#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 -0.63 1.43 0.11 -2.05 -2.02 132.00 129.10 3k49 h PRO 516 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3k49 h PRO 516 Cb 0.00 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.02 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 0.27 0.74 -1.33 2.35 3.38 -1.99 0.25 115.31 118.97 3k49 h LEU 517 Ca 0.32 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.27 3k49 h LEU 517 Cb 0.47 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3k49 h LEU 517 CO -0.40 0.55 0.46 -0.07 0.09 0.00 0.00 178.44 179.06 3k49 h LEU 518 N 0.86 0.78 -0.34 1.67 3.38 -1.82 -1.13 115.31 118.70 3k49 h LEU 518 Ca 0.23 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.99 3k49 h LEU 518 Cb -0.08 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3k49 h LEU 518 CO -0.05 0.56 -0.68 -0.33 0.09 0.00 0.00 178.44 178.03 3k49 h GLU 519 N 0.92 0.62 0.00 1.13 5.08 -0.82 -2.16 114.58 119.35 3k49 h GLU 519 Ca 0.26 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3k49 h GLU 519 Cb -0.07 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3k49 h GLU 519 CO -0.06 1.09 0.00 0.94 -1.00 0.00 0.00 179.01 179.98 3k49 n GLN 520 N -3.92 0.19 -0.08 2.33 7.27 0.80 -2.02 117.38 121.96 3k49 n GLN 520 Ca -0.05 0.50 -0.11 0.00 0.07 0.00 0.00 57.00 57.41 3k49 n GLN 520 Cb 0.69 -1.92 -0.07 0.00 2.41 0.00 0.00 30.24 31.35 3k49 n GLN 520 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 3k49 h LEU 521 N 0.00 0.00 -0.11 1.69 5.85 -0.85 -3.38 115.31 118.52 3k49 h LEU 521 Ca 0.00 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 3k49 h LEU 521 Cb 0.26 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 3k49 h LEU 521 CO 0.00 0.98 -0.08 0.08 -0.34 0.00 0.00 178.44 179.08 3k49 h ARG 522 N -1.00 0.25 -0.96 1.25 0.11 -1.32 -2.37 114.38 110.34 3k49 h ARG 522 Ca -0.11 -0.12 0.00 0.00 0.10 0.00 0.00 59.98 59.85 3k49 h ARG 522 Cb 0.76 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 3k49 h ARG 522 CO -0.06 0.63 0.00 0.09 0.10 0.00 0.00 179.97 180.72 3k49 n ASN 523 N -4.67 1.32 0.00 0.08 3.02 -0.86 -3.16 115.26 110.99 3k49 n ASN 523 Ca -0.07 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.61 3k49 n ASN 523 Cb 0.31 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 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 0.14 1.27 -4.56 6.41 2.88 -1.17 -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 0.28 0.12 -0.05 0.00 -0.75 0.00 0.00 64.21 63.81 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 -1.71 4.94 -0.33 -3.46 0.01 -0.90 -5.04 113.70 107.21 3k49 s SER 525 Ca 0.00 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.05 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 -2.83 0.00 -1.20 0.41 0.00 0.00 173.24 169.62 3k49 n SER 532 N 14.50 -1.46 -4.73 2.44 7.64 -1.26 -5.13 113.62 125.61 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 -1.47 0.12 0.00 -1.01 0.00 0.00 64.21 62.33 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 -1.06 3.87 0.80 6.43 2.47 -1.26 -5.08 114.94 121.11 3k49 s ASN 533 Ca 0.00 0.78 -0.11 0.00 0.42 0.00 0.00 52.86 53.95 3k49 s ASN 533 Cb 0.00 -1.23 0.09 0.00 -1.45 0.00 0.00 41.25 38.66 3k49 s ASN 533 CO 0.00 -2.30 1.15 -0.04 -3.72 0.00 0.00 177.10 172.19 3k49 s MET 534 N -5.51 1.84 0.28 0.43 -1.94 -1.26 -5.11 119.30 108.02 3k49 s MET 534 Ca 0.64 -0.10 0.01 0.00 -1.71 0.00 0.00 55.69 54.54 3k49 s MET 534 Cb -0.11 -2.01 -0.03 0.00 2.01 0.00 0.00 34.83 34.69 3k49 s MET 534 CO 0.51 -1.61 0.27 -1.54 -0.01 0.00 0.00 175.02 172.65 3k49 s SER 535 N -4.61 0.88 0.58 3.03 1.04 -1.26 -5.04 113.70 108.31 3k49 s SER 535 Ca 0.63 -1.52 0.27 0.00 0.48 0.00 0.00 55.95 55.81 3k49 s SER 535 Cb -0.10 0.51 1.60 0.00 0.10 0.00 0.00 66.02 68.14 3k49 s SER 535 CO 0.48 -1.03 2.10 -0.07 0.98 0.00 0.00 173.24 175.70 3k49 h LEU 536 N 2.31 0.00 -0.63 2.42 3.38 -1.97 0.18 115.31 121.01 3k49 h LEU 536 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 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 0.43 0.00 0.00 0.07 0.09 0.00 0.00 178.44 179.03 3k49 h LYS 537 N 0.00 0.00 0.00 1.13 2.10 -1.96 -3.01 116.57 114.83 3k49 h LYS 537 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 3k49 h LYS 537 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 3k49 h LYS 537 CO -0.00 0.00 -0.07 -0.25 -2.00 0.00 0.00 179.45 177.13 3k49 n ASP 538 N -2.56 0.72 -0.57 7.07 8.00 0.05 -3.95 116.55 125.31 3k49 n ASP 538 Ca 0.03 0.51 0.06 0.00 0.71 0.00 0.00 54.79 56.10 3k49 n ASP 538 Cb 0.33 -0.66 0.17 0.00 -0.02 0.00 0.00 41.12 40.94 3k49 n ASP 538 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3k49 n ILE 539 N -2.16 1.56 0.32 0.53 -5.35 -1.14 -4.71 119.36 108.41 3k49 n ILE 539 Ca 0.05 -1.46 0.13 0.00 -0.27 0.00 0.00 62.75 61.20 3k49 n ILE 539 Cb 0.42 0.15 0.66 0.00 -1.74 0.00 0.00 39.64 39.13 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 1.42 0.00 -0.14 4.28 3.57 -1.70 0.34 116.94 124.72 3k49 h PHE 540 Ca 0.00 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.28 3k49 h PHE 540 Cb 0.98 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.73 3k49 h PHE 540 CO 0.27 0.00 -0.78 0.78 -2.23 0.00 0.00 178.31 176.34 3k49 h GLY 541 N 0.00 0.81 -4.82 2.40 0.00 -1.92 -3.42 103.07 96.11 3k49 h GLY 541 Ca 0.01 -1.15 -0.41 0.00 0.00 0.00 0.00 47.33 45.78 3k49 h GLY 541 CO -0.00 1.02 -1.02 1.42 0.00 0.00 0.00 176.54 177.96 3k49 n HIS 542 N -3.92 1.92 0.02 5.60 8.25 0.12 -4.89 115.22 122.32 3k49 n HIS 542 Ca -0.07 -2.66 -0.13 0.00 -0.26 0.00 0.00 57.72 54.61 3k49 n HIS 542 Cb 0.75 -0.27 -0.09 0.00 1.12 0.00 0.00 29.99 31.49 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 2.71 -0.05 -0.91 0.41 0.02 -1.81 -1.28 113.55 112.64 3k49 h SER 543 Ca 0.05 -0.38 0.09 0.00 -0.84 0.00 0.00 61.79 60.70 3k49 h SER 543 Cb 1.18 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.66 3k49 h SER 543 CO 0.55 0.36 0.56 0.25 -1.14 0.00 0.00 176.83 177.41 3k49 h LEU 544 N -0.48 0.84 -0.72 5.07 5.85 -1.92 0.23 115.31 124.17 3k49 h LEU 544 Ca -0.01 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3k49 h LEU 544 Cb 0.43 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 3k49 h LEU 544 CO 0.01 0.49 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.44 3k49 h GLU 545 N 0.95 0.00 0.04 1.25 4.81 -1.93 -1.97 114.58 117.73 3k49 h GLU 545 Ca 0.43 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.41 3k49 h GLU 545 Cb 0.33 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.72 3k49 h GLU 545 CO -0.23 0.08 -1.06 0.74 -0.73 0.00 0.00 179.01 177.82 3k49 h PHE 546 N 0.00 0.71 -0.08 0.92 -1.00 0.31 -3.29 116.94 114.50 3k49 h PHE 546 Ca -0.00 -0.42 -0.12 0.00 2.81 0.00 0.00 57.97 60.25 3k49 h PHE 546 Cb 0.81 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 40.29 3k49 h PHE 546 CO 0.00 1.26 -0.48 0.00 -1.61 0.00 0.00 178.31 177.48 3k49 n LYS 548 N -3.97 1.41 -4.51 0.00 5.02 -0.77 -2.37 118.16 112.98 3k49 n LYS 548 Ca -0.02 -0.60 -0.34 0.00 -2.02 0.00 0.00 58.31 55.33 3k49 n LYS 548 Cb 0.52 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 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 -1.95 4.87 0.11 4.39 2.15 -1.11 -4.76 116.67 120.37 3k49 s ASP 549 Ca 0.40 0.02 -0.23 0.00 0.43 0.00 0.00 52.55 53.17 3k49 s ASP 549 Cb 0.21 -1.37 -0.09 0.00 -0.30 0.00 0.00 42.92 41.37 3k49 s ASP 549 CO 0.34 0.34 1.70 -0.61 -0.17 0.00 0.00 175.17 176.76 3k49 h GLN 550 N 5.45 -0.13 -0.07 4.34 4.15 -1.86 0.15 115.11 127.13 3k49 h GLN 550 Ca -0.47 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 58.93 3k49 h GLN 550 Cb 1.18 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.90 3k49 h GLN 550 CO 0.55 -0.09 -0.10 0.45 -1.93 0.00 0.00 178.83 177.71 3k49 h HIS 551 N -0.14 0.24 -0.71 3.99 3.86 -1.96 -1.91 115.15 118.53 3k49 h HIS 551 Ca 0.04 -0.08 0.15 0.00 -1.16 0.00 0.00 60.37 59.32 3k49 h HIS 551 Cb 0.19 -0.05 -0.11 0.00 1.06 0.00 0.00 27.41 28.50 3k49 h HIS 551 CO -0.16 0.67 0.13 0.78 0.86 0.00 0.00 177.93 180.21 3k49 h GLY 552 N -0.25 0.93 0.98 2.45 0.00 -1.69 -1.59 103.07 103.89 3k49 h GLY 552 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 3k49 h GLY 552 CO 0.02 -0.21 -0.11 0.23 0.00 0.00 0.00 176.54 176.48 3k49 h SER 553 N 0.23 -0.25 -0.36 0.19 0.87 0.69 -1.15 113.55 113.77 3k49 h SER 553 Ca 0.39 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 3k49 h SER 553 Cb 0.67 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 3k49 h SER 553 CO -0.52 -0.15 0.24 0.03 -0.53 0.00 0.00 176.83 175.89 3k49 h ARG 554 N -0.32 0.47 0.30 2.24 3.08 -1.11 0.35 114.38 119.40 3k49 h ARG 554 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3k49 h ARG 554 Cb 0.25 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3k49 h ARG 554 CO 0.05 0.31 -0.15 0.35 -1.07 0.00 0.00 179.97 179.47 3k49 h PHE 555 N 0.49 -0.38 -0.64 3.04 3.57 -0.87 -2.00 116.94 120.15 3k49 h PHE 555 Ca 0.13 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 3k49 h PHE 555 Cb -0.05 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3k49 h PHE 555 CO -0.00 -0.22 0.17 0.82 -2.23 0.00 0.00 178.31 176.85 3k49 h ILE 556 N -0.42 1.24 -0.76 1.41 2.04 -0.15 -1.37 117.51 119.50 3k49 h ILE 556 Ca -0.04 -0.88 0.05 0.00 1.00 0.00 0.00 64.86 64.99 3k49 h ILE 556 Cb 0.32 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 3k49 h ILE 556 CO 0.07 0.34 0.46 1.56 0.00 0.00 0.00 178.15 180.57 3k49 h GLN 557 N 0.95 0.83 -0.18 2.37 4.20 -0.90 -0.47 115.11 121.91 3k49 h GLN 557 Ca 0.20 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 3k49 h GLN 557 Cb 0.32 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 3k49 h GLN 557 CO -0.00 0.55 -0.10 -0.09 -0.67 0.00 0.00 178.83 178.52 3k49 h ARG 558 N 0.85 0.37 -0.33 1.46 2.43 -0.71 -3.15 114.38 115.31 3k49 h ARG 558 Ca 0.33 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3k49 h ARG 558 Cb 0.14 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3k49 h ARG 558 CO -0.16 0.69 -0.07 0.93 -1.51 0.00 0.00 179.97 179.84 3k49 h GLU 559 N 0.05 0.55 0.00 0.20 4.39 -1.02 -2.94 114.58 115.81 3k49 h GLU 559 Ca 0.04 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 3k49 h GLU 559 Cb 0.58 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3k49 h GLU 559 CO 0.03 0.63 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.31 3k49 h LEU 560 N 0.51 0.00 -0.46 1.33 3.38 -1.05 0.11 115.31 119.14 3k49 h LEU 560 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3k49 h LEU 560 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3k49 h LEU 560 CO 0.02 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.68 3k49 h ALA 561 N 1.87 1.00 0.00 1.53 0.00 -1.51 -3.36 119.26 118.80 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 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 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 -3.00 0.00 -2.83 0.00 -2.24 -0.86 -5.08 114.28 100.28 3k49 n THR 562 Ca 0.03 -0.26 -0.37 0.00 -2.27 0.00 0.00 64.05 61.19 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 -0.10 7.27 0.92 3.42 0.01 0.32 -5.05 113.70 120.49 3k49 s SER 563 Ca 0.00 1.77 -0.11 0.00 1.31 0.00 0.00 55.95 58.92 3k49 s SER 563 Cb 0.00 -2.55 0.15 0.00 0.21 0.00 0.00 66.02 63.82 3k49 s SER 563 CO 0.00 -0.07 1.10 -2.16 0.41 0.00 0.00 173.24 172.52 3k49 s PRO 564 N -2.12 0.98 0.33 12.44 0.04 -1.26 -4.75 135.00 140.66 3k49 s PRO 564 Ca 0.50 1.22 0.09 0.00 0.04 0.00 0.00 61.00 62.85 3k49 s PRO 564 Cb -0.18 -1.75 0.84 0.00 0.04 0.00 0.00 34.50 33.46 3k49 s PRO 564 CO 0.23 -2.55 1.78 0.00 0.04 0.00 0.00 177.00 176.50 3k49 h ALA 565 N -1.79 1.82 -0.59 8.56 0.00 -1.99 -2.08 119.26 123.19 3k49 h ALA 565 Ca -0.47 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3k49 h ALA 565 Cb 1.27 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3k49 h ALA 565 CO 0.47 -0.20 0.36 0.77 0.00 0.00 0.00 179.25 180.66 3k49 h SER 566 N 0.65 0.70 0.31 0.00 0.02 -2.00 0.86 113.55 114.10 3k49 h SER 566 Ca 0.57 -0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 61.30 3k49 h SER 566 Cb 1.04 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 