 3k49 n PHE 678 Cb 0.28 -0.59 -0.02 0.00 -1.61 0.00 0.00 39.48 37.54 3k49 n PHE 678 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 3k49 h ILE 679 N 0.00 0.00 -0.73 1.97 2.04 -1.85 -3.04 117.51 115.90 3k49 h ILE 679 Ca 0.00 -0.44 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 3k49 h ILE 679 Cb 0.20 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 3k49 h ILE 679 CO 0.00 0.00 0.21 0.25 0.00 0.00 0.00 178.15 178.61 3k49 h LEU 680 N -0.73 1.08 -2.37 1.44 5.85 -1.75 -2.17 115.31 116.67 3k49 h LEU 680 Ca -0.03 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.50 3k49 h LEU 680 Cb 0.22 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 3k49 h LEU 680 CO 0.05 1.02 0.09 0.77 -0.34 0.00 0.00 178.44 180.02 3k49 h SER 681 N 1.10 0.00 0.96 1.25 4.64 -1.62 0.24 113.55 120.12 3k49 h SER 681 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3k49 h SER 681 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3k49 h SER 681 CO -0.00 0.00 -0.44 -1.20 -0.87 0.00 0.00 176.83 174.32 3k49 n SER 682 N -3.81 0.66 0.01 4.97 7.64 -0.83 -4.14 113.62 118.12 3k49 n SER 682 Ca -0.01 0.20 0.08 0.00 1.01 0.00 0.00 58.87 60.14 3k49 n SER 682 Cb 0.19 -0.08 -0.12 0.00 -1.01 0.00 0.00 64.21 63.19 3k49 n SER 682 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3k49 n LEU 683 N -2.03 0.29 -4.69 -3.43 4.32 0.82 -4.84 117.00 107.43 3k49 n LEU 683 Ca 0.04 0.12 -0.44 0.00 -0.02 0.00 0.00 56.01 55.71 3k49 n LEU 683 Cb 0.42 0.05 -0.03 0.00 -1.62 0.00 0.00 43.42 42.24 3k49 n LEU 683 CO 0.34 0.03 1.27 0.35 -1.22 0.00 0.00 177.39 178.16 3k49 n THR 684 N -2.48 0.11 0.00 -5.08 -2.24 -0.94 0.61 114.28 104.26 3k49 n THR 684 Ca -0.07 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3k49 n THR 684 Cb 0.66 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 3k49 n THR 684 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k49 n GLY 685 N 3.52 3.25 0.46 3.38 0.00 -1.26 -4.85 105.19 109.69 3k49 n GLY 685 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 3k49 n GLY 685 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k49 n HIS 686 N -1.20 0.00 -0.31 1.61 -0.00 0.20 -4.73 115.22 110.79 3k49 n HIS 686 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 3k49 n HIS 686 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.06 3k49 n HIS 686 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3k49 h ILE 687 N 2.27 1.25 0.10 1.59 2.04 -1.87 -0.07 117.51 122.83 3k49 h ILE 687 Ca 0.00 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 3k49 h ILE 687 Cb 0.54 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3k49 h ILE 687 CO 0.00 0.30 -0.05 0.22 0.00 0.00 0.00 178.15 178.62 3k49 h TYR 688 N 1.18 -0.13 -0.51 1.37 3.20 -1.85 -1.51 116.97 118.73 3k49 h TYR 688 Ca 0.29 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.25 3k49 h TYR 688 Cb 0.08 0.04 -0.10 0.00 1.54 0.00 0.00 36.73 38.29 3k49 h TYR 688 CO 0.01 0.14 -0.36 1.25 -1.64 0.00 0.00 178.16 177.57 3k49 h HIS 689 N -0.40 -1.00 -0.41 -3.82 2.76 -1.79 -1.21 115.15 109.28 3k49 h HIS 689 Ca -0.01 0.07 0.03 0.00 -2.20 0.00 0.00 60.37 58.25 3k49 h HIS 689 Cb 0.33 0.51 -0.02 0.00 1.55 0.00 0.00 27.41 29.78 3k49 h HIS 689 CO 0.01 -0.39 0.28 -0.07 -1.30 0.00 0.00 177.93 176.45 3k49 h LEU 690 N -0.22 0.38 -0.47 0.26 3.38 -0.93 -2.05 115.31 115.66 3k49 h LEU 690 Ca 0.20 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3k49 h LEU 690 Cb 0.55 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3k49 h LEU 690 CO -0.62 0.26 0.00 -1.20 0.09 0.00 0.00 178.44 176.97 3k49 n SER 691 N -4.48 0.60 -0.55 -0.43 7.64 -0.48 -1.87 113.62 114.05 3k49 n SER 691 Ca 0.04 0.63 0.07 0.00 1.01 0.00 0.00 58.87 60.62 3k49 n SER 691 Cb 0.15 -0.76 0.06 0.00 -1.01 0.00 0.00 64.21 62.65 3k49 n SER 691 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3k49 n THR 692 N -2.14 0.00 -3.19 0.44 -2.24 -0.80 -2.27 114.28 104.09 3k49 n THR 692 Ca 0.03 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 61.00 3k49 n THR 692 Cb 0.26 1.28 -0.04 0.00 -2.10 0.00 0.00 70.33 69.74 3k49 n THR 692 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3k49 s HIS 693 N -1.15 3.45 0.21 4.78 5.04 -0.78 -4.66 115.29 122.18 3k49 s HIS 693 Ca 0.16 0.90 -0.10 0.00 -1.54 0.00 0.00 55.06 54.48 3k49 s HIS 693 Cb 0.12 -2.30 0.16 0.00 0.04 0.00 0.00 32.58 30.59 3k49 s HIS 693 CO 0.17 0.11 1.88 1.03 -2.34 0.00 0.00 174.74 175.59 3k49 h SER 694 N 1.87 0.87 0.22 9.88 0.87 -1.94 -2.65 113.55 122.66 3k49 h SER 694 Ca -0.47 -0.02 -0.35 0.00 -1.23 0.00 0.00 61.79 59.72 3k49 h SER 694 Cb 1.18 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.89 3k49 h SER 694 CO 0.66 0.63 -1.99 -1.22 -0.53 0.00 0.00 176.83 174.38 3k49 n TYR 695 N -4.56 0.94 0.11 2.24 0.53 -1.26 -4.19 117.16 110.97 3k49 n TYR 695 Ca 0.07 0.25 0.16 0.00 -1.02 0.00 0.00 57.90 57.36 3k49 n TYR 695 Cb 0.02 -1.14 0.69 0.00 -1.03 0.00 0.00 39.34 37.88 3k49 n TYR 695 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 3k49 h GLY 696 N 2.20 0.00 2.00 2.72 0.00 -1.62 -1.74 103.07 106.63 3k49 h GLY 696 Ca -0.41 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.75 3k49 h GLY 696 CO 0.06 0.00 -0.80 0.00 0.00 0.00 0.00 176.54 175.80 3k49 h ARG 698 N 0.00 -0.02 -0.30 0.00 2.47 -1.51 -1.14 114.38 113.88 3k49 h ARG 698 Ca -0.01 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.74 3k49 h ARG 698 Cb 1.55 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.85 3k49 h ARG 698 CO 0.10 0.36 0.14 0.28 0.56 0.00 0.00 179.97 181.41 3k49 h VAL 699 N -0.40 0.97 -0.33 2.04 2.07 -1.49 -1.02 116.25 118.08 3k49 h VAL 699 Ca -0.00 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.48 3k49 h VAL 699 Cb 0.39 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 3k49 h VAL 699 CO 0.00 0.05 -0.04 0.40 0.02 0.00 0.00 177.57 178.01 3k49 h ILE 700 N 0.29 0.72 -0.89 4.57 1.08 -1.21 0.32 117.51 122.39 3k49 h ILE 700 Ca 0.13 -0.02 0.11 0.00 -0.39 0.00 0.00 64.86 64.69 3k49 h ILE 700 Cb 0.06 0.66 -0.07 0.00 -3.07 0.00 0.00 36.82 34.40 3k49 h ILE 700 CO -0.10 0.01 0.57 1.56 -0.69 0.00 0.00 178.15 179.50 3k49 h GLN 701 N 0.05 0.80 -0.17 2.37 4.20 -0.84 -0.50 115.11 121.02 3k49 h GLN 701 Ca 0.16 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.66 3k49 h GLN 701 Cb 0.23 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3k49 h GLN 701 CO -0.30 0.53 -0.52 0.00 -0.67 0.00 0.00 178.83 177.86 3k49 h ARG 702 N 0.82 0.65 -0.88 1.46 2.47 0.23 -2.17 114.38 116.97 3k49 h ARG 702 Ca 0.43 -0.48 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3k49 h ARG 702 Cb 0.51 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.87 3k49 h ARG 702 CO -0.19 1.10 0.57 -0.07 0.56 0.00 0.00 179.97 181.93 3k49 h LEU 703 N 0.33 1.02 -0.22 3.04 3.38 0.29 -0.58 115.31 122.57 3k49 h LEU 703 Ca -0.02 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3k49 h LEU 703 Cb 1.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3k49 h LEU 703 CO 0.11 0.76 0.06 -0.07 0.09 0.00 0.00 178.44 179.39 3k49 h LEU 704 N 1.20 0.34 -0.59 1.67 3.38 -1.12 0.33 115.31 120.52 3k49 h LEU 704 Ca 0.32 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3k49 h LEU 704 Cb -0.11 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3k49 h LEU 704 CO -0.07 0.47 0.36 -0.08 0.09 0.00 0.00 178.44 179.22 3k49 h GLU 705 N 0.19 0.79 -0.01 1.13 4.81 -0.85 -3.21 114.58 117.43 3k49 h GLU 705 Ca 0.07 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3k49 h GLU 705 Cb 0.26 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3k49 h GLU 705 CO -0.00 0.56 -0.65 1.19 -0.73 0.00 0.00 179.01 179.38 3k49 n PHE 706 N -4.64 0.00 -2.28 0.92 3.01 -0.27 -5.00 117.46 109.19 3k49 n PHE 706 Ca 0.04 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.18 3k49 n PHE 706 Cb 0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.49 3k49 n PHE 706 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3k49 s GLY 707 N -2.64 1.98 0.90 1.37 0.00 0.12 -4.65 107.32 104.40 3k49 s GLY 707 Ca 0.15 0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.89 3k49 s GLY 707 CO 0.67 0.41 1.10 -1.35 0.00 0.00 0.00 173.10 173.92 3k49 s SER 708 N -3.29 3.34 0.43 1.64 1.04 -1.26 -4.77 113.70 110.83 3k49 s SER 708 Ca 0.58 1.78 0.17 0.00 0.48 0.00 0.00 55.95 58.97 3k49 s SER 708 Cb -0.10 -2.40 1.09 0.00 0.10 0.00 0.00 66.02 64.71 3k49 s SER 708 CO 0.36 -2.77 1.91 -1.28 0.98 0.00 0.00 173.24 172.44 3k49 h SER 709 N -1.64 0.36 -0.16 7.02 0.87 -1.97 -0.88 113.55 117.16 3k49 h SER 709 Ca -0.47 0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 59.95 3k49 h SER 709 Cb 1.27 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 63.19 3k49 h SER 709 CO 0.50 0.18 -0.52 -0.33 -0.53 0.00 0.00 176.83 176.12 3k49 h GLU 710 N 0.38 0.62 -0.31 2.24 3.07 -1.99 -1.95 114.58 116.65 3k49 h GLU 710 Ca 0.39 -0.47 0.05 0.00 -0.50 0.00 0.00 59.36 58.83 3k49 h GLU 710 Cb 0.96 0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.92 3k49 h GLU 710 CO -0.12 1.09 0.05 -0.44 -1.40 0.00 0.00 179.01 178.18 3k49 h ASP 711 N 0.29 -0.01 -0.81 1.42 3.32 -1.62 -0.15 116.42 118.86 3k49 h ASP 711 Ca -0.02 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.13 3k49 h ASP 711 Cb 1.14 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 3k49 h ASP 711 CO 0.11 0.03 0.53 1.56 -1.72 0.00 0.00 179.24 179.75 3k49 h GLN 712 N 0.16 0.93 -0.21 3.56 4.20 -1.15 -1.85 115.11 120.75 3k49 h GLN 712 Ca 0.14 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 3k49 h GLN 712 Cb 0.16 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3k49 h GLN 712 CO -0.20 0.61 0.06 1.49 -0.67 0.00 0.00 178.83 180.12 3k49 h GLU 713 N 0.95 0.33 -0.22 1.46 4.81 -0.53 -0.93 114.58 120.45 3k49 h GLU 713 Ca 0.33 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 3k49 h GLU 713 Cb 0.12 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3k49 h GLU 713 CO -0.11 0.44 0.15 1.03 -0.73 0.00 0.00 179.01 179.79 3k49 h SER 714 N 0.15 0.17 0.14 1.04 0.87 -0.50 -1.47 113.55 113.95 3k49 h SER 714 Ca 0.07 -0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.39 3k49 h SER 714 Cb 0.26 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.19 3k49 h SER 714 CO -0.00 0.12 -1.11 0.40 -0.53 0.00 0.00 176.83 175.71 3k49 h ILE 715 N 0.20 1.31 0.00 2.23 2.04 -1.12 -3.33 117.51 118.83 3k49 h ILE 715 Ca 0.09 -2.50 -0.05 0.00 1.00 0.00 0.00 64.86 63.39 3k49 h ILE 715 Cb 0.13 3.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 3k49 h ILE 715 CO -0.02 0.72 -0.26 -0.07 0.00 0.00 0.00 178.15 178.52 3k49 h LEU 716 N -0.29 0.00 -0.94 1.44 3.38 -0.90 -2.74 115.31 115.25 3k49 h LEU 716 Ca -0.22 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 3k49 h LEU 716 Cb 1.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 3k49 h LEU 716 CO 0.13 0.26 -0.34 0.78 0.09 0.00 0.00 178.44 179.36 3k49 h ASN 717 N 0.00 0.36 0.38 -0.43 2.35 -1.40 -0.65 115.58 116.20 3k49 h ASN 717 Ca -0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3k49 h ASN 717 Cb 0.78 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.05 3k49 h ASN 717 CO 0.03 0.68 -0.02 -0.62 -1.65 0.00 0.00 177.43 175.86 3k49 n GLU 718 N -4.08 0.63 -0.02 0.81 1.02 -1.04 -3.77 120.64 114.20 3k49 n GLU 718 Ca -0.01 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3k49 n GLU 718 Cb 0.44 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.31 3k49 n GLU 718 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3k49 n LEU 719 N -1.14 0.00 0.00 -4.62 4.77 -0.96 -4.46 117.00 110.59 3k49 n LEU 719 Ca 0.17 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.23 3k49 n LEU 719 Cb 0.22 0.08 0.44 0.00 -2.33 0.00 0.00 43.42 41.83 3k49 n LEU 719 CO 0.22 0.08 0.68 2.29 -1.33 0.00 0.00 177.39 179.33 3k49 n LYS 720 N -1.98 0.42 -0.06 3.23 2.85 -0.29 -1.24 118.16 121.09 3k49 n LYS 720 Ca -0.06 0.04 0.09 0.00 -1.05 0.00 0.00 58.31 57.33 3k49 n LYS 720 Cb 0.44 -1.50 0.11 0.00 -0.65 0.00 0.00 35.03 33.43 3k49 n LYS 720 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3k49 n ASP 721 N -1.07 2.76 -0.36 -5.58 10.43 -1.26 -4.63 116.55 116.84 3k49 n ASP 721 Ca 0.11 -1.83 0.03 0.00 2.57 0.00 0.00 54.79 55.67 3k49 n ASP 721 Cb 0.07 -0.08 0.04 0.00 1.84 0.00 0.00 41.12 43.00 3k49 n ASP 721 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3k49 n PHE 722 N 1.09 0.00 -0.35 1.24 3.72 -0.37 -4.88 117.46 117.91 3k49 n PHE 722 Ca 0.13 -0.30 0.08 0.00 -0.05 0.00 0.00 57.45 57.31 3k49 n PHE 722 Cb 0.49 -0.08 0.26 0.00 -0.94 0.00 0.00 39.48 39.21 3k49 n PHE 722 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3k49 h ILE 723 N 4.79 0.88 -0.90 4.37 2.04 -1.82 -0.02 117.51 126.85 3k49 h ILE 723 Ca 0.00 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.60 3k49 h ILE 723 Cb 1.26 -0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 3k49 h ILE 723 CO 0.00 0.17 0.57 -0.65 0.00 0.00 0.00 178.15 178.24 3k49 h PRO 724 N 0.94 1.00 -0.14 2.37 0.11 -1.93 -0.21 132.00 134.13 3k49 h PRO 724 Ca 0.51 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.43 3k49 h PRO 724 Cb 0.57 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.46 3k49 h PRO 724 CO -0.28 0.66 -0.40 1.88 -0.21 0.00 0.00 178.00 179.65 3k49 h TYR 725 N 1.03 0.67 -0.83 0.65 -1.99 -1.43 -3.25 116.97 111.82 3k49 h TYR 725 Ca 0.39 -0.27 0.02 0.00 2.00 0.00 0.00 58.73 60.87 3k49 h TYR 725 Cb 0.17 -0.12 -0.04 0.00 2.00 0.00 0.00 36.73 38.74 3k49 h TYR 725 CO -0.02 1.02 0.55 -0.07 -0.00 0.00 0.00 178.16 179.63 3k49 h LEU 726 N 0.14 0.93 -1.93 3.88 3.38 -1.12 -2.11 115.31 118.47 3k49 h LEU 726 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3k49 h LEU 726 Cb 1.