3k49 h SER 566 CO -0.35 0.54 -0.70 -0.33 -1.14 0.00 0.00 176.83 174.84 3k49 h GLU 567 N 0.79 0.35 -0.36 3.45 5.08 -1.73 -2.30 114.58 119.85 3k49 h GLU 567 Ca 0.21 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3k49 h GLU 567 Cb -0.04 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3k49 h GLU 567 CO -0.04 0.92 0.09 0.87 -1.00 0.00 0.00 179.01 179.84 3k49 h LYS 568 N 0.24 0.57 -0.68 2.33 1.57 -1.12 -2.76 116.57 116.72 3k49 h LYS 568 Ca -0.02 -0.14 0.10 0.00 -1.87 0.00 0.00 60.65 58.72 3k49 h LYS 568 Cb 1.26 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.42 3k49 h LYS 568 CO 0.12 0.62 0.30 0.93 -0.57 0.00 0.00 179.45 180.84 3k49 h GLU 569 N 0.43 0.49 -0.36 3.15 5.08 -0.65 -0.25 114.58 122.46 3k49 h GLU 569 Ca 0.11 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3k49 h GLU 569 Cb 0.30 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3k49 h GLU 569 CO 0.00 0.32 0.06 0.28 -1.00 0.00 0.00 179.01 178.67 3k49 h VAL 570 N 0.50 1.24 -0.09 3.13 2.07 -1.27 0.65 116.25 122.48 3k49 h VAL 570 Ca 0.34 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3k49 h VAL 570 Cb 0.42 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3k49 h VAL 570 CO -0.31 0.28 0.06 0.40 0.02 0.00 0.00 177.57 178.03 3k49 h ILE 571 N 0.44 1.04 -0.13 4.57 1.08 -1.23 -2.98 117.51 120.31 3k49 h ILE 571 Ca 0.11 -0.08 -0.00 0.00 -0.39 0.00 0.00 64.86 64.49 3k49 h ILE 571 Cb 0.36 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 3k49 h ILE 571 CO 0.01 0.03 0.06 0.15 -0.69 0.00 0.00 178.15 177.71 3k49 h PHE 572 N 0.11 0.18 0.00 1.37 3.04 -0.71 -2.02 116.94 118.90 3k49 h PHE 572 Ca 0.03 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3k49 h PHE 572 Cb 0.00 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.46 3k49 h PHE 572 CO -0.07 0.21 0.00 -0.91 -2.02 0.00 0.00 178.31 175.53 3k49 h ASN 573 N 0.09 0.00 0.19 0.41 2.35 -0.94 0.06 115.58 117.74 3k49 h ASN 573 Ca 0.04 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.47 3k49 h ASN 573 Cb 0.10 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.48 3k49 h ASN 573 CO -0.01 0.00 -1.58 -0.08 -1.65 0.00 0.00 177.43 174.12 3k49 h GLU 574 N 0.00 0.40 -0.08 0.81 4.81 -1.26 -3.38 114.58 115.89 3k49 h GLU 574 Ca 0.00 -0.69 0.00 0.00 -0.13 0.00 0.00 59.36 58.54 3k49 h GLU 574 Cb 0.21 0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3k49 h GLU 574 CO 0.00 1.33 0.00 0.44 -0.73 0.00 0.00 179.01 180.05 3k49 n ILE 575 N -3.71 0.08 -0.30 2.32 -5.35 -0.81 -4.60 119.36 106.99 3k49 n ILE 575 Ca -0.22 -0.54 -0.04 0.00 -0.27 0.00 0.00 62.75 61.68 3k49 n ILE 575 Cb 1.04 1.36 0.11 0.00 -1.74 0.00 0.00 39.64 40.41 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 4.08 1.19 0.00 6.28 0.11 -1.19 -1.37 114.38 123.48 3k49 h ARG 576 Ca 0.00 -0.16 0.00 0.00 0.10 0.00 0.00 59.98 59.92 3k49 h ARG 576 Cb 0.88 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 31.73 3k49 h ARG 576 CO 0.00 0.90 0.00 -0.44 0.10 0.00 0.00 179.97 180.53 3k49 h ASP 577 N 1.19 0.00 -0.42 0.08 3.45 -1.86 -2.15 116.42 116.72 3k49 h ASP 577 Ca 0.29 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.63 3k49 h ASP 577 Cb 0.08 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 38.77 3k49 h ASP 577 CO -0.04 0.00 0.06 0.47 -1.57 0.00 0.00 179.24 178.16 3k49 n ASP 578 N -2.79 3.62 -0.06 6.45 9.92 -0.53 -4.70 116.55 128.46 3k49 n ASP 578 Ca -0.00 -3.33 -0.11 0.00 -0.53 0.00 0.00 54.79 50.82 3k49 n ASP 578 Cb 0.20 -0.63 -0.04 0.00 -0.64 0.00 0.00 41.12 40.01 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 1.68 0.27 -0.19 2.24 0.00 -1.24 -0.88 119.26 121.13 3k49 h ALA 579 Ca 0.15 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3k49 h ALA 579 Cb 1.75 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.41 3k49 h ALA 579 CO 0.42 -0.15 -0.19 0.82 0.00 0.00 0.00 179.25 180.15 3k49 h ILE 580 N 0.18 0.50 -0.12 0.00 1.08 -1.84 0.36 117.51 117.68 3k49 h ILE 580 Ca 0.07 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.56 3k49 h ILE 580 Cb 0.16 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 3k49 h ILE 580 CO -0.01 0.00 0.00 -0.08 -0.69 0.00 0.00 178.15 177.38 3k49 h GLU 581 N -0.21 0.05 -0.94 2.37 4.81 -1.88 -2.19 114.58 116.59 3k49 h GLU 581 Ca 0.12 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3k49 h GLU 581 Cb 0.39 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 3k49 h GLU 581 CO -0.31 0.03 0.60 -0.07 -0.73 0.00 0.00 179.01 178.53 3k49 h LEU 582 N 0.05 1.11 -1.52 1.64 3.38 -0.85 -0.97 115.31 118.15 3k49 h LEU 582 Ca 0.06 -0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.12 3k49 h LEU 582 Cb 0.06 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3k49 h LEU 582 CO -0.09 0.82 0.51 0.28 0.09 0.00 0.00 178.44 180.05 3k49 h SER 583 N 1.29 0.45 0.80 -0.43 0.02 0.30 -0.47 113.55 115.51 3k49 h SER 583 Ca 0.34 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 3k49 h SER 583 Cb -0.11 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.37 3k49 h SER 583 CO -0.07 0.24 -0.17 0.59 -1.14 0.00 0.00 176.83 176.27 3k49 n ASN 584 N -4.49 0.19 -4.81 3.07 3.02 -0.43 -1.13 115.26 110.67 3k49 n ASN 584 Ca 0.15 0.20 -0.38 0.00 -0.03 0.00 0.00 54.58 54.51 3k49 n ASN 584 Cb 0.50 -0.23 -0.06 0.00 -0.61 0.00 0.00 39.78 39.38 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 -2.98 7.08 0.43 6.41 2.15 -0.22 -4.66 116.67 124.89 3k49 s ASP 585 Ca 0.14 1.31 0.18 0.00 0.43 0.00 0.00 52.55 54.61 3k49 s ASP 585 Cb 0.19 -2.38 1.12 0.00 -0.30 0.00 0.00 42.92 41.54 3k49 s ASP 585 CO 0.59 0.22 1.88 1.62 -0.17 0.00 0.00 175.17 179.30 3k49 h VAL 586 N 3.32 0.70 0.00 1.11 3.04 -1.91 -2.05 116.25 120.46 3k49 h VAL 586 Ca -0.49 -0.13 -0.10 0.00 -1.01 0.00 0.00 66.70 64.98 3k49 h VAL 586 Cb 1.21 0.30 -0.02 0.00 -2.01 0.00 0.00 31.29 30.77 3k49 h VAL 586 CO 0.64 0.07 -1.55 0.49 -1.01 0.00 0.00 177.57 176.21 3k49 n PHE 587 N -4.48 0.00 0.39 3.17 0.99 -1.26 -4.59 117.46 111.67 3k49 n PHE 587 Ca 0.18 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.76 3k49 n PHE 587 Cb 0.68 -0.35 0.40 0.00 -1.00 0.00 0.00 39.48 39.20 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 1.77 0.00 2.00 1.37 0.00 -1.34 -3.30 103.07 103.57 3k49 h GLY 588 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 3k49 h GLY 588 CO 0.01 0.00 -0.40 3.45 0.00 0.00 0.00 176.54 179.60 3k49 h ASN 589 N 0.00 0.00 0.03 0.19 7.08 -0.95 -2.13 115.58 119.80 3k49 h ASN 589 Ca 0.00 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.15 3k49 h ASN 589 Cb 0.71 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.94 3k49 h ASN 589 CO 0.00 0.40 -0.21 1.88 -2.08 0.00 0.00 177.43 177.42 3k49 h TYR 590 N 0.00 0.34 -0.21 4.14 -1.99 -1.86 -1.90 116.97 115.49 3k49 h TYR 590 Ca -0.00 -0.06 -0.20 0.00 2.00 0.00 0.00 58.73 60.47 3k49 h TYR 590 Cb 0.74 -0.09 0.01 0.00 2.00 0.00 0.00 36.73 39.38 3k49 h TYR 590 CO 0.00 0.51 -0.65 0.28 -0.00 0.00 0.00 178.16 178.30 3k49 h VAL 591 N 0.29 1.28 -0.49 -2.88 2.07 -1.59 -1.05 116.25 113.89 3k49 h VAL 591 Ca 0.05 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 3k49 h VAL 591 Cb 0.54 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 3k49 h VAL 591 CO 0.04 0.59 0.28 0.40 0.02 0.00 0.00 177.57 178.89 3k49 h ILE 592 N 0.58 1.16 -0.98 4.57 1.08 -1.37 -2.60 117.51 119.96 3k49 h ILE 592 Ca -0.02 -0.40 0.10 0.00 -0.39 0.00 0.00 64.86 64.15 3k49 h ILE 592 Cb 1.27 0.54 -0.07 0.00 -3.07 0.00 0.00 36.82 35.49 3k49 h ILE 592 CO 0.14 0.17 0.63 1.56 -0.69 0.00 0.00 178.15 179.96 3k49 h GLN 593 N 0.65 1.00 0.00 2.37 4.20 -1.12 -1.54 115.11 120.66 3k49 h GLN 593 Ca 0.17 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 3k49 h GLN 593 Cb 0.03 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3k49 h GLN 593 CO -0.03 0.66 -0.23 0.87 -0.67 0.00 0.00 178.83 179.43 3k49 h LYS 594 N 1.03 0.00 0.00 1.46 1.79 -0.87 -1.36 116.57 118.63 3k49 h LYS 594 Ca 0.46 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.88 3k49 h LYS 594 Cb 0.37 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 3k49 h LYS 594 CO -0.21 0.23 -0.23 0.74 -1.08 0.00 0.00 179.45 178.90 3k49 h PHE 595 N 0.00 0.00 0.09 -1.35 -1.00 -0.91 0.36 116.94 114.13 3k49 h PHE 595 Ca -0.00 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.52 3k49 h PHE 595 Cb 0.56 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.11 3k49 h PHE 595 CO 0.00 0.23 -1.18 0.74 -1.61 0.00 0.00 178.31 176.49 3k49 h PHE 596 N 0.00 0.35 -0.01 -0.55 -1.00 -1.16 -0.60 116.94 113.98 3k49 h PHE 596 Ca -0.00 -0.26 -0.18 0.00 2.81 0.00 0.00 57.97 60.34 3k49 h PHE 596 Cb 0.71 -0.01 0.01 0.00 3.61 0.00 0.00 35.95 40.27 3k49 h PHE 596 CO 0.00 1.20 -0.71 1.49 -1.61 0.00 0.00 178.31 178.68 3k49 h GLU 597 N 0.05 0.49 -0.07 1.51 4.81 -1.17 -3.38 114.58 116.83 3k49 h GLU 597 Ca -0.10 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 3k49 h GLU 597 Cb 1.92 0.15 0.00 0.00 0.63 0.00 0.00 28.75 31.44 3k49 h GLU 597 CO 0.18 1.16 0.00 1.19 -0.73 0.00 0.00 179.01 180.81 3k49 n PHE 598 N -4.13 0.09 -2.20 0.92 3.01 0.12 -5.05 117.46 110.24 3k49 n PHE 598 Ca -0.10 -0.36 -0.27 0.00 1.01 0.00 0.00 57.45 57.73 3k49 n PHE 598 Cb 0.72 -0.03 0.05 0.00 -0.01 0.00 0.00 39.48 40.21 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 -0.79 1.64 0.51 1.37 0.00 -0.23 -4.97 107.32 104.85 3k49 s GLY 599 Ca 0.06 -0.74 -0.05 0.00 0.00 0.00 0.00 44.72 43.98 3k49 s GLY 599 CO 0.04 -0.38 0.82 -1.35 0.00 0.00 0.00 173.10 172.24 3k49 s SER 600 N -4.43 6.09 0.16 1.64 1.04 -1.26 -4.88 113.70 112.06 3k49 s SER 600 Ca 0.58 0.89 -0.21 0.00 0.48 0.00 0.00 55.95 57.68 3k49 s SER 600 Cb -0.11 -2.11 0.06 0.00 0.10 0.00 0.00 66.02 63.96 3k49 s SER 600 CO 0.46 -0.71 1.63 0.50 0.98 0.00 0.00 173.24 176.10 3k49 h LYS 601 N 0.11 -0.19 -0.88 4.02 3.64 -1.98 0.23 116.57 121.52 3k49 h LYS 601 Ca -0.46 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.11 3k49 h LYS 601 Cb 1.22 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.97 3k49 h LYS 601 CO 0.61 -0.13 0.43 0.82 -2.27 0.00 0.00 179.45 178.92 3k49 h ILE 602 N -0.20 0.63 -0.16 2.00 1.08 -1.99 0.26 117.51 119.12 3k49 h ILE 602 Ca 0.17 -0.19 -0.21 0.00 -0.39 0.00 0.00 64.86 64.24 3k49 h ILE 602 Cb 0.46 0.04 0.01 0.00 -3.07 0.00 0.00 36.82 34.25 3k49 h ILE 602 CO -0.45 0.10 -0.72 1.56 -0.69 0.00 0.00 178.15 177.95 3k49 h GLN 603 N 0.54 0.77 -0.52 2.37 4.20 -1.21 -2.55 115.11 118.72 3k49 h GLN 603 Ca 0.51 -0.62 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 3k49 h GLN 603 Cb 0.83 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 3k49 h GLN 603 CO -0.43 1.23 0.13 0.87 -0.67 0.00 0.00 178.83 179.96 3k49 h LYS 604 N 0.50 0.83 -0.96 1.46 1.57 0.06 -2.47 116.57 117.56 3k49 h LYS 604 Ca -0.05 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.56 3k49 h LYS 604 Cb 1.36 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 33.50 3k49 h LYS 604 CO 0.15 0.79 0.63 -0.91 -0.57 0.00 0.00 179.45 179.54 3k49 h ASN 605 N 0.72 1.06 -0.46 0.86 2.35 -0.53 -1.35 115.58 118.23 3k49 h ASN 605 Ca 0.16 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3k49 h ASN 605 Cb 0.33 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3k49 h ASN 605 CO 0.00 0.74 0.08 0.74 -1.65 0.00 0.00 177.43 177.34 3k49 h THR 606 N 1.24 1.25 -0.35 2.81 2.02 -1.16 -0.72 112.91 118.00 3k49 h THR 606 Ca 0.37 -0.90 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 3k49 h THR 606 Cb -0.05 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3k49 h THR 606 CO -0.10 0.32 0.07 -0.07 0.37 0.00 0.00 175.52 176.10 3k49 h LEU 607 N 0.62 0.54 -0.57 2.58 3.38 -1.19 -2.65 115.31 118.03 3k49 h LEU 607 Ca 0.14 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.93 3k49 h LEU 607 Cb 0.38 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3k49 h LEU 607 CO 0.01 0.65 0.26 0.58 0.09 0.00 0.00 178.44 180.03 3k49 h VAL 608 N 0.41 0.89 0.00 1.22 2.07 -1.07 -0.13 116.25 119.64 3k49 h VAL 608 Ca 0.11 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3k49 h VAL 608 Cb 0.33 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3k49 