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3k49 h LEU 726 CO 0.09 0.66 0.05 0.40 0.09 0.00 0.00 178.44 179.72 3k49 h ILE 727 N 1.09 1.02 -0.02 1.22 2.04 -1.07 -0.27 117.51 121.52 3k49 h ILE 727 Ca 0.32 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.14 3k49 h ILE 727 Cb -0.07 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3k49 h ILE 727 CO -0.09 0.02 -0.22 0.00 0.00 0.00 0.00 178.15 177.86 3k49 n GLN 728 N -4.53 1.58 -2.78 2.37 6.02 -0.98 -3.67 117.38 115.39 3k49 n GLN 728 Ca -0.02 -1.14 -0.34 0.00 -0.01 0.00 0.00 57.00 55.50 3k49 n GLN 728 Cb 0.09 -1.33 -0.07 0.00 1.02 0.00 0.00 30.24 29.95 3k49 n GLN 728 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3k49 s ASP 729 N -1.83 6.97 0.45 1.08 3.68 -0.83 -4.73 116.67 121.45 3k49 s ASP 729 Ca 0.17 1.75 0.31 0.00 2.13 0.00 0.00 52.55 56.91 3k49 s ASP 729 Cb 0.15 -2.55 1.43 0.00 -1.45 0.00 0.00 42.92 40.50 3k49 s ASP 729 CO 0.36 -0.34 1.93 0.06 0.13 0.00 0.00 175.17 177.31 3k49 h GLN 730 N 2.16 0.00 0.00 4.34 3.07 -1.92 -2.93 115.11 119.83 3k49 h GLN 730 Ca -0.49 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.19 3k49 h GLN 730 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.74 3k49 h GLN 730 CO 0.62 0.00 -1.24 0.66 0.09 0.00 0.00 178.83 178.95 3k49 n TYR 731 N -2.70 0.00 -0.12 0.06 0.53 -1.26 -4.74 117.16 108.94 3k49 n TYR 731 Ca 0.00 0.00 0.19 0.00 -1.02 0.00 0.00 57.90 57.07 3k49 n TYR 731 Cb 0.19 -0.16 0.60 0.00 -1.03 0.00 0.00 39.34 38.94 3k49 n TYR 731 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 3k49 h GLY 732 N 0.09 0.38 2.00 2.72 0.00 -1.56 -1.47 103.07 105.23 3k49 h GLY 732 Ca -0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 3k49 h GLY 732 CO -0.04 0.02 -0.02 3.45 0.00 0.00 0.00 176.54 179.96 3k49 h ASN 733 N 0.21 0.00 -0.22 0.19 7.08 -0.85 -0.77 115.58 121.23 3k49 h ASN 733 Ca 0.35 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 53.37 3k49 h ASN 733 Cb 1.06 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.30 3k49 h ASN 733 CO -0.07 0.02 -0.61 1.88 -2.08 0.00 0.00 177.43 176.57 3k49 h TYR 734 N 0.00 1.06 -0.72 4.14 -1.99 -1.56 -1.85 116.97 116.06 3k49 h TYR 734 Ca -0.00 -0.40 -0.02 0.00 2.00 0.00 0.00 58.73 60.31 3k49 h TYR 734 Cb 0.05 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 38.56 3k49 h TYR 734 CO 0.00 1.22 0.37 0.28 -0.00 0.00 0.00 178.16 180.03 3k49 h VAL 735 N 0.62 1.22 -0.38 -2.88 2.07 -1.24 -0.38 116.25 115.28 3k49 h VAL 735 Ca -0.00 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 3k49 h VAL 735 Cb 1.22 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3k49 h VAL 735 CO 0.13 0.26 0.10 0.40 0.02 0.00 0.00 177.57 178.48 3k49 h ILE 736 N 1.00 1.22 -0.86 4.57 1.08 -1.25 -2.29 117.51 120.99 3k49 h ILE 736 Ca 0.25 -0.74 -0.01 0.00 -0.39 0.00 0.00 64.86 63.97 3k49 h ILE 736 Cb 0.07 0.99 -0.04 0.00 -3.07 0.00 0.00 36.82 34.77 3k49 h ILE 736 CO -0.04 0.26 0.49 1.56 -0.69 0.00 0.00 178.15 179.73 3k49 h GLN 737 N 0.46 1.18 -0.57 2.37 4.20 -0.58 -0.28 115.11 121.88 3k49 h GLN 737 Ca 0.12 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 3k49 h GLN 737 Cb 0.29 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3k49 h GLN 737 CO -0.00 0.85 0.09 -0.92 -0.67 0.00 0.00 178.83 178.18 3k49 h TYR 738 N 1.19 1.00 -0.76 2.96 3.20 -0.91 -2.01 116.97 121.64 3k49 h TYR 738 Ca 0.30 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3k49 h TYR 738 Cb -0.00 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 37.96 3k49 h TYR 738 CO 0.01 0.88 0.40 0.28 -1.64 0.00 0.00 178.16 178.08 3k49 h VAL 739 N 0.83 1.24 -0.57 1.81 2.07 -0.84 -2.99 116.25 117.80 3k49 h VAL 739 Ca 0.17 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.09 3k49 h VAL 739 Cb 0.42 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3k49 h VAL 739 CO 0.01 0.27 0.38 -0.07 0.02 0.00 0.00 177.57 178.18 3k49 h LEU 740 N 1.06 0.61 -0.99 2.57 3.38 -0.73 -2.91 115.31 118.30 3k49 h LEU 740 Ca 0.27 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3k49 h LEU 740 Cb 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3k49 h LEU 740 CO -0.04 0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.92 3k49 n GLN 741 N -4.46 1.67 -1.26 1.13 10.64 -0.78 -4.72 117.38 119.59 3k49 n GLN 741 Ca 0.06 -0.98 -0.31 0.00 -1.83 0.00 0.00 57.00 53.94 3k49 n GLN 741 Cb 0.10 -1.45 0.09 0.00 -0.86 0.00 0.00 30.24 28.11 3k49 n GLN 741 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 3k49 s GLN 742 N -1.93 2.22 0.28 2.61 -1.52 -1.10 -5.07 119.66 115.15 3k49 s GLN 742 Ca 0.36 1.22 0.07 0.00 -1.95 0.00 0.00 55.36 55.06 3k49 s GLN 742 Cb 0.20 -1.89 -0.03 0.00 -0.22 0.00 0.00 33.01 31.07 3k49 s GLN 742 CO 0.31 -1.68 0.26 -0.51 -0.25 0.00 0.00 175.29 173.42 3k49 s ASP 743 N -3.27 5.55 0.00 5.90 1.01 -1.26 -4.99 116.67 119.60 3k49 s ASP 743 Ca 0.62 -0.30 0.00 0.00 0.71 0.00 0.00 52.55 53.59 3k49 s ASP 743 Cb -0.18 -1.30 0.02 0.00 1.01 0.00 0.00 42.92 42.47 3k49 s ASP 743 CO 0.55 -0.17 0.53 0.00 0.21 0.00 0.00 175.17 176.30 3k49 n GLN 744 N -1.29 0.52 0.13 8.23 6.02 -1.26 -2.25 117.38 127.48 3k49 n GLN 744 Ca -0.06 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.94 3k49 n GLN 744 Cb 0.58 -1.01 0.08 0.00 1.02 0.00 0.00 30.24 30.92 3k49 n GLN 744 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 3k49 h PHE 745 N 0.00 0.00 -0.91 1.08 3.04 -2.04 -3.46 116.94 114.65 3k49 h PHE 745 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3k49 h PHE 745 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 3k49 h PHE 745 CO 0.00 0.58 0.00 0.25 -2.02 0.00 0.00 178.31 177.12 3k49 n THR 746 N -3.37 0.00 -1.13 4.41 -2.24 -0.95 -5.04 114.28 105.96 3k49 n THR 746 Ca 0.01 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 3k49 n THR 746 Cb 0.71 -0.63 0.13 0.00 -2.10 0.00 0.00 70.33 68.44 3k49 n THR 746 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3k49 n ASN 747 N -1.77 -0.83 0.10 3.42 0.23 -1.26 -4.94 115.26 110.21 3k49 n ASN 747 Ca 0.00 -1.05 -0.05 0.00 -0.53 0.00 0.00 54.58 52.94 3k49 n ASN 747 Cb 0.00 -0.56 0.05 0.00 -2.08 0.00 0.00 39.78 37.19 3k49 n ASN 747 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 3k49 h LYS 748 N 0.00 0.09 -0.29 -3.83 2.10 -1.97 -3.24 116.57 109.43 3k49 h LYS 748 Ca -0.23 -0.09 -0.16 0.00 -2.00 0.00 0.00 60.65 58.17 3k49 h LYS 748 Cb 0.67 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.03 3k49 h LYS 748 CO 0.16 0.82 -0.45 1.49 -2.00 0.00 0.00 179.45 179.47 3k49 h GLU 749 N 0.06 0.82 0.17 0.07 4.57 -1.95 -2.53 114.58 115.79 3k49 h GLU 749 Ca -0.02 -0.49 -0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3k49 h GLU 749 Cb 1.37 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.99 3k49 h GLU 749 CO 0.11 1.12 -0.13 0.52 -1.18 0.00 0.00 179.01 179.45 3k49 h MET 750 N 0.59 -0.30 -0.42 1.92 2.86 -1.94 -0.90 114.93 116.74 3k49 h MET 750 Ca 0.03 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.77 3k49 h MET 750 Cb 1.05 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.69 3k49 h MET 750 CO 0.10 -0.20 -0.12 0.28 1.06 0.00 0.00 176.91 178.04 3k49 h VAL 751 N -0.31 0.56 -0.38 -2.22 2.07 -1.57 0.52 116.25 114.91 3k49 h VAL 751 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3k49 h VAL 751 Cb 0.28 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3k49 h VAL 751 CO -0.01 0.00 0.16 0.44 0.02 0.00 0.00 177.57 178.17 3k49 h ASP 752 N -0.01 0.52 -0.16 0.57 3.32 -1.30 -1.96 116.42 117.39 3k49 h ASP 