h VAL 608 CO 0.00 0.09 0.00 0.44 0.02 0.00 0.00 177.57 178.12 3k49 h ASP 609 N 0.49 0.00 0.66 0.57 3.32 -0.98 0.36 116.42 120.84 3k49 h ASP 609 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3k49 h ASP 609 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3k49 h ASP 609 CO -0.21 0.00 -0.43 0.00 -1.72 0.00 0.00 179.24 176.88 3k49 n GLN 610 N -2.76 0.06 -0.02 3.56 6.02 -0.12 -4.03 117.38 120.08 3k49 n GLN 610 Ca -0.01 0.02 -0.15 0.00 -0.01 0.00 0.00 57.00 56.86 3k49 n GLN 610 Cb 0.17 -1.54 -0.14 0.00 1.02 0.00 0.00 30.24 29.75 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 -1.62 1.03 -1.64 1.08 3.72 0.12 -4.80 117.46 115.34 3k49 n PHE 611 Ca 0.05 0.29 -0.60 0.00 -0.05 0.00 0.00 57.45 57.14 3k49 n PHE 611 Cb 0.36 -1.16 -0.08 0.00 -0.94 0.00 0.00 39.48 37.65 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 -3.23 0.48 -0.20 -1.08 5.02 -0.63 0.28 118.16 118.80 3k49 n LYS 612 Ca -0.25 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3k49 n LYS 612 Cb 1.05 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 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 3.10 1.48 0.00 0.72 0.00 -1.26 -4.85 105.19 104.38 3k49 n GLY 613 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 1.38 -0.04 1.61 3.02 0.14 -4.85 115.26 116.52 3k49 n ASN 614 Ca 0.00 -1.61 -0.10 0.00 -0.03 0.00 0.00 54.58 52.84 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 -0.36 -0.30 3.52 2.86 -1.85 -1.65 114.93 117.15 3k49 h MET 615 Ca 0.00 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.71 3k49 h MET 615 Cb 0.51 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.22 3k49 h MET 615 CO 0.00 -0.24 0.06 -0.22 1.06 0.00 0.00 176.91 177.57 3k49 h LYS 616 N -0.37 0.16 -0.02 1.72 3.64 -1.89 0.23 116.57 120.04 3k49 h LYS 616 Ca 0.11 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3k49 h LYS 616 Cb 0.56 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3k49 h LYS 616 CO -0.42 0.11 0.01 0.37 -2.27 0.00 0.00 179.45 177.24 3k49 h GLN 617 N 0.16 0.02 -0.90 1.90 4.15 -1.88 -1.94 115.11 116.63 3k49 h GLN 617 Ca 0.14 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 3k49 h GLN 617 Cb 0.15 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 3k49 h GLN 617 CO -0.19 0.10 0.56 -0.07 -1.93 0.00 0.00 178.83 177.31 3k49 h LEU 618 N -0.06 1.07 -1.76 -2.39 3.38 -1.01 -2.36 115.31 112.17 3k49 h LEU 618 Ca 0.01 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3k49 h LEU 618 Cb 0.09 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3k49 h LEU 618 CO -0.00 0.81 -0.15 0.28 0.09 0.00 0.00 178.44 179.46 3k49 h SER 619 N 1.23 0.00 0.62 -0.43 0.02 -0.22 -2.34 113.55 112.44 3k49 h SER 619 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3k49 h SER 619 Cb -0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3k49 h SER 619 CO -0.06 0.15 -0.69 0.18 -1.14 0.00 0.00 176.83 175.27 3k49 n LEU 620 N -3.71 0.62 -4.78 5.07 4.77 -0.76 -3.40 117.00 114.81 3k49 n LEU 620 Ca -0.02 0.08 -0.38 0.00 -0.03 0.00 0.00 56.01 55.66 3k49 n LEU 620 Cb 0.27 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 3k49 n LEU 620 CO 0.32 0.03 0.59 -1.10 -1.33 0.00 0.00 177.39 175.90 3k49 s GLN 621 N -3.12 4.61 0.32 3.23 -0.21 -0.91 -4.76 119.66 118.83 3k49 s GLN 621 Ca 0.07 1.28 0.02 0.00 0.02 0.00 0.00 55.36 56.75 3k49 s GLN 621 Cb 0.15 -3.02 0.60 0.00 1.00 0.00 0.00 33.01 31.74 3k49 s GLN 621 CO 0.74 0.41 1.94 1.98 -2.12 0.00 0.00 175.29 178.24 3k49 h MET 622 N 3.67 0.91 0.00 2.91 1.85 -1.90 -2.28 114.93 120.08 3k49 h MET 622 Ca -0.46 -0.05 -0.44 0.00 -0.61 0.00 0.00 59.70 58.13 3k49 h MET 622 Cb 1.20 -0.21 -0.07 0.00 0.43 0.00 0.00 31.60 32.95 3k49 h MET 622 CO 0.66 0.60 -2.51 0.66 -0.40 0.00 0.00 176.91 175.93 3k49 n TYR 623 N -4.47 0.03 0.24 1.39 0.53 -1.26 -4.40 117.16 109.22 3k49 n TYR 623 Ca 0.12 0.01 0.15 0.00 -1.02 0.00 0.00 57.90 57.16 3k49 n TYR 623 Cb 0.18 -1.00 0.83 0.00 -1.03 0.00 0.00 39.34 38.32 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 -0.69 1.75 0.00 -0.72 0.00 -1.21 -0.78 119.26 117.61 3k49 h ALA 624 Ca -0.66 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 3k49 h ALA 624 Cb 1.70 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 3k49 h ALA 624 CO -0.32 -0.16 -0.19 0.00 0.00 0.00 0.00 179.25 178.58 3k49 h ARG 626 N 0.00 0.21 -0.03 0.00 2.47 -1.36 -0.84 114.38 114.83 3k49 h ARG 626 Ca -0.00 -0.10 -0.13 0.00 -1.26 0.00 0.00 59.98 58.49 3k49 h ARG 626 Cb 0.42 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.75 3k49 h ARG 626 CO 0.02 0.62 -0.48 0.28 0.56 0.00 0.00 179.97 180.97 3k49 h VAL 627 N 0.17 1.44 -0.74 2.04 2.07 -1.35 -2.09 116.25 117.79 3k49 h VAL 627 Ca 0.01 -1.96 0.05 0.00 0.82 0.00 0.00 66.70 65.63 3k49 h VAL 627 Cb 0.85 2.52 -0.05 0.00 -1.52 0.00 0.00 31.29 33.09 3k49 h VAL 627 CO 0.07 0.56 0.45 0.40 0.02 0.00 0.00 177.57 179.07 3k49 h ILE 628 N -0.15 1.03 -0.76 4.57 1.08 -1.15 -0.01 117.51 122.12 3k49 h ILE 628 Ca -0.05 -0.29 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 3k49 h ILE 628 Cb 1.18 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 35.01 3k49 h ILE 628 CO 0.10 0.15 0.32 1.56 -0.69 0.00 0.00 178.15 179.59 3k49 h GLN 629 N 0.84 1.13 -0.39 2.37 4.20 -1.11 -2.20 115.11 119.94 3k49 h GLN 629 Ca 0.32 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.71 3k49 h GLN 629 Cb 0.13 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3k49 h GLN 629 CO -0.16 0.91 -0.23 -0.22 -0.67 0.00 0.00 178.83 178.46 3k49 h LYS 630 N 1.10 0.79 -0.52 1.46 1.63 -1.00 -3.19 116.57 116.84 3k49 h LYS 630 Ca 0.26 -0.33 -0.05 0.00 -0.85 0.00 0.00 60.65 59.68 3k49 h LYS 630 Cb 0.19 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 3k49 h LYS 630 CO -0.02 0.95 0.12 0.00 -3.45 0.00 0.00 179.45 177.05 3k49 h ALA 631 N 1.05 0.69 -0.82 5.00 0.00 -0.70 -2.77 119.26 121.70 3k49 h ALA 631 Ca 0.09 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3k49 h ALA 631 Cb 0.75 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3k49 h ALA 631 CO 0.06 0.39 0.53 -0.07 0.00 0.00 0.00 179.25 180.16 3k49 h LEU 632 N 0.73 0.74 -1.59 0.00 3.38 -1.40 0.91 115.31 118.08 3k49 h LEU 632 Ca 0.16 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3k49 h LEU 632 Cb 0.34 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3k49 h LEU 632 CO 0.00 0.46 -0.03 -0.33 0.09 0.00 0.00 178.44 178.63 3k49 h GLU 633 N 0.83 0.22 0.00 1.13 5.08 -1.50 -3.37 114.58 116.98 3k49 h GLU 633 Ca 0.36 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3k49 h GLU 633 Cb 0.33 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3k49 h GLU 633 CO -0.14 0.27 -1.33 0.66 -1.00 0.00 0.00 179.01 177.47 3k49 n TYR 634 N -4.37 0.00 -2.25 4.33 4.01 0.17 -5.04 117.16 114.00 3k49 n TYR 634 Ca -0.01 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.47 3k49 n TYR 634 Cb 0.19 -0.19 0.12 0.00 -0.31 0.00 0.00 39.34 39.15 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 -2.56 2.15 0.50 -0.72 -4.36 -0.35 -5.05 121.20 110.82 3k49 s ILE 635 Ca -0.03 -0.30 -0.17 0.00 -0.26 0.00 0.00 60.65 59.90 3k49 s ILE 635 Cb 0.06 -2.85 -0.08 0.00 1.25 0.00 0.00 42.46 40.84 3k49 s ILE 635 CO 0.36 0.00 0.97 1.51 0.24 0.00 0.00 174.94 178.02 3k49 s ASP 636 N -4.71 6.65 0.36 4.36 1.47 -1.26 -4.83 116.67 118.72 3k49 s ASP 636 Ca 0.66 1.56 0.12 0.00 1.18 0.00 0.00 52.55 56.08 3k49 s ASP 636 Cb -0.07 -2.50 0.93 0.00 -0.34 0.00 0.00 42.92 40.94 3k49 s ASP 636 CO 0.47 -0.55 1.81 0.77 0.68 0.00 0.00 175.17 178.35 3k49 h SER 637 N 1.05 0.59 0.08 2.11 4.64 -1.96 0.29 113.55 120.35 3k49 h SER 637 Ca -0.47 0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 60.79 3k49 h SER 637 Cb 1.18 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 3k49 h SER 637 CO 0.62 0.21 -0.43 0.78 -0.87 0.00 0.00 176.83 177.14 3k49 h ASN 638 N 0.57 0.46 0.20 4.97 2.35 -2.01 -2.87 115.58 119.25 3k49 h ASN 638 Ca 0.53 -0.21 -0.15 0.00 -0.55 0.00 0.00 56.30 55.92 3k49 h ASN 638 Cb 1.08 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 3k49 h ASN 638 CO -0.28 0.83 -0.57 1.56 -1.65 0.00 0.00 177.43 177.32 3k49 h GLN 639 N 0.36 0.39 0.11 0.81 4.20 -0.82 -2.21 115.11 117.95 3k49 h GLN 639 Ca 0.03 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.50 3k49 h GLN 639 Cb 0.90 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.68 3k49 h GLN 639 CO 0.08 0.85 -0.21 0.00 -0.67 0.00 0.00 178.83 178.88 3k49 h ARG 640 N 0.29 -0.38 -0.30 1.46 3.08 -1.17 -1.73 114.38 115.64 3k49 h ARG 640 Ca 0.00 0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 3k49 h ARG 640 Cb 1.09 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 3k49 h ARG 640 CO 0.10 -0.25 -0.34 0.97 -1.07 0.00 0.00 179.97 179.37 3k49 h ILE 641 N -0.39 1.29 -0.43 2.04 6.09 -1.51 -0.76 117.51 123.84 3k49 h ILE 641 Ca 0.03 -1.48 0.05 0.00 -1.37 0.00 0.00 64.86 62.08 3k49 h ILE 641 Cb 0.41 1.42 -0.04 0.00 0.47 0.00 0.00 36.82 39.08 3k49 h ILE 641 CO -0.11 0.48 0.17 -0.08 -3.07 0.00 0.00 178.15 175.54 3k49 h GLU 642 N 0.55 0.34 -0.25 2.19 4.81 -1.26 0.98 114.58 121.95 3k49 h GLU 642 Ca 0.06 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3k49 h GLU 642 Cb 0.85 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 3k49 h GLU 642 CO 0.07 0.23 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.46 3k49 h LEU 643 N 0.35 0.47 -1.12 1.64 3.38 -1.08 -3.27 115.31 115.69 3k49 h LEU 643 Ca 0.19 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3k49 h LEU 643 Cb 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3k49 h LEU 643 CO -0.18 0.71 -0.27 0.58 0.09 0.00 0.00 178.44 179.37 3k49 h VAL 644 N 0.22 1.25 -0.06 1.22 2.07 -0.75 -2.50 116.25 117.69 3k49 h VAL 644 Ca 0.06 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.41 3k49 h VAL 644 Cb 0.50 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3k49 h VAL 644 CO 0.02 0.36 0.33 -0.07 0.02 0.00 0.00 177.57 178.24 3k49 h LEU 645 N 0.25 0.00 -0.02 2.57 3.38 -0.86 0.20 115.31 120.83 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 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3k49 h LEU 645 CO 0.04 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.95 3k49 n GLU 646 N -3.04 0.02 -0.23 1.13 1.02 -0.94 -2.08 120.64 116.52 3k49 n GLU 646 Ca -0.01 0.13 0.10 0.00 -0.02 0.00 0.00 57.16 57.36 3k49 n GLU 646 Cb 0.40 -1.52 0.22 0.00 -0.02 0.00 0.00 31.44 30.52 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 -1.55 3.37 0.31 -4.62 4.77 0.69 -4.66 117.00 115.32 3k49 n LEU 647 Ca 0.05 -1.75 0.19 0.00 -0.03 0.00 0.00 56.01 54.47 3k49 n LEU 647 Cb 0.27 -0.31 1.05 0.00 -2.33 0.00 0.00 43.42 42.10 3k49 n LEU 647 CO 0.21 0.79 1.16 0.77 -1.33 0.00 0.00 177.39 178.99 3k49 h SER 648 N 3.61 0.00 -0.31 -1.43 4.64 -1.51 -1.63 113.55 116.92 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 -3.46 2.91 -0.20 4.97 8.00 -1.26 -4.55 116.55 122.96 3k49 n ASP 649 Ca -0.03 -2.08 0.02 0.00 0.71 0.00 0.00 54.79 53.41 3k49 n ASP 649 Cb 0.10 -0.24 0.03 0.00 -0.02 0.00 0.00 41.12 41.00 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 0.33 0.81 0.10 -2.24 7.64 -0.62 -4.89 113.62 114.75 3k49 n SER 650 Ca 0.11 -1.98 -0.12 0.00 1.01 0.00 0.00 58.87 57.89 3k49 n SER 650 Cb 0.45 -0.17 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 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 3.42 0.41 -0.53 0.44 2.07 -1.77 0.45 116.25 120.74 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 1.08 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 3k49 h VAL 651 CO 0.00 0.00 0.26 -0.07 0.02 0.00 0.00 177.57 177.78 3k49 h LEU 652 N -0.46 0.36 -0.95 2.57 3.38 -1.90 -0.17 115.31 118.14 3k49 h LEU 652 Ca 0.04 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3k49 h LEU 652 Cb 0.50 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3k49 h LEU 652 CO -0.17 0.25 0.62 -0.61 0.09 0.00 0.00 178.44 178.62 3k49 h GLN 653 N 0.50 1.20 -0.69 1.13 4.15 -1.79 -2.67 115.11 116.95 3k49 h GLN 653 Ca 0.24 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 3k49 h GLN 653 Cb 0.17 -0.27 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 3k49 h GLN 653 CO -0.18 0.80 0.29 0.52 -1.93 0.00 0.00 178.83 178.33 3k49 h MET 654 N 1.24 1.02 0.00 1.69 2.86 0.13 -2.48 114.93 119.39 3k49 h MET 654 Ca 0.36 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.75 3k49 h MET 654 Cb -0.07 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 3k49 h MET 654 CO -0.10 0.83 -0.35 0.82 1.06 0.00 0.00 176.91 179.17 3k49 h ILE 655 N 0.97 1.00 0.00 -1.22 2.04 -0.90 -0.26 117.51 119.14 3k49 h ILE 655 Ca 0.23 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.77 3k49 h ILE 655 Cb 0.18 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3k49 h ILE 655 CO -0.02 0.34 -0.57 0.11 0.00 0.00 0.00 178.15 178.01 3k49 h LYS 656 N 0.00 0.00 -6.61 2.37 1.57 -1.25 -3.41 116.57 109.23 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 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 3k49 h LYS 656 CO 0.05 0.00 0.44 0.34 -0.57 0.00 0.00 179.45 179.70 3k49 s ASP 657 N -4.65 7.35 0.50 0.86 2.15 -0.95 -4.94 116.67 116.98 3k49 s ASP 657 Ca 0.06 1.97 0.25 0.00 0.43 0.00 0.00 52.55 55.25 3k49 s ASP 657 Cb 0.12 -2.60 1.32 0.00 -0.30 0.00 0.00 42.92 41.46 3k49 s ASP 657 CO 0.71 -0.18 1.92 -0.61 -0.17 0.00 0.00 175.17 176.85 3k49 h GLN 658 N 5.41 0.13 0.00 4.34 4.15 -1.89 -2.41 115.11 124.85 3k49 h GLN 658 Ca -0.44 -0.01 -0.39 0.00 0.77 0.00 0.00 58.65 58.59 3k49 h GLN 658 Cb 1.21 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.80 3k49 h GLN 658 CO 0.73 0.09 -2.45 0.09 -1.93 0.00 0.00 178.83 175.36 3k49 n ASN 659 N -4.38 1.73 0.24 -0.69 3.02 -1.26 -4.60 115.26 109.33 3k49 n ASN 659 Ca 0.15 -0.11 0.14 0.00 -0.03 0.00 0.00 54.58 54.73 3k49 n ASN 659 Cb 0.74 -0.25 0.48 0.00 -0.61 0.00 0.00 39.78 40.14 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 2.22 0.00 2.00 7.41 0.00 -1.54 -3.02 103.07 110.14 3k49 h GLY 660 Ca -0.57 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 3k49 h GLY 660 CO -0.07 0.00 -0.38 3.45 0.00 0.00 0.00 176.54 179.55 3k49 h ASN 661 N 0.00 0.00 0.77 0.19 7.08 -0.53 -2.09 115.58 120.99 3k49 h ASN 661 Ca -0.00 0.00 -0.15 0.00 -3.08 0.00 0.00 56.30 53.07 3k49 h ASN 661 Cb 0.72 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.94 3k49 h ASN 661 CO 0.01 0.38 -0.69 0.45 -2.08 0.00 0.00 177.43 175.49 3k49 h HIS 662 N 0.00 0.00 -0.16 4.14 3.86 -1.81 -1.60 115.15 119.58 3k49 h HIS 662 Ca -0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 3k49 h HIS 662 Cb 0.71 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.18 3k49 h HIS 662 CO 0.00 0.69 -0.26 0.28 0.86 0.00 0.00 177.93 179.51 3k49 h VAL 663 N 0.00 1.35 -0.26 2.45 2.07 -1.54 -1.52 116.25 118.80 3k49 h VAL 663 Ca -0.01 -1.49 0.05 0.00 0.82 0.00 0.00 66.70 66.08 3k49 h VAL 663 Cb 1.26 1.94 -0.05 0.00 -1.52 0.00 0.00 31.29 32.92 3k49 h VAL 663 CO 0.09 0.44 -0.06 0.40 0.02 0.00 0.00 177.57 178.47 3k49 h ILE 664 N 0.08 0.75 -0.74 4.57 1.08 -1.33 0.23 117.51 122.15 3k49 h ILE 664 Ca 0.01 -0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 3k49 h ILE 664 Cb 0.83 0.74 -0.04 0.00 -3.07 0.00 0.00 36.82 35.29 3k49 h ILE 664 CO 0.06 0.00 0.44 1.56 -0.69 0.00 0.00 178.15 179.52 3k49 h GLN 665 N 0.01 1.01 -0.20 2.37 4.20 -1.23 -0.09 115.11 121.19 3k49 h GLN 665 Ca 0.12 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.61 3k49 h GLN 665 Cb 0.19 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3k49 h GLN 665 CO -0.26 0.72 -0.44 -0.22 -0.67 0.00 0.00 178.83 177.97 3k49 h LYS 666 N 1.02 0.49 -0.48 1.46 1.63 -0.85 -1.00 116.57 118.83 3k49 h LYS 666 Ca 0.27 -0.26 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 3k49 h LYS 666 Cb -0.02 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 3k49 h LYS 666 CO -0.05 0.83 0.26 0.00 -3.45 0.00 0.00 179.45 177.04 3k49 h ALA 667 N 1.13 0.61 -0.78 5.00 0.00 -0.12 -1.31 119.26 123.79 3k49 h ALA 667 Ca 0.03 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3k49 h ALA 667 Cb 0.93 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3k49 h ALA 667 CO 0.08 0.14 0.52 0.82 0.00 0.00 0.00 179.25 180.82 3k49 h ILE 668 N 0.63 1.20 0.00 0.00 2.04 -0.47 -1.20 117.51 119.71 3k49 h ILE 668 Ca 0.17 -0.36 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 3k49 h ILE 668 Cb 0.07 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.17 3k49 h ILE 668 CO -0.03 0.19 -0.63 -0.33 0.00 0.00 0.00 178.15 177.36 3k49 h GLU 669 N 1.06 0.00 0.00 2.37 5.08 -0.87 -3.33 114.58 118.88 3k49 h GLU 669 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3k49 h GLU 669 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3k49 h GLU 669 CO -0.06 0.63 -1.48 0.25 -1.00 0.00 0.00 179.01 177.34 3k49 n THR 670 N -3.59 0.00 -5.10 1.13 -2.24 -0.52 -4.96 114.28 98.99 3k49 n THR 670 Ca -0.00 -0.29 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 3k49 n THR 670 Cb 0.67 0.42 -0.16 0.00 -2.10 0.00 0.00 70.33 69.16 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 -3.10 1.79 0.15 2.28 1.01 -0.47 -5.05 121.20 117.81 3k49 s ILE 671 Ca -0.02 -0.93 -0.31 0.00 0.00 0.00 0.00 60.65 59.39 3k49 s ILE 671 Cb 0.13 -1.51 -0.11 0.00 0.01 0.00 0.00 42.46 40.98 3k49 s ILE 671 CO 0.78 0.50 1.76 -2.84 0.00 0.00 0.00 174.94 175.14 3k49 s PRO 672 N -0.22 4.14 0.52 2.79 0.02 -1.26 -4.72 135.00 136.27 3k49 s PRO 672 Ca 0.00 2.56 0.25 0.00 0.02 0.00 0.00 61.00 63.83 3k49 s PRO 672 Cb -0.11 -3.40 1.37 0.00 0.02 0.00 0.00 34.50 32.38 3k49 s PRO 672 CO 0.02 -0.79 1.98 0.97 -0.33 0.00 0.00 177.00 178.85 3k49 h ILE 673 N 4.37 0.73 -0.48 2.83 6.09 -1.88 0.54 117.51 129.72 3k49 h ILE 673 Ca -0.45 -0.01 0.14 0.00 -1.37 0.00 0.00 64.86 63.17 3k49 h ILE 673 Cb 1.21 0.69 -0.02 0.00 0.47 0.00 0.00 36.82 39.17 3k49 h ILE 673 CO 0.95 0.01 0.34 1.05 -3.07 0.00 0.00 178.15 177.43 3k49 h GLU 674 N 0.04 0.02 -0.00 2.19 4.11 -1.94 0.25 114.58 119.24 3k49 h GLU 674 Ca 0.27 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.70 3k49 h GLU 674 Cb 1.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3k49 h GLU 674 CO -0.01 0.01 -0.05 1.63 0.07 0.00 0.00 179.01 180.65 3k49 n LYS 675 N -4.40 0.89 -2.54 1.06 5.02 0.19 -4.30 118.16 114.08 3k49 n LYS 675 Ca 0.08 -0.26 -0.25 0.00 -2.02 0.00 0.00 58.31 55.86 3k49 n LYS 675 Cb 0.55 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 34.06 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 -0.83 4.32 0.16 -0.35 4.77 0.86 -4.88 117.00 121.06 3k49 n LEU 676 Ca 0.18 -5.10 0.03 0.00 -0.03 0.00 0.00 56.01 51.09 3k49 n LEU 676 Cb 0.24 -0.37 0.40 0.00 -2.33 0.00 0.00 43.42 41.37 3k49 n LEU 676 CO 0.21 2.18 0.84 -0.65 -1.33 0.00 0.00 177.39 178.64 3k49 h PRO 677 N 2.66 0.13 0.00 3.23 0.11 -1.75 -2.77 132.00 133.61 3k49 h PRO 677 Ca 0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3k49 h PRO 677 Cb 0.92 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3k49 h PRO 677 CO 0.81 0.34 0.00 1.97 -0.21 0.00 0.00 178.00 180.91 3k49 n PHE 678 N -4.24 0.18 0.11 0.65 1.16 -1.26 -2.35 117.46 111.72 3k49 n PHE 678 Ca -0.01 0.08 -0.05 0.00 -1.87 0.00 0.00 57.45 55.59 3k49 n PHE 678 Cb 0.30 -0.62 -0.02 0.00 -1.61 0.00 0.00 39.48 37.53 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 -0.67 1.97 2.04 -1.84 -3.03 117.51 115.97 3k49 h ILE 679 Ca 0.00 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 3k49 h ILE 679 Cb 0.23 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 3k49 h ILE 679 CO 0.00 0.00 0.14 0.25 0.00 0.00 0.00 178.15 178.54 3k49 h LEU 680 N -0.62 1.03 -2.43 1.44 5.85 -1.75 -2.20 115.31 116.63 3k49 h LEU 680 Ca -0.03 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.48 3k49 h LEU 680 Cb 0.24 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 3k49 h LEU 680 CO 0.05 1.01 0.07 0.77 -0.34 0.00 0.00 178.44 180.00 3k49 h SER 681 N 1.02 0.00 1.01 1.25 4.64 -1.61 0.23 113.55 120.09 3k49 h SER 681 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3k49 h SER 681 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3k49 h SER 681 CO 0.01 0.00 -0.46 -1.20 -0.87 0.00 0.00 176.83 174.31 3k49 n SER 682 N -3.74 0.71 0.01 4.97 7.64 -0.84 -4.16 113.62 118.20 3k49 n SER 682 Ca -0.02 0.23 0.07 0.00 1.01 0.00 0.00 58.87 60.16 3k49 n SER 682 Cb 0.17 -0.08 -0.12 0.00 -1.01 0.00 0.00 64.21 63.16 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 -2.12 0.28 -4.67 -3.43 4.32 0.77 -4.84 117.00 107.31 3k49 n LEU 683 Ca 0.04 0.11 -0.46 0.00 -0.02 0.00 0.00 56.01 55.69 3k49 n LEU 683 Cb 0.43 0.07 -0.04 0.00 -1.62 0.00 0.00 43.42 42.26 3k49 n LEU 683 CO 0.35 0.05 1.21 0.35 -1.22 0.00 0.00 177.39 178.13 3k49 n THR 684 N -2.49 0.01 0.00 -5.08 -2.24 -0.91 0.67 114.28 104.24 3k49 n THR 684 Ca -0.08 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3k49 n THR 684 Cb 0.68 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 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 3.46 3.40 0.34 3.38 0.00 -1.26 -4.85 105.19 109.67 3k49 n GLY 685 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.92 0.00 -0.26 1.61 -0.00 0.21 -4.75 115.22 110.11 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 0.10 0.00 -0.00 0.00 0.00 29.99 30.09 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 1.67 1.25 -0.00 1.59 2.04 -1.87 0.11 117.51 122.31 3k49 h ILE 687 Ca 0.00 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 3k49 h ILE 687 Cb 0.40 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3k49 h ILE 687 CO 0.00 0.32 0.00 0.22 0.00 0.00 0.00 178.15 178.69 3k49 h TYR 688 N 1.10 0.00 -0.37 1.37 3.20 -1.85 -1.66 116.97 118.76 3k49 h TYR 688 Ca 0.25 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.20 3k49 h TYR 688 Cb 0.20 -0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.39 3k49 h TYR 688 CO 0.02 0.26 -0.24 1.25 -1.64 0.00 0.00 178.16 177.81 3k49 h HIS 689 N -0.26 -0.62 -0.34 -3.82 2.76 -1.76 -1.08 115.15 110.03 3k49 h HIS 689 Ca 0.00 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3k49 h HIS 689 Cb 0.26 0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.53 3k49 h HIS 689 CO 0.01 -0.31 0.23 -0.07 -1.30 0.00 0.00 177.93 176.48 3k49 h LEU 690 N -0.18 0.39 -0.53 0.26 3.38 -0.93 -2.17 115.31 115.52 3k49 h LEU 690 Ca 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3k49 h LEU 690 Cb 0.47 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3k49 h LEU 690 CO -0.48 0.28 0.00 -1.20 0.09 0.00 0.00 178.44 177.13 3k49 n SER 691 N -4.49 0.68 -0.52 -0.43 7.64 -0.43 -1.94 113.62 114.14 3k49 n SER 691 Ca 0.02 0.64 0.07 0.00 1.01 0.00 0.00 58.87 60.62 3k49 n SER 691 Cb 0.06 -0.80 0.04 0.00 -1.01 0.00 0.00 64.21 62.51 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 -2.23 0.00 -3.18 0.44 -2.24 -0.85 -2.34 114.28 103.89 3k49 n THR 692 Ca 0.03 -0.46 -0.31 0.00 -2.27 0.00 0.00 64.05 61.04 3k49 n THR 692 Cb 0.27 1.27 -0.04 0.00 -2.10 0.00 0.00 70.33 69.73 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 -1.38 3.44 0.21 4.78 5.04 -0.82 -4.64 115.29 121.92 3k49 s HIS 693 Ca 0.16 0.95 -0.09 0.00 -1.54 0.00 0.00 55.06 54.53 3k49 s HIS 693 Cb 0.12 -2.34 0.21 0.00 0.04 0.00 0.00 32.58 30.61 3k49 s HIS 693 CO 0.24 0.10 1.85 1.03 -2.34 0.00 0.00 174.74 175.62 3k49 h SER 694 N 1.93 0.74 0.25 9.88 0.87 -1.94 -2.62 113.55 122.65 3k49 h SER 694 Ca -0.47 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 59.75 3k49 h SER 694 Cb 1.18 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 3k49 h SER 694 CO 0.66 0.51 -1.90 -1.22 -0.53 0.00 0.00 176.83 174.34 3k49 n TYR 695 N -4.66 1.19 0.22 2.24 0.53 -1.26 -4.21 117.16 111.21 3k49 n TYR 695 Ca 0.08 0.30 0.13 0.00 -1.02 0.00 0.00 57.90 57.39 3k49 n TYR 695 Cb 0.10 -1.17 0.72 0.00 -1.03 0.00 0.00 39.34 37.96 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 1.89 0.00 2.00 2.72 0.00 -1.61 -1.51 103.07 106.56 3k49 h GLY 696 Ca -0.38 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.76 3k49 h GLY 696 CO 0.09 0.00 -0.91 0.00 0.00 0.00 0.00 176.54 175.72 3k49 h ARG 698 N 0.00 0.48 -0.20 0.00 2.47 -1.48 -0.64 114.38 115.02 3k49 h ARG 698 Ca -0.01 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.53 3k49 h ARG 698 Cb 1.61 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.88 