752 Ca 0.20 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 3k49 h ASP 752 Cb 0.32 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3k49 h ASP 752 CO -0.44 0.54 -0.18 0.40 -1.72 0.00 0.00 179.24 177.84 3k49 h ILE 753 N 0.47 1.25 -0.39 0.35 1.08 -0.48 -1.88 117.51 117.91 3k49 h ILE 753 Ca 0.13 -1.17 -0.05 0.00 -0.39 0.00 0.00 64.86 63.37 3k49 h ILE 753 Cb 0.17 1.21 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 3k49 h ILE 753 CO -0.01 0.38 0.01 0.50 -0.69 0.00 0.00 178.15 178.35 3k49 h LYS 754 N 0.52 0.61 -0.13 2.37 3.64 0.24 -2.10 116.57 121.72 3k49 h LYS 754 Ca 0.08 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3k49 h LYS 754 Cb 0.60 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3k49 h LYS 754 CO 0.04 0.63 -0.02 0.37 -2.27 0.00 0.00 179.45 178.20 3k49 h GLN 755 N 0.59 0.25 -0.06 1.90 5.75 -0.81 -2.31 115.11 120.43 3k49 h GLN 755 Ca 0.12 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.55 3k49 h GLN 755 Cb 0.35 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.88 3k49 h GLN 755 CO 0.01 0.53 0.06 0.93 -2.65 0.00 0.00 178.83 177.70 3k49 h GLU 756 N -0.04 0.00 -0.00 1.69 5.08 -1.15 0.38 114.58 120.53 3k49 h GLU 756 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3k49 h GLU 756 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3k49 h GLU 756 CO 0.01 0.00 -0.08 0.82 -1.00 0.00 0.00 179.01 178.76 3k49 h ILE 757 N 0.00 1.60 -0.20 3.13 2.04 -1.22 -1.31 117.51 121.55 3k49 h ILE 757 Ca 0.03 -1.88 0.04 0.00 1.00 0.00 0.00 64.86 64.05 3k49 h ILE 757 Cb 0.14 2.85 -0.04 0.00 -0.74 0.00 0.00 36.82 39.03 3k49 h ILE 757 CO -0.00 0.50 -0.08 0.40 0.00 0.00 0.00 178.15 178.97 3k49 h ILE 758 N -0.70 0.74 -0.91 -0.67 1.08 -0.82 0.90 117.51 117.13 3k49 h ILE 758 Ca -0.01 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.48 3k49 h ILE 758 Cb 0.86 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 35.30 3k49 h ILE 758 CO 0.02 0.00 0.60 -0.33 -0.69 0.00 0.00 178.15 177.75 3k49 h GLU 759 N -0.05 1.18 -0.40 2.37 5.08 -0.31 0.55 114.58 123.00 3k49 h GLU 759 Ca 0.10 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 3k49 h GLU 759 Cb 0.20 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3k49 h GLU 759 CO -0.23 0.78 -0.29 1.15 -1.00 0.00 0.00 179.01 179.42 3k49 h THR 760 N 1.21 1.27 -0.27 1.13 2.02 -0.81 -1.39 112.91 116.08 3k49 h THR 760 Ca 0.35 -1.45 -0.13 0.00 0.77 0.00 0.00 66.41 65.95 3k49 h THR 760 Cb -0.09 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3k49 h THR 760 CO -0.09 0.49 -0.35 0.58 0.37 0.00 0.00 175.52 176.52 3k49 h VAL 761 N 0.74 1.29 -0.10 3.16 2.07 0.02 -2.85 116.25 120.58 3k49 h VAL 761 Ca 0.08 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.14 3k49 h VAL 761 Cb 0.85 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 3k49 h VAL 761 CO 0.07 0.47 -0.03 0.00 0.02 0.00 0.00 177.57 178.11 3k49 h ALA 762 N 1.11 0.07 0.00 1.67 0.00 0.44 -0.69 119.26 121.86 3k49 h ALA 762 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k49 h ALA 762 Cb 0.84 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3k49 h ALA 762 CO 0.07 -0.49 0.00 0.09 0.00 0.00 0.00 179.25 178.92 3k49 n ASN 763 N -5.15 0.43 -0.52 0.00 3.02 -0.56 -3.03 115.26 109.44 3k49 n ASN 763 Ca -0.05 0.68 0.02 0.00 -0.03 0.00 0.00 54.58 55.20 3k49 n ASN 763 Cb 0.08 -0.74 0.03 0.00 -0.61 0.00 0.00 39.78 38.54 3k49 n ASN 763 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3k49 n ASN 764 N -2.05 0.52 -0.28 6.41 3.02 -0.90 -4.95 115.26 117.03 3k49 n ASN 764 Ca -0.00 -2.22 0.05 0.00 -0.03 0.00 0.00 54.58 52.37 3k49 n ASN 764 Cb 0.06 -0.26 0.15 0.00 -0.61 0.00 0.00 39.78 39.12 3k49 n ASN 764 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3k49 h VAL 765 N 5.70 0.22 -0.13 2.41 2.07 -1.05 -1.45 116.25 124.01 3k49 h VAL 765 Ca -0.02 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 3k49 h VAL 765 Cb 1.37 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3k49 h VAL 765 CO 0.01 0.01 -0.24 0.58 0.02 0.00 0.00 177.57 177.95 3k49 h VAL 766 N 0.04 1.37 -0.48 2.57 2.07 -1.90 -2.22 116.25 117.70 3k49 h VAL 766 Ca 0.43 -1.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.36 3k49 h VAL 766 Cb 0.73 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 3k49 h VAL 766 CO -0.79 0.44 -0.03 -0.08 0.02 0.00 0.00 177.57 177.13 3k49 h GLU 767 N -0.02 0.87 -0.39 1.57 4.81 -1.70 -2.68 114.58 117.04 3k49 h GLU 767 Ca 0.01 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 3k49 h GLU 767 Cb 0.83 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 3k49 h GLU 767 CO 0.05 0.93 0.21 1.88 -0.73 0.00 0.00 179.01 181.35 3k49 h TYR 768 N 0.73 0.55 -0.20 0.92 0.99 -1.42 -2.39 116.97 116.14 3k49 h TYR 768 Ca 0.13 -0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.90 3k49 h TYR 768 Cb 0.55 -0.17 -0.01 0.00 1.00 0.00 0.00 36.73 38.10 3k49 h TYR 768 CO 0.04 0.43 0.27 0.77 -0.00 0.00 0.00 178.16 179.68 3k49 h SER 769 N 0.50 0.00 -0.29 3.88 0.02 -1.14 0.26 113.55 116.79 3k49 h SER 769 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3k49 h SER 769 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3k49 h SER 769 CO -0.02 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.96 3k49 n LYS 770 N -3.58 2.31 -3.67 3.45 5.02 -0.92 -1.10 118.16 119.67 3k49 n LYS 770 Ca 0.02 -1.96 -0.36 0.00 -2.02 0.00 0.00 58.31 54.00 3k49 n LYS 770 Cb 0.39 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.84 3k49 n LYS 770 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3k49 s HIS 771 N -1.64 3.41 0.20 2.13 2.46 0.86 -4.81 115.29 117.91 3k49 s HIS 771 Ca 0.36 0.39 -0.15 0.00 0.47 0.00 0.00 55.06 56.13 3k49 s HIS 771 Cb 0.21 -2.22 0.20 0.00 -0.13 0.00 0.00 32.58 30.64 3k49 s HIS 771 CO 0.30 0.24 1.63 -0.22 -2.47 0.00 0.00 174.74 174.23 3k49 h LYS 772 N 6.79 -0.02 0.10 2.88 3.64 -1.90 -0.02 116.57 128.05 3k49 h LYS 772 Ca -0.41 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.75 3k49 h LYS 772 Cb 1.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3k49 h LYS 772 CO 0.75 -0.01 -1.11 0.74 -2.27 0.00 0.00 179.45 177.54 3k49 h PHE 773 N -0.02 0.38 0.00 1.91 0.05 -1.90 -3.38 116.94 113.98 3k49 h PHE 773 Ca 0.28 -0.28 -0.04 0.00 3.82 0.00 0.00 57.97 61.75 3k49 h PHE 773 Cb 0.44 -0.02 -0.01 0.00 2.00 0.00 0.00 35.95 38.37 3k49 h PHE 773 CO -0.49 1.43 -0.17 0.00 -0.18 0.00 0.00 178.31 178.90 3k49 h ALA 774 N -0.05 1.04 -0.63 2.45 0.00 -1.61 -2.88 119.26 117.58 3k49 h ALA 774 Ca -0.24 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.55 3k49 h ALA 774 Cb 1.61 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 3k49 h ALA 774 CO 0.05 0.21 0.41 0.66 0.00 0.00 0.00 179.25 180.59 3k49 h SER 775 N 0.00 0.63 -0.01 0.00 4.64 -0.42 -1.21 113.55 117.19 3k49 h SER 775 Ca -0.00 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 3k49 h SER 775 Cb 0.66 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3k49 h SER 775 CO 0.02 0.44 -0.18 0.78 -0.87 0.00 0.00 176.83 177.02 3k49 h ASN 776 N 0.73 0.34 0.42 4.97 2.35 -1.72 -2.49 115.58 120.18 3k49 h ASN 776 Ca 0.25 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.77 3k49 h ASN 776 Cb 0.08 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3k49 h ASN 776 CO -0.07 0.55 -0.58 0.58 -1.65 0.00 0.00 177.43 176.25 3k49 h VAL 777 N 0.32 1.39 -0.44 2.81 2.07 -1.36 -2.48 116.25 118.57 3k49 h VAL 777 Ca 0.06 -1.95 -0.12 0.00 0.82 0.00 0.00 66.70 65.51 3k49 h VAL 777 Cb 0.51 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 3k49 h VAL 777 CO 0.03 0.57 -0.20 0.58 0.02 0.00 0.00 177.57 178.58 3k49 h VAL 778 N 0.13 1.27 -0.59 2.57 2.07 -1.06 -0.96 116.25 119.67 3k49 h VAL 778 Ca -0.00 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 3k49 h VAL 778 Cb 1.06 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 3k49 h VAL 778 CO 0.09 0.45 0.32 -0.33 0.02 0.00 0.00 177.57 178.11 3k49 h GLU 779 N 0.75 0.83 -0.20 1.57 5.08 -1.22 -2.19 114.58 119.19 3k49 h GLU 779 Ca 0.11 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 3k49 h GLU 779 Cb 0.73 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3k49 h GLU 779 CO 0.06 0.64 -0.47 0.87 -1.00 0.00 0.00 179.01 179.11 3k49 h LYS 780 N 0.80 0.51 0.02 2.33 1.79 -1.34 -0.26 116.57 120.42 3k49 h LYS 780 Ca 0.21 -0.29 0.03 0.00 -2.18 0.00 0.00 60.65 58.42 3k49 h LYS 780 Cb 0.05 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.67 3k49 h LYS 780 CO -0.03 0.87 -0.37 0.77 -1.08 0.00 0.00 179.45 179.61 3k49 h SER 781 N 0.41 -1.10 1.50 0.86 0.02 -0.82 0.41 113.55 114.82 3k49 h SER 781 Ca 0.02 0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 3k49 h SER 781 Cb 0.97 0.43 -0.00 0.00 0.14 0.00 0.00 62.40 63.94 3k49 h SER 781 CO 0.09 -0.43 -0.11 0.16 -1.14 0.00 0.00 176.83 175.40 3k49 h ILE 782 N -0.54 0.22 0.14 3.27 3.07 -1.30 0.11 117.51 122.48 3k49 h ILE 782 Ca 0.05 -1.07 -0.22 0.00 1.55 0.00 0.00 64.86 65.17 3k49 h ILE 782 Cb 0.61 1.90 0.02 0.00 -0.27 0.00 0.00 36.82 39.08 3k49 h ILE 782 CO -0.28 0.11 -0.94 0.25 -1.05 0.00 0.00 178.15 176.24 3k49 h LEU 783 N 0.00 0.58 -1.44 0.16 5.85 -0.56 -3.39 115.31 116.51 3k49 h LEU 783 Ca -0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 3k49 h LEU 783 Cb 0.89 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3k49 h LEU 783 CO 0.01 1.44 -0.02 -1.22 -0.34 0.00 0.00 178.44 178.32 3k49 n TYR 784 N -4.04 0.00 -2.31 1.25 4.01 0.14 -5.01 117.16 111.20 3k49 n TYR 784 Ca -0.14 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.27 3k49 n TYR 784 Cb 0.87 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.88 3k49 n TYR 784 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3k49 s GLY 785 N -1.11 2.33 1.23 2.72 0.00 0.39 -4.91 107.32 107.97 3k49 s GLY 785 Ca 0.15 0.51 -0.16 0.00 0.00 0.00 0.00 44.72 45.22 3k49 s GLY 785 CO 0.17 0.83 1.01 -1.35 0.00 0.00 0.00 173.10 173.76 3k49 s SER 786 N -2.36 0.51 0.15 1.64 1.04 -1.26 -4.62 113.70 108.81 3k49 s SER 786 Ca 0.66 1.26 -0.25 0.00 0.48 0.00 0.00 55.95 58.09 3k49 s SER 786 Cb -0.16 -1.92 0.01 0.00 0.10 0.00 0.00 66.02 64.05 3k49 s SER 786 CO 0.28 -4.45 1.60 0.50 0.98 0.00 0.00 173.24 172.14 3k49 h LYS 787 N -2.80 -0.32 0.00 4.02 1.63 -1.99 -0.69 116.57 116.43 3k49 h LYS 787 Ca -0.57 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.25 3k49 h LYS 787 Cb 1.34 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.04 3k49 h LYS 787 CO 0.46 -0.21 -0.00 -0.97 -3.45 0.00 0.00 179.45 175.27 3k49 h ASN 788 N -0.33 -0.00 -0.90 4.20 -0.73 -1.99 -1.86 115.58 113.96 3k49 h ASN 788 Ca 0.13 -0.16 0.13 0.00 1.87 0.00 0.00 56.30 58.28 3k49 h ASN 788 Cb 0.55 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.07 3k49 h ASN 788 CO -0.47 0.16 0.58 1.56 -0.37 0.00 0.00 177.43 178.89 3k49 h GLN 789 N -0.16 0.73 -0.21 6.67 4.20 -1.84 0.10 115.11 124.59 3k49 h GLN 789 Ca -0.00 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.51 3k49 h GLN 789 Cb 0.16 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3k49 h GLN 789 CO 0.00 0.48 -0.47 -0.22 -0.67 0.00 0.00 178.83 177.95 3k49 h LYS 790 N 0.75 0.69 -0.32 1.46 3.64 -0.79 -2.75 116.57 119.24 3k49 h LYS 790 Ca 0.45 -0.46 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 3k49 h LYS 790 Cb 0.65 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 3k49 h LYS 790 CO -0.21 1.08 -0.26 -0.44 -2.27 0.00 0.00 179.45 177.36 3k49 h ASP 791 N 0.40 0.65 -0.99 4.20 3.32 -0.60 -1.29 116.42 122.10 3k49 h ASP 791 Ca 0.00 -0.24 0.15 0.00 0.02 0.00 0.00 57.03 56.96 3k49 h ASP 791 Cb 1.08 -0.18 -0.09 0.00 0.22 0.00 0.00 39.33 40.36 3k49 h ASP 791 CO 0.10 0.88 0.62 0.25 -1.72 0.00 0.00 179.24 179.38 3k49 h LEU 792 N 0.56 0.85 0.25 1.55 5.85 -0.70 0.35 115.31 124.01 3k49 h LEU 792 Ca 0.08 0.06 -0.34 0.00 0.84 0.00 0.00 57.88 58.52 3k49 h LEU 792 Cb 0.73 -0.10 0.04 0.00 0.37 0.00 0.00 40.66 41.69 3k49 h LEU 792 CO 0.06 0.40 -1.49 0.40 -0.34 0.00 0.00 178.44 177.47 3k49 h ILE 793 N 0.88 1.28 0.00 4.05 2.04 -1.14 -3.35 117.51 121.27 3k49 h ILE 793 Ca 0.52 -2.71 -0.14 0.00 1.00 0.00 0.00 64.86 63.52 3k49 h ILE 793 Cb 0.65 3.03 -0.02 0.00 -0.74 0.00 0.00 36.82 39.75 3k49 h ILE 793 CO -0.29 0.82 -0.68 0.40 0.00 0.00 0.00 178.15 178.40 3k49 h ILE 794 N 0.14 1.43 0.00 -0.67 2.04 -0.95 -2.77 117.51 116.74 3k49 h ILE 794 Ca -0.26 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.24 3k49 h ILE 794 Cb 2.17 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 40.54 3k49 h ILE 794 CO 0.27 0.66 0.00 -1.54 0.00 0.00 0.00 178.15 177.55 3k49 n SER 795 N -3.65 0.00 0.08 1.72 3.41 0.09 -1.06 113.62 114.19 3k49 n SER 795 Ca -0.01 0.10 0.09 0.00 -0.26 0.00 0.00 58.87 58.79 3k49 n SER 795 Cb 0.68 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 3k49 n SER 795 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3k49 n LYS 796 N -1.23 0.62 -0.01 4.33 4.76 -1.04 -4.45 118.16 121.13 3k49 n LYS 796 Ca 0.04 0.10 0.01 0.00 -2.87 0.00 0.00 58.31 55.58 3k49 n LYS 796 Cb 0.05 -1.78 -0.05 0.00 -1.84 0.00 0.00 35.03 31.41 3k49 n LYS 796 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3k49 n ILE 797 N -2.66 0.15 -1.80 -0.18 5.41 -0.23 -4.90 119.36 115.15 3k49 n ILE 797 Ca -0.03 -0.18 -0.42 0.00 1.00 0.00 0.00 62.75 63.12 3k49 n ILE 797 Cb 0.61 -0.09 -0.03 0.00 -0.71 0.00 0.00 39.64 39.41 3k49 n ILE 797 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3k49 s LEU 798 N -3.81 4.39 0.30 1.39 1.43 -0.29 -4.37 118.68 117.71 3k49 s LEU 798 Ca -0.03 2.64 -0.30 0.00 -1.03 0.00 0.00 54.13 55.41 3k49 s LEU 798 Cb 0.03 -3.56 -0.12 0.00 0.03 0.00 0.00 46.19 42.57 3k49 s LEU 798 CO 0.26 -0.96 1.58 -0.81 0.23 0.00 0.00 176.35 176.64 3k49 n PRO 799 N 5.79 2.66 -0.11 1.29 -0.04 -1.26 -4.89 135.00 138.44 3k49 n PRO 799 Ca 0.17 0.94 0.17 0.00 -0.04 0.00 0.00 63.50 64.74 3k49 n PRO 799 Cb 0.39 -2.71 0.56 0.00 -0.04 0.00 0.00 33.50 31.70 3k49 n PRO 799 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k49 h ARG 800 N 4.60 0.28 -3.11 0.54 3.08 -1.94 -3.46 114.38 114.38 3k49 h ARG 800 Ca -0.47 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.52 