3k49 h ARG 698 CO 0.12 0.68 0.07 0.28 0.56 0.00 0.00 179.97 181.67 3k49 h VAL 699 N 0.24 1.18 -0.44 2.04 2.07 -1.45 -1.31 116.25 118.58 3k49 h VAL 699 Ca 0.07 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.12 3k49 h VAL 699 Cb 0.48 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 3k49 h VAL 699 CO 0.02 0.17 0.06 0.40 0.02 0.00 0.00 177.57 178.25 3k49 h ILE 700 N 0.15 0.74 -0.90 4.57 1.08 -1.20 0.31 117.51 122.27 3k49 h ILE 700 Ca 0.06 -0.07 0.09 0.00 -0.39 0.00 0.00 64.86 64.56 3k49 h ILE 700 Cb 0.21 0.53 -0.06 0.00 -3.07 0.00 0.00 36.82 34.43 3k49 h ILE 700 CO -0.00 0.03 0.58 1.56 -0.69 0.00 0.00 178.15 179.63 3k49 h GLN 701 N 0.19 0.89 -0.13 2.37 4.20 -0.88 -0.55 115.11 121.20 3k49 h GLN 701 Ca 0.22 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 3k49 h GLN 701 Cb 0.28 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3k49 h GLN 701 CO -0.30 0.59 -0.31 0.00 -0.67 0.00 0.00 178.83 178.13 3k49 h ARG 702 N 0.92 0.43 -0.85 1.46 2.47 0.16 -2.13 114.38 116.84 3k49 h ARG 702 Ca 0.41 -0.30 0.06 0.00 -1.26 0.00 0.00 59.98 58.89 3k49 h ARG 702 Cb 0.36 0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.67 3k49 h ARG 702 CO -0.17 0.91 0.53 -0.07 0.56 0.00 0.00 179.97 181.73 3k49 h LEU 703 N 0.02 0.83 -0.22 3.04 3.38 0.01 -0.33 115.31 122.05 3k49 h LEU 703 Ca -0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3k49 h LEU 703 Cb 0.92 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3k49 h LEU 703 CO 0.07 0.53 0.10 -0.07 0.09 0.00 0.00 178.44 179.16 3k49 h LEU 704 N 0.97 0.29 -0.63 1.67 3.38 -1.13 0.24 115.31 120.10 3k49 h LEU 704 Ca 0.37 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 3k49 h LEU 704 Cb 0.16 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3k49 h LEU 704 CO -0.17 0.34 0.26 -0.08 0.09 0.00 0.00 178.44 178.88 3k49 h GLU 705 N 0.22 0.94 -0.01 1.13 4.81 -0.65 -3.21 114.58 117.82 3k49 h GLU 705 Ca 0.07 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3k49 h GLU 705 Cb 0.13 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3k49 h GLU 705 CO -0.01 0.79 -0.70 1.19 -0.73 0.00 0.00 179.01 179.55 3k49 n PHE 706 N -4.44 0.00 -2.20 0.92 3.01 -0.21 -5.00 117.46 109.55 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 0.17 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.63 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 -2.67 2.05 0.87 1.37 0.00 0.85 -4.65 107.32 105.14 3k49 s GLY 707 Ca 0.13 0.25 -0.11 0.00 0.00 0.00 0.00 44.72 45.00 3k49 s GLY 707 CO 0.69 0.54 1.11 -1.35 0.00 0.00 0.00 173.10 174.10 3k49 s SER 708 N -3.04 3.53 0.43 1.64 1.04 -1.26 -4.78 113.70 111.26 3k49 s SER 708 Ca 0.61 1.93 0.18 0.00 0.48 0.00 0.00 55.95 59.15 3k49 s SER 708 Cb -0.13 -2.50 1.11 0.00 0.10 0.00 0.00 66.02 64.60 3k49 s SER 708 CO 0.36 -2.67 1.86 -1.28 0.98 0.00 0.00 173.24 172.49 3k49 h SER 709 N -1.57 0.38 -0.15 7.02 0.87 -1.97 -1.09 113.55 117.04 3k49 h SER 709 Ca -0.45 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.03 3k49 h SER 709 Cb 1.26 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 3k49 h SER 709 CO 0.47 0.15 -0.37 -0.33 -0.53 0.00 0.00 176.83 176.23 3k49 h GLU 710 N 0.38 0.52 -0.46 2.24 3.07 -1.99 -1.89 114.58 116.44 3k49 h GLU 710 Ca 0.46 -0.35 0.07 0.00 -0.50 0.00 0.00 59.36 59.04 3k49 h GLU 710 Cb 1.18 0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 29.08 3k49 h GLU 710 CO -0.16 0.97 0.11 -0.44 -1.40 0.00 0.00 179.01 178.08 3k49 h ASP 711 N 0.14 0.04 -0.52 1.42 3.32 -1.62 0.01 116.42 119.20 3k49 h ASP 711 Ca -0.00 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3k49 h ASP 711 Cb 0.98 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 3k49 h ASP 711 CO 0.08 0.05 0.30 1.56 -1.72 0.00 0.00 179.24 179.51 3k49 h GLN 712 N 0.25 0.74 -0.13 3.56 4.20 -1.16 -1.64 115.11 120.94 3k49 h GLN 712 Ca 0.23 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3k49 h GLN 712 Cb 0.28 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 3k49 h GLN 712 CO -0.28 0.54 0.02 1.49 -0.67 0.00 0.00 178.83 179.93 3k49 h GLU 713 N 0.75 0.21 -0.16 1.46 4.81 -0.44 -0.73 114.58 120.49 3k49 h GLU 713 Ca 0.19 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3k49 h GLU 713 Cb 0.01 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3k49 h GLU 713 CO -0.03 0.41 0.11 1.03 -0.73 0.00 0.00 179.01 179.80 3k49 h SER 714 N -0.02 0.06 0.14 1.04 0.87 -0.50 -1.12 113.55 114.01 3k49 h SER 714 Ca 0.04 -0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.33 3k49 h SER 714 Cb 0.31 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3k49 h SER 714 CO 0.00 0.04 -1.30 0.40 -0.53 0.00 0.00 176.83 175.44 3k49 h ILE 715 N 0.06 1.16 0.00 2.23 2.04 -1.12 -3.34 117.51 118.56 3k49 h ILE 715 Ca 0.07 -2.47 -0.05 0.00 1.00 0.00 0.00 64.86 63.41 3k49 h ILE 715 Cb 0.21 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 3k49 h ILE 715 CO -0.01 0.73 -0.25 -0.07 0.00 0.00 0.00 178.15 178.56 3k49 h LEU 716 N -0.24 0.00 -0.95 1.44 3.38 -0.84 -2.78 115.31 115.32 3k49 h LEU 716 Ca -0.26 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 3k49 h LEU 716 Cb 1.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 3k49 h LEU 716 CO 0.11 0.25 -0.29 0.78 0.09 0.00 0.00 178.44 179.38 3k49 h ASN 717 N 0.00 0.42 0.71 -0.43 2.35 -1.34 -1.01 115.58 116.29 3k49 h ASN 717 Ca -0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 3k49 h ASN 717 Cb 0.73 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3k49 h ASN 717 CO 0.03 0.70 0.00 -0.62 -1.65 0.00 0.00 177.43 175.90 3k49 n GLU 718 N -4.10 0.28 -0.02 0.81 1.02 -1.05 -3.75 120.64 113.83 3k49 n GLU 718 Ca -0.01 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.15 3k49 n GLU 718 Cb 0.42 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.26 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 -1.36 0.00 0.00 -4.62 4.77 -1.04 -4.50 117.00 110.25 3k49 n LEU 719 Ca 0.12 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.18 3k49 n LEU 719 Cb 0.27 0.08 0.46 0.00 -2.33 0.00 0.00 43.42 41.91 3k49 n LEU 719 CO 0.24 0.08 0.72 2.29 -1.33 0.00 0.00 177.39 179.40 3k49 n LYS 720 N -2.04 0.39 -0.08 3.23 2.85 -0.41 -1.20 118.16 120.90 3k49 n LYS 720 Ca -0.07 0.06 0.10 0.00 -1.05 0.00 0.00 58.31 57.35 3k49 n LYS 720 Cb 0.46 -1.50 0.13 0.00 -0.65 0.00 0.00 35.03 33.48 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 -1.13 2.92 -0.34 -5.58 10.43 -1.26 -4.61 116.55 116.98 3k49 n ASP 721 Ca 0.10 -1.87 0.03 0.00 2.57 0.00 0.00 54.79 55.62 3k49 n ASP 721 Cb 0.09 -0.11 0.04 0.00 1.84 0.00 0.00 41.12 42.98 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 1.17 0.00 -0.35 1.24 3.72 -0.34 -4.88 117.46 118.02 3k49 n PHE 722 Ca 0.14 -0.27 0.06 0.00 -0.05 0.00 0.00 57.45 57.34 3k49 n PHE 722 Cb 0.52 -0.07 0.23 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 4.72 0.91 -0.84 4.37 2.04 -1.81 -0.05 117.51 126.85 3k49 h ILE 723 Ca 0.00 -0.32 0.10 0.00 1.00 0.00 0.00 64.86 65.63 3k49 h ILE 723 Cb 1.24 -0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 3k49 h ILE 723 CO 0.00 0.17 0.49 -0.65 0.00 0.00 0.00 178.15 178.16 3k49 h PRO 724 N 0.94 0.79 -0.12 2.37 0.11 -1.93 0.43 132.00 134.58 3k49 h PRO 724 Ca 0.48 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.43 3k49 h PRO 724 Cb 0.48 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3k49 h PRO 724 CO -0.27 0.52 -0.35 1.88 -0.21 0.00 0.00 178.00 179.57 3k49 h TYR 725 N 0.81 0.59 -0.55 0.65 -1.99 -1.43 -3.23 116.97 111.82 3k49 h TYR 725 Ca 0.41 -0.23 0.04 0.00 2.00 0.00 0.00 58.73 60.95 3k49 h TYR 725 Cb 0.37 -0.10 -0.04 0.00 2.00 0.00 0.00 36.73 38.96 3k49 h TYR 725 CO -0.06 0.97 0.30 -0.07 -0.00 0.00 0.00 178.16 179.30 3k49 h LEU 726 N 0.04 0.45 -1.74 3.88 3.38 -1.12 -2.05 115.31 118.15 3k49 h LEU 726 Ca -0.01 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.05 3k49 h LEU 726 Cb 0.97 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 3k49 h LEU 726 CO 0.08 0.31 0.31 0.40 0.09 0.00 0.00 178.44 179.62 3k49 h ILE 727 N 0.58 0.93 -0.02 1.22 2.04 -0.94 -1.17 117.51 120.16 3k49 h ILE 727 Ca 0.24 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.99 3k49 h ILE 727 Cb 0.11 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3k49 h ILE 727 CO -0.15 0.06 -0.30 0.00 0.00 0.00 0.00 178.15 177.76 3k49 n GLN 728 N -4.47 1.61 -2.86 2.37 6.02 -0.97 -3.67 117.38 115.41 3k49 n GLN 728 Ca 0.06 -1.31 -0.34 0.00 -0.01 0.00 0.00 57.00 55.40 3k49 n GLN 728 Cb 0.30 -1.46 -0.07 0.00 1.02 0.00 0.00 30.24 30.03 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 -2.25 6.99 0.36 1.08 3.68 -0.81 -4.74 116.67 120.97 3k49 s ASP 729 Ca 0.21 1.65 0.27 0.00 2.13 0.00 0.00 52.55 56.81 3k49 s ASP 729 Cb 0.18 -2.52 1.19 0.00 -1.45 0.00 0.00 42.92 40.32 3k49 s ASP 729 CO 0.46 -0.28 1.80 0.06 0.13 0.00 0.00 175.17 177.35 3k49 h GLN 730 N 2.21 0.00 0.00 4.34 3.07 -1.92 -2.93 115.11 119.88 3k49 h GLN 730 Ca -0.48 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.21 3k49 h GLN 730 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.73 3k49 h GLN 730 CO 0.62 0.00 -1.16 0.66 0.09 0.00 0.00 178.83 179.04 3k49 n TYR 731 N -2.47 0.00 -0.25 0.06 0.53 -1.26 -4.74 117.16 109.03 3k49 n TYR 731 Ca 0.01 0.00 0.26 0.00 -1.02 0.00 0.00 57.90 57.15 3k49 n TYR 731 Cb 0.20 -0.10 0.63 0.00 -1.03 0.00 0.00 39.34 39.03 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 0.01 0.49 2.00 2.72 0.00 -1.57 -1.31 103.07 105.41 3k49 h GLY 732 Ca -0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3k49 h GLY 732 CO -0.03 -0.03 -0.07 3.45 0.00 0.00 0.00 176.54 179.85 3k49 h ASN 733 N 0.19 0.00 0.08 0.19 7.08 -1.02 -1.07 115.58 121.03 3k49 h ASN 733 Ca 0.50 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 53.52 3k49 h ASN 733 Cb 1.63 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.87 3k49 h ASN 733 CO -0.11 0.07 -0.76 1.88 -2.08 0.00 0.00 177.43 176.42 3k49 h TYR 734 N 0.00 0.79 -0.43 4.14 -1.99 -1.53 -1.83 116.97 116.12 3k49 h TYR 734 Ca -0.00 -0.35 -0.05 0.00 2.00 0.00 0.00 58.73 60.33 3k49 h TYR 734 Cb 0.24 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 38.83 3k49 h TYR 734 CO 0.00 1.14 0.04 0.28 -0.00 0.00 0.00 178.16 179.63 3k49 h VAL 735 N 0.39 1.21 -0.27 -2.88 2.07 -1.29 -0.85 116.25 114.64 3k49 h VAL 735 Ca -0.04 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 3k49 h VAL 735 Cb 1.36 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3k49 h VAL 735 CO 0.14 0.29 0.01 0.40 0.02 0.00 0.00 177.57 178.44 3k49 h ILE 736 N 0.64 1.25 -1.00 4.57 1.08 -1.33 -2.31 117.51 120.41 3k49 h ILE 736 Ca 0.14 -0.88 0.01 0.00 -0.39 0.00 0.00 64.86 63.73 3k49 h ILE 736 Cb 0.33 1.30 -0.05 0.00 -3.07 0.00 0.00 36.82 35.33 3k49 h ILE 736 CO 0.01 0.28 0.66 1.56 -0.69 0.00 0.00 178.15 179.97 3k49 h GLN 737 N 0.26 1.32 -0.62 2.37 4.20 -0.91 -0.08 115.11 121.64 3k49 h GLN 737 Ca 0.08 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3k49 h GLN 737 Cb 0.40 -0.30 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 3k49 h GLN 737 CO 0.01 0.88 0.25 -0.92 -0.67 0.00 0.00 178.83 178.38 3k49 h TYR 738 N 1.36 0.95 -0.66 2.96 3.20 -1.05 -2.10 116.97 121.62 3k49 h TYR 738 Ca 0.37 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 3k49 h TYR 738 Cb -0.15 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 37.81 3k49 h TYR 738 CO 0.00 0.75 0.29 0.28 -1.64 0.00 0.00 178.16 177.84 3k49 h VAL 739 N 0.87 1.23 -0.37 1.81 2.07 -0.83 -3.01 116.25 118.02 3k49 h VAL 739 Ca 0.21 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3k49 h VAL 739 Cb 0.20 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3k49 h VAL 739 CO -0.02 0.28 0.23 -0.07 0.02 0.00 0.00 177.57 178.01 3k49 h LEU 740 N 0.93 0.43 -1.13 2.57 3.38 -0.66 -2.78 115.31 118.05 3k49 h LEU 740 Ca 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3k49 h LEU 740 Cb 0.16 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3k49 h LEU 740 CO -0.02 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.83 3k49 n GLN 741 N -4.47 1.75 -1.37 1.13 10.64 -0.82 -4.71 117.38 119.53 3k49 n GLN 741 Ca 0.02 -1.12 -0.31 0.00 -1.83 0.00 0.00 57.00 53.76 3k49 n GLN 741 Cb 0.07 -1.43 0.08 0.00 -0.86 0.00 0.00 30.24 28.10 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 -1.85 2.46 0.27 2.61 -1.52 -1.05 -5.07 119.66 115.51 3k49 s GLN 742 Ca 0.34 1.13 0.07 0.00 -1.95 0.00 0.00 55.36 54.95 3k49 s GLN 742 Cb 0.19 -1.92 -0.03 0.00 -0.22 0.00 0.00 33.01 31.02 3k49 s GLN 742 CO 0.29 -1.49 0.25 -0.51 -0.25 0.00 0.00 175.29 173.58 3k49 s ASP 743 N -3.44 5.62 0.00 5.90 1.01 -1.26 -5.00 116.67 119.50 3k49 s ASP 743 Ca 0.61 -0.24 0.00 0.00 0.71 0.00 0.00 52.55 53.62 3k49 s ASP 743 Cb -0.17 -1.39 0.00 0.00 1.01 0.00 0.00 42.92 42.38 3k49 s ASP 743 CO 0.55 -0.12 0.50 0.00 0.21 0.00 0.00 175.17 176.31 3k49 n GLN 744 N -1.27 0.70 0.00 8.23 6.02 -1.26 -2.05 117.38 127.75 3k49 n GLN 744 Ca -0.07 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.05 3k49 n GLN 744 Cb 0.58 -1.20 0.26 0.00 1.02 0.00 0.00 30.24 30.90 3k49 n GLN 744 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3k49 n PHE 745 N -0.12 0.00 -0.88 1.08 3.72 -1.26 -4.92 117.46 115.08 3k49 n PHE 745 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3k49 n PHE 745 Cb 0.10 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 3k49 n PHE 745 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3k49 n THR 746 N 0.58 0.00 -1.59 4.37 -2.24 -0.87 -5.08 114.28 109.45 3k49 n THR 746 Ca 0.15 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.64 3k49 n THR 746 Cb 0.48 -1.76 0.17 0.00 -2.10 0.00 0.00 70.33 67.11 3k49 n THR 746 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3k49 s ASN 747 N -1.00 2.86 0.42 3.42 2.20 -1.26 -4.91 114.94 116.66 3k49 s ASN 747 Ca 0.00 0.64 0.16 0.00 -0.94 0.00 0.00 52.86 52.72 3k49 s ASN 747 Cb 0.00 -0.96 0.91 0.00 -2.00 0.00 0.00 41.25 39.21 3k49 s ASN 747 CO 0.00 -2.93 1.91 0.07 -2.94 0.00 0.00 177.10 173.21 3k49 h LYS 748 N -1.76 0.00 -0.07 3.55 2.10 -1.98 -3.06 116.57 115.35 3k49 h LYS 748 Ca -0.47 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 57.96 3k49 h LYS 748 Cb 1.29 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.64 3k49 h LYS 748 CO 0.48 0.28 -0.81 1.49 -2.00 0.00 0.00 179.45 178.89 3k49 h GLU 749 N 0.00 0.66 0.07 0.07 4.57 -1.95 -2.75 114.58 115.25 3k49 h GLU 749 Ca -0.00 -0.63 0.00 0.00 -1.18 0.00 0.00 59.36 57.56 3k49 h GLU 749 Cb 0.52 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 3k49 h GLU 749 CO 0.04 1.23 -0.08 0.52 -1.18 0.00 0.00 179.01 179.54 3k49 h MET 750 N 0.32 -0.16 -0.31 1.92 2.86 -1.92 -1.04 114.93 116.61 3k49 h MET 750 Ca -0.08 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.63 3k49 h MET 750 Cb 1.46 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 33.09 3k49 h MET 750 CO 0.16 -0.11 -0.12 0.28 1.06 0.00 0.00 176.91 178.19 3k49 h VAL 751 N -0.17 0.61 -0.31 -2.22 2.07 -1.56 0.48 116.25 115.15 3k49 h VAL 751 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3k49 h VAL 751 Cb 0.17 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3k49 h VAL 751 CO -0.03 0.00 0.18 0.44 0.02 0.00 0.00 177.57 178.18 3k49 h ASP 752 N -0.06 0.37 -0.28 0.57 3.32 -1.37 -2.08 116.42 116.90 3k49 h ASP 752 Ca 0.15 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 3k49 h ASP 752 Cb 0.29 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3k49 h ASP 752 CO -0.35 0.32 -0.11 0.40 -1.72 0.00 0.00 179.24 177.78 3k49 h ILE 753 N 0.39 1.25 -0.32 0.35 1.08 -0.62 -1.85 117.51 117.80 3k49 h ILE 753 Ca 0.11 -1.12 -0.03 0.00 -0.39 0.00 0.00 64.86 63.43 3k49 h ILE 753 Cb 0.02 1.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.82 3k49 h ILE 753 CO -0.02 0.38 0.06 0.50 -0.69 0.00 0.00 178.15 178.37 3k49 h LYS 754 N 0.63 0.47 -0.13 2.37 3.64 0.12 -2.10 116.57 121.58 3k49 h LYS 754 Ca 0.11 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3k49 h LYS 754 Cb 0.55 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3k49 h LYS 754 CO 0.03 0.46 -0.11 0.37 -2.27 0.00 0.00 179.45 177.94 3k49 h GLN 755 N 0.46 0.29 0.00 1.90 5.75 -0.66 -2.53 115.11 120.33 3k49 h GLN 755 Ca 0.11 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3k49 h GLN 755 Cb 0.22 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 3k49 h GLN 755 CO -0.00 0.68 -0.00 0.93 -2.65 0.00 0.00 178.83 177.78 3k49 h GLU 756 N -0.08 0.00 0.00 1.69 5.08 -1.14 0.39 114.58 120.51 3k49 h GLU 756 Ca 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3k49 h GLU 756 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3k49 h GLU 756 CO 0.03 0.00 -0.00 0.82 -1.00 0.00 0.00 179.01 178.86 3k49 h ILE 757 N 0.00 1.64 -0.13 3.13 2.04 -1.28 -1.40 117.51 121.50 3k49 h ILE 757 Ca -0.00 -1.90 0.04 0.00 1.00 0.00 0.00 64.86 64.00 3k49 h ILE 757 Cb 0.01 2.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.97 3k49 h ILE 757 CO 0.00 0.49 -0.09 0.40 0.00 0.00 0.00 178.15 178.95 3k49 h ILE 758 N -0.81 0.72 -0.97 -0.67 1.08 -0.96 0.16 117.51 116.05 3k49 h ILE 758 Ca -0.00 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.51 3k49 h ILE 758 Cb 0.81 0.72 -0.06 0.00 -3.07 0.00 0.00 36.82 35.22 3k49 h ILE 758 CO 0.00 0.00 0.63 -0.33 -0.69 0.00 0.00 178.15 177.76 3k49 h GLU 759 N -0.10 1.18 -0.43 2.37 5.08 -0.31 0.59 114.58 122.97 3k49 h GLU 759 Ca 0.08 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 3k49 h GLU 759 Cb 0.22 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3k49 h GLU 759 CO -0.20 0.78 -0.26 1.15 -1.00 0.00 0.00 179.01 179.48 3k49 h THR 760 N 1.22 1.27 -0.30 1.13 2.02 -0.72 -1.56 112.91 115.97 3k49 h THR 760 Ca 0.39 -1.42 -0.13 0.00 0.77 0.00 0.00 66.41 66.02 3k49 h THR 760 Cb 0.02 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3k49 h THR 760 CO -0.13 0.48 -0.33 0.58 0.37 0.00 0.00 175.52 176.49 3k49 h VAL 761 N 0.78 1.28 -0.15 3.16 2.07 0.14 -2.96 116.25 120.57 3k49 h VAL 761 Ca 0.09 -1.47 0.02 0.00 0.82 0.00 0.00 66.70 66.16 3k49 h VAL 761 Cb 0.83 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3k49 h VAL 761 CO 0.07 0.47 0.04 0.00 0.02 0.00 0.00 177.57 178.18 3k49 h ALA 762 N 1.08 0.16 0.00 1.67 0.00 0.47 -0.60 119.26 122.04 3k49 h ALA 762 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3k49 h ALA 762 Cb 0.84 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3k49 h ALA 762 CO 0.07 -0.40 0.00 0.09 0.00 0.00 0.00 179.25 179.01 3k49 n ASN 763 N -5.07 0.34 -0.47 0.00 3.02 -0.61 -3.17 115.26 109.30 3k49 n ASN 763 Ca -0.04 0.64 0.02 0.00 -0.03 0.00 0.00 54.58 55.17 3k49 n ASN 763 Cb 0.07 -0.69 0.03 0.00 -0.61 0.00 0.00 39.78 38.57 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 -1.93 0.44 -0.27 6.41 3.02 -0.91 -4.95 115.26 117.07 3k49 n ASN 764 Ca 0.00 -2.20 0.04 0.00 -0.03 0.00 0.00 54.58 52.39 3k49 n ASN 764 Cb 0.07 -0.24 0.12 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 5.79 0.24 -0.16 2.41 2.07 -1.08 -1.41 116.25 124.10 3k49 h VAL 765 Ca -0.01 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 3k49 h VAL 765 Cb 1.35 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3k49 h VAL 765 CO 0.00 0.00 -0.15 0.58 0.02 0.00 0.00 177.57 178.03 3k49 h VAL 766 N 0.03 1.34 -0.52 2.57 2.07 -1.90 -2.04 116.25 117.80 3k49 h VAL 766 Ca 0.40 -1.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 3k49 h VAL 766 Cb 0.65 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 3k49 h VAL 766 CO -0.77 0.38 0.05 -0.08 0.02 0.00 0.00 177.57 177.17 3k49 h GLU 767 N 0.04 0.89 -0.33 1.57 4.81 -1.69 -2.69 114.58 117.17 3k49 h GLU 767 Ca 0.03 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 3k49 h GLU 767 Cb 0.67 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 3k49 h GLU 767 CO 0.04 0.89 0.16 1.88 -0.73 0.00 0.00 179.01 181.25 3k49 h TYR 768 N 0.76 0.48 -0.39 0.92 0.99 -1.41 -2.39 116.97 115.93 3k49 h TYR 768 Ca 0.15 -0.02 0.11 0.00 2.00 0.00 0.00 58.73 60.97 3k49 h TYR 768 Cb 0.46 -0.15 -0.02 0.00 1.00 0.00 0.00 36.73 38.03 3k49 h TYR 768 CO 0.03 0.42 0.39 0.77 -0.00 0.00 0.00 178.16 179.77 3k49 h SER 769 N 0.40 0.00 -0.22 3.88 0.02 -1.12 0.25 113.55 116.76 3k49 h SER 769 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3k49 h SER 769 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3k49 h SER 769 CO -0.01 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.97 3k49 n LYS 770 N -3.81 2.19 -3.63 3.45 5.02 -0.92 -1.17 118.16 119.28 3k49 n LYS 770 Ca 0.07 -1.77 -0.36 0.00 -2.02 0.00 0.00 58.31 54.23 3k49 n LYS 770 Cb 0.57 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 34.03 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 -1.73 3.40 0.21 2.13 2.46 0.81 -4.81 115.29 117.76 3k49 s HIS 771 Ca 0.35 0.41 -0.13 0.00 0.47 0.00 0.00 55.06 56.16 3k49 s HIS 771 Cb 0.21 -2.27 0.24 0.00 -0.13 0.00 0.00 32.58 30.63 3k49 s HIS 771 CO 0.30 0.20 1.64 -0.22 -2.47 0.00 0.00 174.74 174.19 3k49 h LYS 772 N 6.90 0.02 0.10 2.88 3.64 -1.89 -0.00 116.57 128.22 3k49 h LYS 772 Ca -0.40 -0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 58.72 3k49 h LYS 772 Cb 1.16 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3k49 h LYS 772 CO 0.74 0.02 -1.30 0.74 -2.27 0.00 0.00 179.45 177.37 3k49 h PHE 773 N 0.02 0.39 0.00 1.91 0.05 -1.90 -3.38 116.94 114.04 3k49 h PHE 773 Ca 0.30 -0.29 -0.04 0.00 3.82 0.00 0.00 57.97 61.77 3k49 h PHE 773 Cb 0.47 -0.02 -0.01 0.00 2.00 0.00 0.00 35.95 38.40 3k49 h PHE 773 CO -0.47 1.51 -0.19 0.00 -0.18 0.00 0.00 178.31 178.98 3k49 h ALA 774 N -0.07 1.03 -0.68 2.45 0.00 -1.61 -2.87 119.26 117.51 3k49 h ALA 774 Ca -0.28 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.51 3k49 h ALA 774 Cb 1.68 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 3k49 h ALA 774 CO 0.04 0.23 0.45 0.66 0.00 0.00 0.00 179.25 180.63 3k49 h SER 775 N 0.00 0.62 -0.04 0.00 4.64 -0.35 -0.94 113.55 117.48 3k49 h SER 775 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3k49 h SER 775 Cb 0.69 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3k49 h SER 775 CO 0.02 0.41 -0.22 0.78 -0.87 0.00 0.00 176.83 176.96 3k49 h ASN 776 N 0.71 0.42 0.32 4.97 2.35 -1.72 -2.68 115.58 119.96 3k49 h ASN 776 Ca 0.29 -0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.78 3k49 h ASN 776 Cb 0.23 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3k49 h ASN 776 CO -0.09 0.65 -0.51 0.58 -1.65 0.00 0.00 177.43 176.41 3k49 h VAL 777 N 0.39 1.35 -0.46 2.81 2.07 -1.30 -2.50 116.25 118.60 3k49 h VAL 777 Ca 0.06 -1.77 -0.07 0.00 0.82 0.00 0.00 66.70 65.74 3k49 h VAL 777 Cb 0.60 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 3k49 h VAL 777 CO 0.04 0.52 -0.02 0.58 0.02 0.00 0.00 177.57 178.72 3k49 h VAL 778 N 0.17 1.24 -0.55 2.57 2.07 -1.10 -1.03 116.25 119.62 3k49 h VAL 778 Ca 0.01 -1.01 -0.09 0.00 0.82 0.00 0.00 66.70 66.42 3k49 h VAL 778 Cb 0.97 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3k49 h VAL 778 CO 0.08 0.35 -0.01 -0.33 0.02 0.00 0.00 177.57 177.69 3k49 h GLU 779 N 0.72 0.98 -0.15 1.57 5.08 -1.22 -2.25 114.58 119.31 3k49 h GLU 779 Ca 0.14 -0.31 -0.15 0.00 -1.00 0.00 0.00 59.36 58.03 3k49 h GLU 779 Cb 0.46 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3k49 h GLU 779 CO 0.02 0.99 -0.53 0.87 -1.00 0.00 0.00 179.01 179.35 3k49 h LYS 780 N 0.86 0.45 0.15 2.33 1.79 -1.34 -0.67 116.57 120.14 3k49 h LYS 780 Ca 0.16 -0.27 0.02 0.00 -2.18 0.00 0.00 60.65 58.37 3k49 h LYS 780 Cb 0.55 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.19 3k49 h LYS 780 CO 0.03 0.87 -0.31 0.77 -1.08 0.00 0.00 179.45 179.73 3k49 h SER 781 N 0.35 -0.89 1.47 0.86 0.02 -0.85 0.38 113.55 114.89 3k49 h SER 781 Ca 0.01 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3k49 h SER 781 Cb 1.05 0.33 -0.00 0.00 0.14 0.00 0.00 62.40 63.92 3k49 h SER 781 CO 0.09 -0.41 -0.11 0.16 -1.14 0.00 0.00 176.83 175.43 3k49 h ILE 782 N -0.55 0.21 0.18 3.27 3.07 -1.35 0.10 117.51 122.44 3k49 h ILE 782 Ca 0.02 -1.05 -0.24 0.00 1.55 0.00 0.00 64.86 65.15 3k49 h ILE 782 Cb 0.57 1.88 0.03 0.00 -0.27 0.00 0.00 36.82 39.02 3k49 h ILE 782 CO -0.16 0.11 -1.03 0.25 -1.05 0.00 0.00 178.15 176.26 3k49 h LEU 783 N 0.00 0.60 -1.11 0.16 5.85 -0.65 -3.39 115.31 116.77 