3k49 h ARG 800 Cb 1.23 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 3k49 h ARG 800 CO 0.78 0.18 0.23 0.16 -1.07 0.00 0.00 179.97 180.25 3k49 s ASP 801 N -6.04 0.10 0.62 7.04 1.47 -1.26 -5.02 116.67 113.58 3k49 s ASP 801 Ca -0.07 -1.18 0.32 0.00 1.18 0.00 0.00 52.55 52.80 3k49 s ASP 801 Cb 0.21 0.84 1.81 0.00 -0.34 0.00 0.00 42.92 45.43 3k49 s ASP 801 CO 0.76 -1.66 2.11 0.11 0.68 0.00 0.00 175.17 177.17 3k49 h LYS 802 N 2.01 0.00 0.00 2.11 1.79 -1.99 -2.03 116.57 118.46 3k49 h LYS 802 Ca -0.32 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.06 3k49 h LYS 802 Cb 1.25 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 3k49 h LYS 802 CO 0.41 0.00 -0.57 -0.97 -1.08 0.00 0.00 179.45 177.24 3k49 h ASN 803 N 0.00 0.00 -0.80 0.86 -1.24 -1.96 -3.02 115.58 109.42 3k49 h ASN 803 Ca 0.05 -0.50 0.17 0.00 0.71 0.00 0.00 56.30 56.74 3k49 h ASN 803 Cb 0.45 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 39.39 3k49 h ASN 803 CO -0.00 1.07 0.29 0.45 -1.29 0.00 0.00 177.43 177.95 3k49 h HIS 804 N -1.00 0.48 -0.41 0.67 3.86 -1.80 -1.02 115.15 115.93 3k49 h HIS 804 Ca -0.13 0.04 0.05 0.00 -1.16 0.00 0.00 60.37 59.17 3k49 h HIS 804 Cb 0.89 -0.09 -0.05 0.00 1.06 0.00 0.00 27.41 29.23 3k49 h HIS 804 CO 0.09 -0.02 0.13 0.00 0.86 0.00 0.00 177.93 178.98 3k49 h ALA 805 N 1.63 0.47 -0.09 2.45 0.00 -1.48 -2.17 119.26 120.07 3k49 h ALA 805 Ca 0.46 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.34 3k49 h ALA 805 Cb 0.80 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3k49 h ALA 805 CO -0.49 -0.26 -0.37 -0.07 0.00 0.00 0.00 179.25 178.06 3k49 h LEU 806 N 0.28 0.19 -6.72 0.00 3.38 -1.09 -3.37 115.31 107.99 3k49 h LEU 806 Ca 0.19 -0.07 -0.60 0.00 0.09 0.00 0.00 57.88 57.48 3k49 h LEU 806 Cb 0.19 -0.05 -0.40 0.00 0.09 0.00 0.00 40.66 40.48 3k49 h LEU 806 CO -0.21 0.56 -0.77 -3.20 0.09 0.00 0.00 178.44 174.91 3k49 n ASN 807 N -4.06 1.35 -4.90 -0.43 5.15 -0.56 -4.94 115.26 106.85 3k49 n ASN 807 Ca -0.01 -2.82 -0.28 0.00 -0.60 0.00 0.00 54.58 50.87 3k49 n ASN 807 Cb 0.44 -0.66 -0.01 0.00 -0.53 0.00 0.00 39.78 39.03 3k49 n ASN 807 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3k49 s LEU 808 N -0.77 3.73 0.21 1.20 1.43 -0.91 -4.69 118.68 118.88 3k49 s LEU 808 Ca 0.29 0.90 0.01 0.00 -1.03 0.00 0.00 54.13 54.29 3k49 s LEU 808 Cb 0.00 -3.82 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 3k49 s LEU 808 CO -0.18 -0.49 0.38 -1.61 0.23 0.00 0.00 176.35 174.68 3k49 s GLU 809 N -4.46 3.49 0.00 1.70 2.02 -1.26 -4.97 118.70 115.22 3k49 s GLU 809 Ca 0.47 -0.44 0.11 0.00 0.02 0.00 0.00 54.97 55.14 3k49 s GLU 809 Cb -0.10 -2.85 0.66 0.00 0.10 0.00 0.00 34.13 31.94 3k49 s GLU 809 CO 0.41 0.40 1.08 -0.25 0.02 0.00 0.00 175.26 176.92 3k49 n ASP 810 N -0.85 0.00 -0.02 -0.19 8.00 -1.26 -1.42 116.55 120.82 3k49 n ASP 810 Ca -0.06 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 54.97 3k49 n ASP 810 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 3k49 n ASP 810 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3k49 n ASP 811 N -0.92 1.11 -4.77 -2.24 3.85 -1.26 -4.50 116.55 107.82 3k49 n ASP 811 Ca 0.08 -1.10 -0.39 0.00 -0.71 0.00 0.00 54.79 52.67 3k49 n ASP 811 Cb 0.04 -0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 39.80 3k49 n ASP 811 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3k49 s SER 812 N -0.11 6.40 0.17 -1.12 1.04 -0.51 -4.83 113.70 114.74 3k49 s SER 812 Ca 0.00 2.59 -0.28 0.00 0.48 0.00 0.00 55.95 58.74 3k49 s SER 812 Cb 0.00 -2.63 -0.01 0.00 0.10 0.00 0.00 66.02 63.48 3k49 s SER 812 CO 0.00 -0.78 1.54 -0.65 0.98 0.00 0.00 173.24 174.34 3k49 h PRO 813 N 2.74 -0.01 -0.68 4.02 0.11 -1.89 -1.37 132.00 134.93 3k49 h PRO 813 Ca -0.49 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.73 3k49 h PRO 813 Cb 1.24 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.23 3k49 h PRO 813 CO 0.63 -0.00 -0.34 0.52 -0.21 0.00 0.00 178.00 178.60 3k49 h MET 814 N -0.01 -0.12 -0.30 1.05 2.86 -1.93 -0.22 114.93 116.27 3k49 h MET 814 Ca 0.19 0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.67 3k49 h MET 814 Cb 0.45 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 3k49 h MET 814 CO -0.94 -0.08 -0.48 0.82 1.06 0.00 0.00 176.91 177.29 3k49 h ILE 815 N -0.12 1.28 -0.20 -1.22 1.08 -1.56 0.19 117.51 116.96 3k49 h ILE 815 Ca 0.26 -1.67 0.00 0.00 -0.39 0.00 0.00 64.86 63.06 3k49 h ILE 815 Cb 0.56 1.56 -0.01 0.00 -3.07 0.00 0.00 36.82 35.86 3k49 h ILE 815 CO -0.74 0.54 0.13 -0.07 -0.69 0.00 0.00 178.15 177.32 3k49 h LEU 816 N 0.64 0.22 0.02 1.44 3.38 -0.83 -2.68 115.31 117.51 3k49 h LEU 816 Ca 0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3k49 h LEU 816 Cb 1.06 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3k49 h LEU 816 CO 0.11 0.16 -0.15 0.24 0.09 0.00 0.00 178.44 178.89 3k49 h MET 817 N 0.26 0.05 -0.83 1.13 2.86 -0.12 -3.20 114.93 115.08 3k49 h MET 817 Ca 0.07 -0.09 0.19 0.00 -2.06 0.00 0.00 59.70 57.82 3k49 h MET 817 Cb -0.02 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.62 3k49 h MET 817 CO -0.02 1.04 0.56 0.82 1.06 0.00 0.00 176.91 180.38 3k49 h ILE 818 N -0.89 0.70 -0.00 -1.22 2.04 -0.60 -1.30 117.51 116.24 3k49 h ILE 818 Ca -0.03 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3k49 h ILE 818 Cb 1.11 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3k49 h ILE 818 CO 0.02 0.06 -0.28 0.29 0.00 0.00 0.00 178.15 178.24 3k49 n LYS 819 N -4.46 0.32 -3.54 2.37 5.02 -1.02 -4.62 118.16 112.23 3k49 n LYS 819 Ca 0.17 -0.15 -0.36 0.00 -2.02 0.00 0.00 58.31 55.95 3k49 n LYS 819 Cb 0.67 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.13 3k49 n LYS 819 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3k49 s ASP 820 N -2.78 6.71 0.36 4.39 2.15 -0.51 -5.00 116.67 121.99 3k49 s ASP 820 Ca 0.18 0.86 0.06 0.00 0.43 0.00 0.00 52.55 54.09 3k49 s ASP 820 Cb 0.19 -2.21 0.75 0.00 -0.30 0.00 0.00 42.92 41.35 3k49 s ASP 820 CO 0.59 0.24 1.94 0.06 -0.17 0.00 0.00 175.17 177.82 3k49 h GLN 821 N 4.13 0.73 0.05 4.34 3.07 -1.90 -2.53 115.11 123.00 3k49 h GLN 821 Ca -0.50 -0.04 -0.38 0.00 0.09 0.00 0.00 58.65 57.81 3k49 h GLN 821 Cb 1.20 -0.17 -0.05 0.00 0.08 0.00 0.00 27.48 28.55 3k49 h GLN 821 CO 0.64 0.49 -2.30 1.19 0.09 0.00 0.00 178.83 178.94 3k49 n PHE 822 N -4.49 0.47 0.22 0.06 3.72 -1.26 -4.48 117.46 111.69 3k49 n PHE 822 Ca 0.12 0.10 0.05 0.00 -0.05 0.00 0.00 57.45 57.67 3k49 n PHE 822 Cb 0.27 -1.06 0.50 0.00 -0.94 0.00 0.00 39.48 38.25 3k49 n PHE 822 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k49 h ALA 823 N 0.00 1.69 -0.46 4.37 0.00 -1.04 -2.54 119.26 121.29 3k49 h ALA 823 Ca -0.52 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.30 3k49 h ALA 823 Cb 1.94 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 3k49 h ALA 823 CO -0.03 0.23 0.31 -2.95 0.00 0.00 0.00 179.25 176.81 3k49 h ASN 824 N 0.02 0.25 -0.48 0.00 7.08 -1.16 -1.25 115.58 120.03 3k49 h ASN 824 Ca 0.00 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 53.09 3k49 h ASN 824 Cb 0.32 -0.05 -0.01 0.00 -2.08 0.00 0.00 38.32 36.49 3k49 h ASN 824 CO 0.02 0.16 -0.21 1.88 -2.08 0.00 0.00 177.43 177.20 3k49 h TYR 825 N 0.28 1.14 0.00 4.14 -1.99 -1.72 -0.75 116.97 118.08 3k49 h TYR 825 Ca 0.21 -0.28 -0.05 0.00 2.00 0.00 0.00 58.73 60.61 3k49 h TYR 825 Cb 0.45 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.91 3k49 h TYR 825 CO -0.00 1.11 -0.24 0.28 -0.00 0.00 0.00 178.16 179.30 3k49 h VAL 826 N 0.85 1.12 0.10 -2.88 2.07 -1.36 0.95 116.25 117.10 3k49 h VAL 826 Ca 0.11 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3k49 h VAL 826 Cb 0.80 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3k49 h VAL 826 CO 0.07 0.24 -0.05 0.40 0.02 0.00 0.00 177.57 178.25 3k49 h ILE 827 N 0.00 1.14 -0.55 4.57 1.08 -0.91 -1.55 117.51 121.28 3k49 h ILE 827 Ca -0.00 -1.15 0.11 0.00 -0.39 0.00 0.00 64.86 63.43 3k49 h ILE 827 Cb 0.44 1.84 -0.10 0.00 -3.07 0.00 0.00 36.82 35.93 3k49 h ILE 827 CO 0.03 0.27 -0.14 1.56 -0.69 0.00 0.00 178.15 179.18 3k49 h GLN 828 N -0.69 -0.01 -0.61 2.37 4.20 -0.94 -0.89 115.11 118.55 3k49 h GLN 828 Ca -0.01 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.78 3k49 h GLN 828 Cb 0.54 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.26 3k49 h GLN 828 CO 0.02 -0.00 0.27 -0.22 -0.67 0.00 0.00 178.83 178.23 3k49 h LYS 829 N -0.01 0.48 -0.84 1.46 1.63 -0.81 -2.13 116.57 116.35 3k49 h LYS 829 Ca 0.26 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 3k49 h LYS 829 Cb 0.41 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.89 3k49 h LYS 829 CO -0.57 0.31 0.54 -0.07 -3.45 0.00 0.00 179.45 176.22 3k49 h LEU 830 N 0.49 0.98 -0.65 5.20 3.38 -0.14 -1.96 115.31 122.62 3k49 h LEU 830 Ca 0.30 -0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.36 3k49 h LEU 830 Cb 0.30 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 40.69 3k49 h LEU 830 CO -0.25 0.73 -0.06 0.58 0.09 0.00 0.00 178.44 179.53 3k49 h VAL 831 N 1.15 0.42 -0.10 1.22 2.07 -0.55 -0.92 116.25 119.54 3k49 h VAL 831 Ca 0.31 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.77 3k49 h VAL 831 Cb -0.10 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3k49 h VAL 831 CO -0.06 0.01 -0.06 0.78 0.02 0.00 0.00 177.57 178.26 3k49 h ASN 832 N 0.07 0.22 -0.14 0.57 2.35 -1.21 -3.25 115.58 114.19 3k49 h ASN 832 Ca 0.33 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3k49 h ASN 832 Cb 0.54 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3k49 h ASN 832 CO -0.60 0.60 0.00 1.33 -1.65 0.00 0.00 177.43 177.11 3k49 n VAL 833 N -4.72 0.18 -2.82 2.81 0.24 -0.80 -4.91 118.33 108.31 3k49 n VAL 833 Ca -0.07 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.34 61.58 3k49 n VAL 833 Cb 0.28 0.15 -0.04 0.00 -1.47 0.00 0.00 33.84 32.75 3k49 n VAL 833 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3k49 s SER 834 N -1.44 7.38 0.61 -1.34 0.01 -0.37 -5.05 113.70 113.49 3k49 s SER 834 Ca 0.27 1.65 -0.13 0.00 1.31 0.00 0.00 55.95 59.05 3k49 s SER 834 Cb 0.14 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 3k49 s SER 834 CO 0.21 -0.06 1.03 -0.70 0.41 0.00 0.00 173.24 174.13 3k49 s GLU 835 N 0.11 3.48 0.34 12.44 2.12 -1.26 -4.62 118.70 131.30 3k49 s GLU 835 Ca 0.45 0.94 0.13 0.00 0.36 0.00 0.00 54.97 56.84 3k49 s GLU 835 Cb -0.22 -2.06 1.06 0.00 0.26 0.00 0.00 34.13 33.17 3k49 s GLU 835 CO 0.27 -0.67 1.61 0.78 -0.54 0.00 0.00 175.26 176.72 3k49 h GLY 836 N 0.06 1.88 1.54 -1.50 0.00 -1.97 0.40 103.07 103.48 3k49 h GLY 836 Ca -0.45 -0.09 -0.28 0.00 0.00 0.00 0.00 47.33 46.50 3k49 h GLY 836 CO 0.60 -0.60 -1.31 -2.09 0.00 0.00 0.00 176.54 173.14 3k49 h GLU 837 N 0.12 0.28 0.00 4.80 4.57 -2.00 -2.48 114.58 119.87 3k49 h GLU 837 Ca 0.72 -0.47 -0.07 0.00 -1.18 0.00 0.00 59.36 58.36 3k49 h GLU 837 Cb 1.72 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 30.48 3k49 h GLU 837 CO -0.74 1.21 -0.38 0.78 -1.18 0.00 0.00 179.01 178.69 3k49 h GLY 838 N 1.57 0.01 -0.60 1.92 0.00 -1.79 -3.33 103.07 100.84 3k49 h GLY 838 Ca -0.16 -0.02 0.32 0.00 0.00 0.00 0.00 47.33 47.47 3k49 h GLY 838 CO 0.20 0.02 0.49 1.70 0.00 0.00 0.00 176.54 178.95 3k49 h LYS 839 N -0.98 0.24 -0.12 4.80 3.64 -0.36 1.00 116.57 124.78 3k49 h LYS 839 Ca -0.10 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3k49 h LYS 839 Cb 1.10 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.81 3k49 h LYS 839 CO -0.06 0.16 -0.25 -0.22 -2.27 0.00 0.00 179.45 176.81 3k49 h LYS 840 N 0.24 -0.31 -0.08 1.90 3.64 -1.55 -2.13 116.57 118.29 3k49 h LYS 840 Ca 0.72 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 60.00 3k49 h LYS 840 Cb 1.65 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.53 3k49 h LYS 840 CO -0.65 -0.20 -0.47 -0.07 -2.27 0.00 0.00 179.45 175.78 3k49 h LEU 841 N -0.32 0.22 -0.32 5.20 3.38 -0.95 -3.14 115.31 119.38 3k49 h LEU 841 Ca 0.10 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3k49 h LEU 841 Cb 0.46 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3k49 h LEU 841 CO -0.31 0.66 -0.19 0.40 0.09 0.00 0.00 178.44 179.09 3k49 h ILE 842 N 0.16 1.29 0.33 1.22 2.04 -0.99 -2.73 117.51 118.83 3k49 h ILE 842 Ca 0.01 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 3k49 h ILE 842 Cb 0.90 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 3k49 h ILE 842 CO 0.07 0.43 -0.16 0.58 0.00 0.00 0.00 178.15 179.07 3k49 h VAL 843 N 0.47 0.70 -1.00 1.67 2.07 -1.38 -2.42 116.25 116.36 3k49 h VAL 843 Ca 0.07 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.41 3k49 h VAL 843 Cb 0.74 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 3k49 h VAL 843 CO 0.05 0.05 0.64 0.40 0.02 0.00 0.00 177.57 178.74 3k49 h ILE 844 N -0.58 1.05 -0.48 4.57 2.04 -1.60 0.09 117.51 122.60 3k49 h ILE 844 Ca -0.04 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3k49 h ILE 844 Cb 0.42 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 3k49 h ILE 844 CO 0.07 0.21 0.32 0.00 0.00 0.00 0.00 178.15 178.75 3k49 h ALA 845 N 1.48 0.61 -0.13 1.87 0.00 -1.39 -0.59 119.26 121.10 3k49 h ALA 845 Ca 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3k49 h ALA 845 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3k49 h ALA 845 CO -0.19 0.06 0.05 0.82 0.00 0.00 0.00 179.25 179.99 3k49 h ILE 846 N 0.65 1.17 -0.68 0.00 2.04 -0.75 -1.72 117.51 118.23 3k49 h ILE 846 Ca 0.18 -0.51 0.11 0.00 1.00 0.00 0.00 64.86 65.64 3k49 h ILE 846 Cb -0.07 1.25 -0.08 0.00 -0.74 0.00 0.00 36.82 37.18 3k49 h ILE 846 CO -0.04 0.15 0.27 0.03 0.00 0.00 0.00 178.15 178.57 3k49 h ARG 847 N 0.05 0.44 -0.74 2.37 3.08 -0.86 -1.56 114.38 117.15 3k49 h ARG 847 Ca 0.04 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.11 3k49 h ARG 847 Cb 0.20 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 3k49 h ARG 847 CO -0.00 0.29 0.46 0.00 -1.07 0.00 0.00 179.97 179.64 3k49 h ALA 848 N 1.47 0.98 -0.18 0.04 0.00 -0.75 -2.73 119.26 118.09 3k49 h ALA 848 Ca 0.35 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3k49 h ALA 848 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3k49 h ALA 848 