3k49 h LEU 783 Ca -0.00 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 57.78 3k49 h LEU 783 Cb 0.87 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3k49 h LEU 783 CO 0.01 1.50 -0.14 -1.22 -0.34 0.00 0.00 178.44 178.25 3k49 n TYR 784 N -3.99 0.00 -2.25 1.25 4.01 0.13 -5.00 117.16 111.31 3k49 n TYR 784 Ca -0.15 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.25 3k49 n TYR 784 Cb 0.91 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.94 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 -1.33 2.42 1.22 2.72 0.00 0.35 -4.92 107.32 107.78 3k49 s GLY 785 Ca 0.12 0.62 -0.15 0.00 0.00 0.00 0.00 44.72 45.31 3k49 s GLY 785 CO 0.24 0.95 1.01 -1.35 0.00 0.00 0.00 173.10 173.96 3k49 s SER 786 N -2.17 0.59 0.17 1.64 1.04 -1.26 -4.61 113.70 109.09 3k49 s SER 786 Ca 0.68 1.29 -0.22 0.00 0.48 0.00 0.00 55.95 58.18 3k49 s SER 786 Cb -0.19 -1.98 0.08 0.00 0.10 0.00 0.00 66.02 64.02 3k49 s SER 786 CO 0.29 -4.41 1.60 0.07 0.98 0.00 0.00 173.24 171.76 3k49 h LYS 787 N -2.77 -0.22 0.01 4.02 5.09 -1.99 -0.62 116.57 120.09 3k49 h LYS 787 Ca -0.58 0.01 -0.00 0.00 0.09 0.00 0.00 60.65 60.18 3k49 h LYS 787 Cb 1.34 0.05 0.00 0.00 0.10 0.00 0.00 32.23 33.72 3k49 h LYS 787 CO 0.47 -0.14 -0.01 -0.97 -2.09 0.00 0.00 179.45 176.71 3k49 h ASN 788 N -0.22 -0.01 -0.95 7.07 -0.73 -1.99 -2.23 115.58 116.50 3k49 h ASN 788 Ca 0.19 -0.27 0.15 0.00 1.87 0.00 0.00 56.30 58.24 3k49 h ASN 788 Cb 0.53 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 39.04 3k49 h ASN 788 CO -0.56 0.27 0.60 1.56 -0.37 0.00 0.00 177.43 178.93 3k49 h GLN 789 N -0.29 0.76 -0.28 6.67 4.20 -1.85 0.99 115.11 125.30 3k49 h GLN 789 Ca -0.00 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 3k49 h GLN 789 Cb 0.29 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 3k49 h GLN 789 CO 0.00 0.50 -0.29 -0.22 -0.67 0.00 0.00 178.83 178.15 3k49 h LYS 790 N 0.78 0.70 -0.17 1.46 3.64 -0.93 -2.78 116.57 119.26 3k49 h LYS 790 Ca 0.50 -0.37 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 3k49 h LYS 790 Cb 0.73 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 3k49 h LYS 790 CO -0.26 0.99 -0.40 -0.44 -2.27 0.00 0.00 179.45 177.06 3k49 h ASP 791 N 0.44 0.41 -1.01 4.20 3.32 -0.73 -1.11 116.42 121.94 3k49 h ASP 791 Ca 0.04 -0.17 0.11 0.00 0.02 0.00 0.00 57.03 57.03 3k49 h ASP 791 Cb 0.86 -0.11 -0.08 0.00 0.22 0.00 0.00 39.33 40.22 3k49 h ASP 791 CO 0.07 0.77 0.64 0.25 -1.72 0.00 0.00 179.24 179.25 3k49 h LEU 792 N 0.32 0.95 0.19 1.55 5.85 -0.70 -0.11 115.31 123.37 3k49 h LEU 792 Ca 0.03 0.04 -0.30 0.00 0.84 0.00 0.00 57.88 58.50 3k49 h LEU 792 Cb 0.85 -0.15 0.03 0.00 0.37 0.00 0.00 40.66 41.76 3k49 h LEU 792 CO 0.07 0.52 -1.28 0.40 -0.34 0.00 0.00 178.44 177.82 3k49 h ILE 793 N 1.03 1.33 0.00 4.05 2.04 -1.15 -3.34 117.51 121.47 3k49 h ILE 793 Ca 0.49 -2.58 -0.14 0.00 1.00 0.00 0.00 64.86 63.63 3k49 h ILE 793 Cb 0.43 2.97 -0.02 0.00 -0.74 0.00 0.00 36.82 39.46 3k49 h ILE 793 CO -0.25 0.77 -0.65 0.40 0.00 0.00 0.00 178.15 178.42 3k49 h ILE 794 N 0.08 1.42 0.00 -0.67 2.04 -1.00 -2.65 117.51 116.73 3k49 h ILE 794 Ca -0.21 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.39 3k49 h ILE 794 Cb 1.99 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 40.30 3k49 h ILE 794 CO 0.24 0.63 0.00 -1.54 0.00 0.00 0.00 178.15 177.49 3k49 n SER 795 N -3.70 0.00 0.07 1.72 3.41 -0.07 -0.98 113.62 114.07 3k49 n SER 795 Ca -0.01 -0.02 0.10 0.00 -0.26 0.00 0.00 58.87 58.69 3k49 n SER 795 Cb 0.66 -0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.16 0.62 -0.01 4.33 4.76 -1.00 -4.45 118.16 121.25 3k49 n LYS 796 Ca 0.05 0.04 0.01 0.00 -2.87 0.00 0.00 58.31 55.54 3k49 n LYS 796 Cb 0.05 -1.74 -0.05 0.00 -1.84 0.00 0.00 35.03 31.44 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 -2.58 0.13 -1.81 -0.18 5.41 -0.15 -4.90 119.36 115.27 3k49 n ILE 797 Ca -0.02 -0.18 -0.42 0.00 1.00 0.00 0.00 62.75 63.13 3k49 n ILE 797 Cb 0.58 -0.03 -0.03 0.00 -0.71 0.00 0.00 39.64 39.45 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 -3.76 4.38 0.30 1.39 1.43 -0.30 -4.38 118.68 117.74 3k49 s LEU 798 Ca -0.03 2.64 -0.30 0.00 -1.03 0.00 0.00 54.13 55.42 3k49 s LEU 798 Cb 0.03 -3.57 -0.12 0.00 0.03 0.00 0.00 46.19 42.57 3k49 s LEU 798 CO 0.26 -0.95 1.58 -0.81 0.23 0.00 0.00 176.35 176.67 3k49 n PRO 799 N 5.50 2.68 -0.09 1.29 -0.04 -1.26 -4.90 135.00 138.18 3k49 n PRO 799 Ca 0.17 0.95 0.16 0.00 -0.04 0.00 0.00 63.50 64.74 3k49 n PRO 799 Cb 0.39 -2.73 0.56 0.00 -0.04 0.00 0.00 33.50 31.68 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 4.66 0.27 -3.12 0.54 3.08 -1.94 -3.46 114.38 114.43 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 -0.01 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 -6.10 0.09 0.63 7.04 1.47 -1.26 -5.02 116.67 113.52 3k49 s ASP 801 Ca -0.07 -1.17 0.32 0.00 1.18 0.00 0.00 52.55 52.81 3k49 s ASP 801 Cb 0.20 0.83 1.77 0.00 -0.34 0.00 0.00 42.92 45.39 3k49 s ASP 801 CO 0.75 -1.65 2.07 0.11 0.68 0.00 0.00 175.17 177.14 3k49 h LYS 802 N 2.01 0.00 0.00 2.11 1.79 -1.99 -2.07 116.57 118.43 3k49 h LYS 802 Ca -0.32 0.00 -0.10 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 31.88 3k49 h LYS 802 CO 0.40 0.00 -0.64 -0.97 -1.08 0.00 0.00 179.45 177.16 3k49 h ASN 803 N 0.00 0.00 -0.79 0.86 -1.24 -1.96 -3.03 115.58 109.42 3k49 h ASN 803 Ca 0.06 -0.43 0.18 0.00 0.71 0.00 0.00 56.30 56.81 3k49 h ASN 803 Cb 0.53 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 39.46 3k49 h ASN 803 CO -0.00 1.08 0.22 0.45 -1.29 0.00 0.00 177.43 177.89 3k49 h HIS 804 N -1.00 0.34 -0.39 0.67 3.86 -1.80 -1.04 115.15 115.79 3k49 h HIS 804 Ca -0.15 0.04 0.05 0.00 -1.16 0.00 0.00 60.37 59.16 3k49 h HIS 804 Cb 0.88 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 29.28 3k49 h HIS 804 CO 0.05 -0.10 0.10 0.00 0.86 0.00 0.00 177.93 178.84 3k49 h ALA 805 N 1.66 0.43 -0.08 2.45 0.00 -1.48 -2.11 119.26 120.13 3k49 h ALA 805 Ca 0.46 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.34 3k49 h ALA 805 Cb 0.83 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3k49 h ALA 805 CO -0.54 -0.30 -0.37 -0.07 0.00 0.00 0.00 179.25 177.97 3k49 h LEU 806 N 0.24 0.17 -6.72 0.00 3.38 -1.10 -3.36 115.31 107.91 3k49 h LEU 806 Ca 0.18 -0.06 -0.61 0.00 0.09 0.00 0.00 57.88 57.49 3k49 h LEU 806 Cb 0.20 -0.05 -0.40 0.00 0.09 0.00 0.00 40.66 40.50 3k49 h LEU 806 CO -0.22 0.53 -0.77 -3.20 0.09 0.00 0.00 178.44 174.87 3k49 n ASN 807 N -4.07 1.34 -4.90 -0.43 5.15 -0.54 -4.95 115.26 106.86 3k49 n ASN 807 Ca -0.01 -2.81 -0.28 0.00 -0.60 0.00 0.00 54.58 50.87 3k49 n ASN 807 Cb 0.43 -0.66 -0.01 0.00 -0.53 0.00 0.00 39.78 39.02 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 -0.76 3.72 0.21 1.20 1.43 -0.91 -4.69 118.68 118.89 3k49 s LEU 808 Ca 0.29 0.93 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 3k49 s LEU 808 Cb 0.00 -3.85 -0.04 0.00 0.03 0.00 0.00 46.19 42.33 3k49 s LEU 808 CO -0.18 -0.50 0.38 -1.61 0.23 0.00 0.00 176.35 174.67 3k49 s GLU 809 N -4.45 3.49 0.00 1.70 2.02 -1.26 -4.97 118.70 115.23 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 0.65 0.00 0.10 0.00 0.00 34.13 31.92 3k49 s GLU 809 CO 0.40 0.40 1.07 -0.25 0.02 0.00 0.00 175.26 176.91 3k49 n ASP 810 N -0.83 0.00 -0.01 -0.19 8.00 -1.26 -1.42 116.55 120.83 3k49 n ASP 810 Ca -0.06 -0.48 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 1.09 -4.77 -2.24 3.85 -1.26 -4.51 116.55 107.80 3k49 n ASP 811 Ca 0.08 -1.08 -0.39 0.00 -0.71 0.00 0.00 54.79 52.69 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 -0.09 6.35 0.18 -1.12 1.04 -0.51 -4.83 113.70 114.73 3k49 s SER 812 Ca 0.00 2.63 -0.26 0.00 0.48 0.00 0.00 55.95 58.80 3k49 s SER 812 Cb 0.00 -2.64 0.04 0.00 0.10 0.00 0.00 66.02 63.53 3k49 s SER 812 CO 0.00 -0.82 1.55 -0.65 0.98 0.00 0.00 173.24 174.30 3k49 h PRO 813 N 2.70 -0.01 -0.55 4.02 0.11 -1.89 -1.46 132.00 134.92 3k49 h PRO 813 Ca -0.49 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.72 3k49 h PRO 813 Cb 1.24 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.25 3k49 h PRO 813 CO 0.63 -0.01 -0.32 0.52 -0.21 0.00 0.00 178.00 178.60 3k49 h MET 814 N -0.01 -0.17 -0.41 1.05 2.86 -1.93 -0.44 114.93 115.88 3k49 h MET 814 Ca 0.22 0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.73 3k49 h MET 814 Cb 0.48 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3k49 h MET 814 CO -0.94 -0.11 -0.31 0.82 1.06 0.00 0.00 176.91 177.43 3k49 h ILE 815 N -0.17 1.27 -0.31 -1.22 1.08 -1.58 0.20 117.51 116.77 3k49 h ILE 815 Ca 0.22 -1.48 0.01 0.00 -0.39 0.00 0.00 64.86 63.23 3k49 h ILE 815 Cb 0.54 1.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.56 3k49 h ILE 815 CO -0.65 0.50 0.21 -0.07 -0.69 0.00 0.00 178.15 177.45 3k49 h LEU 816 N 0.77 0.31 0.02 1.44 3.38 -0.90 -2.74 115.31 117.59 3k49 h LEU 816 Ca 0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3k49 h LEU 816 Cb 0.89 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3k49 h LEU 816 CO 0.08 0.22 -0.11 0.24 0.09 0.00 0.00 178.44 178.97 3k49 h MET 817 N 0.37 0.04 -0.84 1.13 2.86 -0.14 -3.20 114.93 115.15 3k49 h MET 817 Ca 0.12 -0.07 0.19 0.00 -2.06 0.00 0.00 59.70 57.88 3k49 h MET 817 Cb 0.03 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.66 3k49 h MET 817 CO -0.03 0.99 0.57 0.82 1.06 0.00 0.00 176.91 180.32 3k49 h ILE 818 N -0.87 0.70 -0.00 -1.22 2.04 -0.59 -1.29 117.51 116.28 3k49 h ILE 818 Ca -0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3k49 h ILE 818 Cb 1.04 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3k49 h ILE 818 CO 0.02 0.06 -0.28 0.29 0.00 0.00 0.00 178.15 178.25 3k49 n LYS 819 N -4.47 0.25 -3.60 2.37 5.02 -1.04 -4.61 118.16 112.08 3k49 n LYS 819 Ca 0.17 -0.11 -0.36 0.00 -2.02 0.00 0.00 58.31 55.99 3k49 n LYS 819 Cb 0.68 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.14 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 -2.83 6.67 0.34 4.39 2.15 -0.51 -4.99 116.67 121.89 3k49 s ASP 820 Ca 0.17 0.80 0.06 0.00 0.43 0.00 0.00 52.55 54.01 3k49 s ASP 820 Cb 0.19 -2.19 0.72 0.00 -0.30 0.00 0.00 42.92 41.34 3k49 s ASP 820 CO 0.59 0.27 1.91 0.06 -0.17 0.00 0.00 175.17 177.83 3k49 h GLN 821 N 4.30 0.78 0.06 4.34 3.07 -1.90 -2.48 115.11 123.27 3k49 h GLN 821 Ca -0.51 -0.05 -0.38 0.00 0.09 0.00 0.00 58.65 57.81 3k49 h GLN 821 Cb 1.21 -0.18 -0.05 0.00 0.08 0.00 0.00 27.48 28.55 3k49 h GLN 821 CO 0.63 0.51 -2.25 1.19 0.09 0.00 0.00 178.83 179.01 3k49 n PHE 822 N -4.52 0.59 0.22 0.06 3.72 -1.26 -4.48 117.46 111.79 3k49 n PHE 822 Ca 0.14 0.13 0.06 0.00 -0.05 0.00 0.00 57.45 57.72 3k49 n PHE 822 Cb 0.32 -1.08 0.50 0.00 -0.94 0.00 0.00 39.48 38.28 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 0.01 1.60 -0.41 4.37 0.00 -1.06 -2.56 119.26 121.21 3k49 h ALA 823 Ca -0.51 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.29 3k49 h ALA 823 Cb 1.95 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 3k49 h ALA 823 CO -0.02 0.26 0.28 -2.95 0.00 0.00 0.00 179.25 176.82 3k49 h ASN 824 N 0.00 0.19 -0.39 0.00 7.08 -1.17 -1.42 115.58 119.87 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 0.38 -0.04 -0.01 0.00 -2.08 0.00 0.00 38.32 36.57 3k49 h ASN 824 CO 0.03 0.12 -0.27 1.88 -2.08 0.00 0.00 177.43 177.11 3k49 h TYR 825 N 0.22 1.02 -0.06 4.14 -1.99 -1.73 -0.97 116.97 117.60 3k49 h TYR 825 Ca 0.18 -0.28 -0.04 0.00 2.00 0.00 0.00 58.73 60.59 3k49 h TYR 825 Cb 0.45 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 3k49 h TYR 825 CO -0.00 1.07 -0.16 0.28 -0.00 0.00 0.00 178.16 179.35 3k49 h VAL 826 N 0.68 1.15 0.11 -2.88 2.07 -1.39 0.76 116.25 116.75 3k49 h VAL 826 Ca 0.08 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3k49 h VAL 826 Cb 0.84 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3k49 h VAL 826 CO 0.07 0.21 -0.05 0.40 0.02 0.00 0.00 177.57 178.22 3k49 h ILE 827 N 0.09 1.10 -0.55 4.57 1.08 -0.98 -1.32 117.51 121.49 3k49 h ILE 827 Ca 0.02 -1.00 0.11 0.00 -0.39 0.00 0.00 64.86 63.60 3k49 h ILE 827 Cb 0.35 1.71 -0.11 0.00 -3.07 0.00 0.00 36.82 35.70 3k49 h ILE 827 CO 0.02 0.23 -0.16 1.56 -0.69 0.00 0.00 178.15 179.12 