CO -0.34 0.23 -0.03 -0.92 0.00 0.00 0.00 179.25 178.19 3k49 h TYR 849 N 0.88 0.26 -0.41 0.00 3.20 -0.37 -2.36 116.97 118.18 3k49 h TYR 849 Ca 0.30 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.01 3k49 h TYR 849 Cb 0.06 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3k49 h TYR 849 CO -0.04 0.30 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.38 3k49 h LEU 850 N 0.26 1.00 0.44 2.82 3.38 -1.20 -3.18 115.31 118.82 3k49 h LEU 850 Ca 0.06 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3k49 h LEU 850 Cb 0.23 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3k49 h LEU 850 CO 0.01 1.23 -0.38 0.44 0.09 0.00 0.00 178.44 179.83 3k49 h ASP 851 N 0.79 -1.03 -0.69 -0.43 3.32 -1.31 -0.43 116.42 116.63 3k49 h ASP 851 Ca 0.08 0.08 0.13 0.00 0.02 0.00 0.00 57.03 57.34 3k49 h ASP 851 Cb 0.92 0.33 -0.13 0.00 0.22 0.00 0.00 39.33 40.67 3k49 h ASP 851 CO 0.09 -0.53 -0.22 0.50 -1.72 0.00 0.00 179.24 177.36 3k49 h LYS 852 N -0.81 -0.04 -0.17 3.56 3.64 -1.61 0.16 116.57 121.31 3k49 h LYS 852 Ca -0.06 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 3k49 h LYS 852 Cb 0.68 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3k49 h LYS 852 CO -0.02 -0.03 -0.27 1.25 -2.27 0.00 0.00 179.45 178.11 3k49 h LEU 853 N -0.04 0.33 0.11 5.20 5.85 -1.51 -2.78 115.31 122.47 3k49 h LEU 853 Ca 0.32 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3k49 h LEU 853 Cb 0.53 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3k49 h LEU 853 CO -0.73 0.60 -0.06 -1.13 -0.34 0.00 0.00 178.44 176.79 3k49 h ASN 854 N 0.29 -0.13 0.93 1.25 -0.73 0.99 -3.26 115.58 114.92 3k49 h ASN 854 Ca 0.04 -0.27 0.00 0.00 1.87 0.00 0.00 56.30 57.94 3k49 h ASN 854 Cb 0.64 0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.26 3k49 h ASN 854 CO 0.05 0.21 0.00 1.17 -0.37 0.00 0.00 177.43 178.49 3k49 n LYS 855 N -5.01 0.03 0.00 6.67 4.81 -0.20 -2.80 118.16 121.65 3k49 n LYS 855 Ca -0.09 0.08 0.13 0.00 -0.87 0.00 0.00 58.31 57.56 3k49 n LYS 855 Cb 0.21 -1.54 0.32 0.00 0.02 0.00 0.00 35.03 34.05 3k49 n LYS 855 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3k49 n SER 856 N -1.58 1.42 -1.46 3.14 3.41 -1.05 -5.10 113.62 112.40 3k49 n SER 856 Ca 0.06 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 3k49 n SER 856 Cb 0.31 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3k49 n SER 856 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3k49 n ASN 857 N -0.25 -5.56 -0.11 4.04 3.02 -1.12 -5.09 115.26 110.19 3k49 n ASN 857 Ca 0.13 0.84 -0.24 0.00 -0.03 0.00 0.00 54.58 55.28 3k49 n ASN 857 Cb 0.39 -3.80 -0.11 0.00 -0.61 0.00 0.00 39.78 35.65 3k49 n ASN 857 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k49 n GLY 860 N -0.84 -0.73 0.00 7.41 0.00 -1.26 -5.13 105.19 104.63 3k49 n GLY 860 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3k49 n GLY 860 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3k49 n ASN 861 N -4.33 0.00 -4.73 1.61 2.85 -1.26 -5.11 115.26 104.29 3k49 n ASN 861 Ca -0.38 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 53.68 3k49 n ASN 861 Cb 0.75 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.74 3k49 n ASN 861 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 3k49 s ARG 862 N 3.65 4.35 0.72 1.20 6.06 -1.26 -5.01 118.95 128.66 3k49 s ARG 862 Ca 0.00 2.10 -0.02 0.00 -2.50 0.00 0.00 55.73 55.31 3k49 s ARG 862 Cb 0.00 -3.20 0.12 0.00 0.06 0.00 0.00 34.95 31.94 3k49 s ARG 862 CO 0.00 -0.34 1.00 -3.38 -2.50 0.00 0.00 175.30 170.09 3k49 s HIS 863 N 0.39 1.76 0.59 5.12 -3.43 -1.26 -5.06 115.29 113.40 3k49 s HIS 863 Ca 0.59 -0.17 -0.17 0.00 -0.80 0.00 0.00 55.06 54.51 3k49 s HIS 863 Cb -0.38 -3.07 -0.04 0.00 -1.43 0.00 0.00 32.58 27.67 3k49 s HIS 863 CO 0.37 -1.69 1.09 -0.51 -2.00 0.00 0.00 174.74 171.99 3k49 s LEU 864 N -5.17 3.58 0.38 5.38 1.43 -1.26 -4.89 118.68 118.13 3k49 s LEU 864 Ca 0.66 1.99 0.16 0.00 -1.03 0.00 0.00 54.13 55.91 3k49 s LEU 864 Cb -0.06 -4.56 0.76 0.00 0.03 0.00 0.00 46.19 42.37 3k49 s LEU 864 CO 0.44 -1.28 1.81 0.00 0.23 0.00 0.00 176.35 177.55 3k49 h ALA 865 N 0.68 1.22 -0.19 4.21 0.00 -1.98 -1.44 119.26 121.76 3k49 h ALA 865 Ca -0.48 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 53.93 3k49 h ALA 865 Cb 1.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3k49 h ALA 865 CO 0.56 0.46 -0.55 0.66 0.00 0.00 0.00 179.25 180.39 3k49 h SER 866 N 0.00 0.62 -0.14 0.00 4.64 -1.97 -0.22 113.55 116.49 3k49 h SER 866 Ca -0.00 -0.33 -0.23 0.00 -0.47 0.00 0.00 61.79 60.76 3k49 h SER 866 Cb 0.73 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3k49 h SER 866 CO 0.05 1.04 -0.81 0.58 -0.87 0.00 0.00 176.83 176.82 3k49 h VAL 867 N 0.43 1.27 -0.91 0.95 2.07 -1.86 -2.29 116.25 115.91 3k49 h VAL 867 Ca 0.01 -2.00 0.03 0.00 0.82 0.00 0.00 66.70 65.56 3k49 h VAL 867 Cb 1.09 2.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.83 3k49 h VAL 867 CO 0.10 0.63 0.60 -0.08 0.02 0.00 0.00 177.57 178.84 3k49 h GLU 868 N 0.53 1.12 -0.11 1.57 4.57 -1.14 0.25 114.58 121.37 3k49 h GLU 868 Ca -0.06 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.01 3k49 h GLU 868 Cb 1.44 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 29.78 3k49 h GLU 868 CO 0.17 0.74 -0.11 -0.22 -1.18 0.00 0.00 179.01 178.41 3k49 h LYS 869 N 1.16 0.27 -0.60 1.92 1.63 -1.02 -2.70 116.57 117.23 3k49 h LYS 869 Ca 0.35 -0.14 -0.04 0.00 -0.85 0.00 0.00 60.65 59.97 3k49 h LYS 869 Cb -0.02 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 3k49 h LYS 869 CO -0.10 0.68 0.19 -0.07 -3.45 0.00 0.00 179.45 176.70 3k49 h LEU 870 N -0.14 0.83 0.39 5.20 3.38 -1.15 -2.74 115.31 121.09 3k49 h LEU 870 Ca 0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3k49 h LEU 870 Cb 0.63 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3k49 h LEU 870 CO 0.03 0.77 -0.31 0.00 0.09 0.00 0.00 178.44 179.02 3k49 h ALA 871 N 1.34 -1.06 -0.09 1.53 0.00 -0.45 -2.69 119.26 117.85 3k49 h ALA 871 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k49 h ALA 871 Cb 0.24 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3k49 h ALA 871 CO -0.01 -1.06 0.05 0.00 0.00 0.00 0.00 179.25 178.24 3k49 h ALA 872 N -1.33 0.11 0.00 0.00 0.00 -1.51 -2.22 119.26 114.30 3k49 h ALA 872 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3k49 h ALA 872 Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3k49 h ALA 872 CO 0.01 -0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.15 3k49 n LEU 873 N -5.02 0.46 -0.06 0.00 4.77 -1.03 -1.39 117.00 114.73 3k49 n LEU 873 Ca -0.05 0.65 -0.19 0.00 -0.03 0.00 0.00 56.01 56.39 3k49 n LEU 873 Cb 0.04 -0.63 -0.13 0.00 -2.33 0.00 0.00 43.42 40.37 3k49 n LEU 873 CO 0.33 -0.63 -0.12 0.58 -1.33 0.00 0.00 177.39 176.22 3k49 h VAL 874 N 0.00 1.31 0.00 4.08 2.07 -1.09 -3.51 116.25 119.11 3k49 h VAL 874 Ca 0.00 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.20 3k49 h VAL 874 Cb 0.19 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 3k49 h VAL 874 CO 0.00 0.54 0.00 -0.62 0.02 0.00 0.00 177.57 177.51