3k49 h GLN 828 N -0.63 -0.02 -0.62 2.37 4.20 -0.94 -0.71 115.11 118.76 3k49 h GLN 828 Ca -0.02 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.77 3k49 h GLN 828 Cb 0.50 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.22 3k49 h GLN 828 CO 0.02 -0.01 0.29 -0.22 -0.67 0.00 0.00 178.83 178.24 3k49 h LYS 829 N -0.02 0.50 -0.70 1.46 1.63 -0.83 -2.26 116.57 116.35 3k49 h LYS 829 Ca 0.26 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.03 3k49 h LYS 829 Cb 0.42 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 3k49 h LYS 829 CO -0.58 0.33 0.42 -0.07 -3.45 0.00 0.00 179.45 176.10 3k49 h LEU 830 N 0.51 0.84 -0.73 5.20 3.38 0.03 -1.93 115.31 122.61 3k49 h LEU 830 Ca 0.30 -0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.37 3k49 h LEU 830 Cb 0.30 -0.21 -0.13 0.00 0.09 0.00 0.00 40.66 40.71 3k49 h LEU 830 CO -0.25 0.65 -0.00 0.58 0.09 0.00 0.00 178.44 179.51 3k49 h VAL 831 N 0.95 0.36 -0.10 1.22 2.07 -0.63 -0.91 116.25 119.22 3k49 h VAL 831 Ca 0.25 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.70 3k49 h VAL 831 Cb -0.03 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3k49 h VAL 831 CO -0.05 0.02 -0.07 0.78 0.02 0.00 0.00 177.57 178.27 3k49 h ASN 832 N 0.10 0.23 -0.13 0.57 2.35 -1.20 -3.26 115.58 114.23 3k49 h ASN 832 Ca 0.40 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3k49 h ASN 832 Cb 0.68 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3k49 h ASN 832 CO -0.65 0.63 0.00 1.33 -1.65 0.00 0.00 177.43 177.09 3k49 n VAL 833 N -4.70 0.17 -2.86 2.81 0.24 -0.80 -4.91 118.33 108.29 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 0.29 0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 32.77 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 -1.48 7.34 0.61 -1.34 0.01 -0.37 -5.05 113.70 113.42 3k49 s SER 834 Ca 0.28 1.60 -0.13 0.00 1.31 0.00 0.00 55.95 59.01 3k49 s SER 834 Cb 0.15 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 3k49 s SER 834 CO 0.22 -0.04 1.03 -0.70 0.41 0.00 0.00 173.24 174.17 3k49 s GLU 835 N 0.05 3.48 0.34 12.44 2.12 -1.26 -4.61 118.70 131.25 3k49 s GLU 835 Ca 0.43 0.93 0.14 0.00 0.36 0.00 0.00 54.97 56.83 3k49 s GLU 835 Cb -0.22 -2.06 1.10 0.00 0.26 0.00 0.00 34.13 33.21 3k49 s GLU 835 CO 0.26 -0.67 1.61 0.78 -0.54 0.00 0.00 175.26 176.71 3k49 h GLY 836 N 0.02 1.95 1.51 -1.50 0.00 -1.97 0.40 103.07 103.49 3k49 h GLY 836 Ca -0.45 -0.12 -0.28 0.00 0.00 0.00 0.00 47.33 46.47 3k49 h GLY 836 CO 0.60 -0.61 -1.33 -2.09 0.00 0.00 0.00 176.54 173.10 3k49 h GLU 837 N 0.13 0.27 0.00 4.80 4.57 -2.00 -2.55 114.58 119.80 3k49 h GLU 837 Ca 0.74 -0.45 -0.07 0.00 -1.18 0.00 0.00 59.36 58.39 3k49 h GLU 837 Cb 1.78 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 30.53 3k49 h GLU 837 CO -0.73 1.19 -0.40 0.78 -1.18 0.00 0.00 179.01 178.67 3k49 h GLY 838 N 1.62 0.00 -0.67 1.92 0.00 -1.79 -3.33 103.07 100.82 3k49 h GLY 838 Ca -0.17 0.00 0.32 0.00 0.00 0.00 0.00 47.33 47.48 3k49 h GLY 838 CO 0.19 0.00 0.43 1.70 0.00 0.00 0.00 176.54 178.86 3k49 h LYS 839 N -1.00 0.18 -0.16 4.80 3.64 -0.36 0.11 116.57 123.79 3k49 h LYS 839 Ca -0.11 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3k49 h LYS 839 Cb 1.08 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.80 3k49 h LYS 839 CO -0.07 0.12 -0.26 -0.22 -2.27 0.00 0.00 179.45 176.76 3k49 h LYS 840 N 0.19 -0.30 -0.07 1.90 3.64 -1.56 -2.13 116.57 118.25 3k49 h LYS 840 Ca 0.71 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.99 3k49 h LYS 840 Cb 1.64 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.51 3k49 h LYS 840 CO -0.69 -0.20 -0.50 -0.07 -2.27 0.00 0.00 179.45 175.73 3k49 h LEU 841 N -0.31 0.19 -0.28 5.20 3.38 -0.92 -3.13 115.31 119.44 3k49 h LEU 841 Ca 0.11 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3k49 h LEU 841 Cb 0.48 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3k49 h LEU 841 CO -0.34 0.66 -0.16 0.40 0.09 0.00 0.00 178.44 179.09 3k49 h ILE 842 N 0.14 1.30 0.39 1.22 2.04 -0.99 -2.76 117.51 118.86 3k49 h ILE 842 Ca 0.00 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 3k49 h ILE 842 Cb 0.93 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 3k49 h ILE 842 CO 0.07 0.40 -0.19 0.58 0.00 0.00 0.00 178.15 179.02 3k49 h VAL 843 N 0.34 0.62 -0.99 1.67 2.07 -1.38 -2.36 116.25 116.22 3k49 h VAL 843 Ca 0.06 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.51 3k49 h VAL 843 Cb 0.68 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 3k49 h VAL 843 CO 0.05 0.03 0.64 0.40 0.02 0.00 0.00 177.57 178.70 3k49 h ILE 844 N -0.61 1.04 -0.58 4.57 2.04 -1.61 0.29 117.51 122.65 3k49 h ILE 844 Ca -0.05 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3k49 h ILE 844 Cb 0.45 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 3k49 h ILE 844 CO 0.09 0.20 0.37 0.00 0.00 0.00 0.00 178.15 178.82 3k49 h ALA 845 N 1.48 0.74 -0.19 1.87 0.00 -1.36 -0.47 119.26 121.33 3k49 h ALA 845 Ca 0.44 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 3k49 h ALA 845 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3k49 h ALA 845 CO -0.19 0.19 0.03 0.82 0.00 0.00 0.00 179.25 180.10 3k49 h ILE 846 N 0.79 1.22 -0.65 0.00 2.04 -0.68 -1.81 117.51 118.42 3k49 h ILE 846 Ca 0.21 -0.73 0.09 0.00 1.00 0.00 0.00 64.86 65.43 3k49 h ILE 846 Cb -0.06 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 3k49 h ILE 846 CO -0.04 0.22 0.30 0.03 0.00 0.00 0.00 178.15 178.66 3k49 h ARG 847 N 0.12 0.50 -0.74 2.37 3.08 -0.81 -1.61 114.38 117.30 3k49 h ARG 847 Ca 0.06 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.12 3k49 h ARG 847 Cb 0.31 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 3k49 h ARG 847 CO 0.00 0.33 0.45 0.00 -1.07 0.00 0.00 179.97 179.69 3k49 h ALA 848 N 1.41 0.98 -0.19 0.04 0.00 -0.81 -2.73 119.26 117.96 3k49 h ALA 848 Ca 0.32 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3k49 h ALA 848 Cb 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3k49 h ALA 848 CO -0.27 0.20 0.01 -0.92 0.00 0.00 0.00 179.25 178.27 3k49 h TYR 849 N 0.86 0.27 -0.40 0.00 3.20 -0.42 -2.36 116.97 118.12 3k49 h TYR 849 Ca 0.31 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.01 3k49 h TYR 849 Cb 0.08 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3k49 h TYR 849 CO -0.05 0.28 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.33 3k49 h LEU 850 N 0.27 0.98 0.49 2.82 3.38 -1.21 -3.17 115.31 118.88 3k49 h LEU 850 Ca 0.06 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 3k49 h LEU 850 Cb 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3k49 h LEU 850 CO 0.00 1.23 -0.40 0.44 0.09 0.00 0.00 178.44 179.80 3k49 h ASP 851 N 0.77 -1.06 -0.66 -0.43 3.32 -1.31 -0.33 116.42 116.72 3k49 h ASP 851 Ca 0.07 0.08 0.13 0.00 0.02 0.00 0.00 57.03 57.32 3k49 h ASP 851 Cb 0.94 0.33 -0.13 0.00 0.22 0.00 0.00 39.33 40.70 3k49 h ASP 851 CO 0.09 -0.56 -0.23 0.50 -1.72 0.00 0.00 179.24 177.32 3k49 h LYS 852 N -0.86 -0.05 -0.23 3.56 3.64 -1.60 0.83 116.57 121.84 3k49 h LYS 852 Ca -0.06 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 3k49 h LYS 852 Cb 0.72 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 3k49 h LYS 852 CO 0.00 -0.04 -0.24 1.25 -2.27 0.00 0.00 179.45 178.16 3k49 h LEU 853 N -0.06 0.43 -0.04 5.20 5.85 -1.51 -2.97 115.31 122.21 3k49 h LEU 853 Ca 0.30 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3k49 h LEU 853 Cb 0.52 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 3k49 h LEU 853 CO -0.71 0.67 0.01 -1.13 -0.34 0.00 0.00 178.44 176.95 3k49 h ASN 854 N 0.39 0.06 0.06 1.25 -0.73 0.95 -3.28 115.58 114.28 3k49 h ASN 854 Ca 0.06 -0.23 -0.00 0.00 1.87 0.00 0.00 56.30 58.00 3k49 h ASN 854 Cb 0.63 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.20 3k49 h ASN 854 CO 0.04 0.28 -0.03 0.50 -0.37 0.00 0.00 177.43 177.85 3k49 h LYS 855 N -0.16 -0.07 -6.86 6.67 3.64 -1.27 -3.45 116.57 115.08 3k49 h LYS 855 Ca 0.01 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.90 3k49 h LYS 855 Cb 0.24 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3k49 h LYS 855 CO 0.00 0.37 0.44 -1.54 -2.27 0.00 0.00 179.45 176.45 3k49 s SER 856 N -5.57 7.12 -0.06 4.20 1.04 -1.13 -5.14 113.70 114.16 3k49 s SER 856 Ca -0.15 2.17 -0.00 0.00 0.48 0.00 0.00 55.95 58.44 3k49 s SER 856 Cb 0.02 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.49 3k49 s SER 856 CO 0.64 -0.24 -0.02 0.20 0.98 0.00 0.00 173.24 174.80 3k49 s ASN 857 N -1.14 5.01 0.05 7.02 0.01 -1.26 -4.87 114.94 119.75 3k49 s ASN 857 Ca 0.49 0.05 -0.18 0.00 -0.71 0.00 0.00 52.86 52.51 3k49 s ASN 857 Cb -0.28 -1.34 -0.06 0.00 0.41 0.00 0.00 41.25 39.98 3k49 s ASN 857 CO 0.36 0.35 0.52 -0.83 -1.51 0.00 0.00 177.10 175.99 3k49 s GLY 860 N -1.01 2.61 0.03 0.66 0.00 -1.26 -5.24 107.32 103.10 3k49 s GLY 860 Ca 0.14 -0.05 -0.38 0.00 0.00 0.00 0.00 44.72 44.43 3k49 s GLY 860 CO 0.04 0.36 1.02 0.70 0.00 0.00 0.00 173.10 175.22 3k49 n ASN 861 N 1.77 -0.08 -0.13 1.64 3.02 -1.26 -4.90 115.26 115.31 3k49 n ASN 861 Ca -0.11 1.16 -0.26 0.00 -0.03 0.00 0.00 54.58 55.33 3k49 n ASN 861 Cb 0.51 -0.94 -0.10 0.00 -0.61 0.00 0.00 39.78 38.64 3k49 n ASN 861 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3k49 n ARG 862 N 1.48 0.60 -1.96 3.52 1.74 -1.26 -4.98 116.66 115.80 3k49 n ARG 862 Ca 0.20 0.22 -0.15 0.00 -0.77 0.00 0.00 57.85 57.35 3k49 n ARG 862 Cb 0.10 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 3k49 n ARG 862 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3k49 n HIS 863 N -3.92 -0.84 -1.60 -1.55 8.25 -1.26 -4.89 115.22 109.41 3k49 n HIS 863 Ca -0.51 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.56 3k49 n HIS 863 Cb 0.91 -2.91 0.04 0.00 1.12 0.00 0.00 29.99 29.15 3k49 n HIS 863 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3k49 n LEU 864 N -2.44 3.12 0.20 2.41 4.77 -1.26 -4.79 117.00 119.00 3k49 n LEU 864 Ca -0.16 0.84 0.05 0.00 -0.03 0.00 0.00 56.01 56.71 3k49 n LEU 864 Cb 0.56 -1.36 0.40 0.00 -2.33 0.00 0.00 43.42 40.70 3k49 n LEU 864 CO 0.21 -1.94 0.73 0.00 -1.33 0.00 0.00 177.39 175.06 3k49 h ALA 865 N 0.65 1.20 -0.16 -1.18 0.00 -1.98 -1.40 119.26 116.39 3k49 h ALA 865 Ca -0.47 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 53.96 3k49 h ALA 865 Cb 1.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3k49 h ALA 865 CO 0.51 0.43 -0.58 0.66 0.00 0.00 0.00 179.25 180.28 3k49 h SER 866 N 0.00 0.57 0.00 0.00 4.64 -1.97 -0.36 113.55 116.44 3k49 h SER 866 Ca -0.00 -0.32 -0.24 0.00 -0.47 0.00 0.00 61.79 60.75 3k49 h SER 866 Cb 0.72 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3k49 h SER 866 CO 0.05 1.03 -0.93 0.58 -0.87 0.00 0.00 176.83 176.68 3k49 h VAL 867 N 0.39 1.29 -0.93 0.95 2.07 -1.86 -2.30 116.25 115.86 3k49 h VAL 867 Ca 0.00 -2.17 0.03 0.00 0.82 0.00 0.00 66.70 65.38 3k49 h VAL 867 Cb 1.13 2.24 -0.05 0.00 -1.52 0.00 0.00 31.29 33.08 3k49 h VAL 867 CO 0.11 0.67 0.61 -0.08 0.02 0.00 0.00 177.57 178.90 3k49 h GLU 868 N 0.42 1.14 -0.10 1.57 4.57 -1.15 0.27 114.58 121.31 3k49 h GLU 868 Ca -0.09 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 57.97 3k49 h GLU 868 Cb 1.57 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3k49 h GLU 868 CO 0.18 0.76 -0.13 -0.22 -1.18 0.00 0.00 179.01 178.42 3k49 h LYS 869 N 1.18 0.26 -0.63 1.92 1.63 -1.05 -2.71 116.57 117.18 3k49 h LYS 869 Ca 0.37 -0.15 -0.05 0.00 -0.85 0.00 0.00 60.65 59.97 3k49 h LYS 869 Cb 0.00 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 3k49 h LYS 869 CO -0.11 0.70 0.20 -0.07 -3.45 0.00 0.00 179.45 176.72 3k49 h LEU 870 N -0.16 0.88 0.36 5.20 3.38 -1.16 -2.74 115.31 121.08 3k49 h LEU 870 Ca 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3k49 h LEU 870 Cb 0.67 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3k49 h LEU 870 CO 0.03 0.82 -0.32 0.00 0.09 0.00 0.00 178.44 179.06 3k49 h ALA 871 N 1.30 -1.04 -0.11 1.53 0.00 -0.41 -2.63 119.26 117.89 3k49 h ALA 871 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3k49 h ALA 871 Cb 0.26 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3k49 h ALA 871 CO -0.01 -1.05 0.07 0.00 0.00 0.00 0.00 179.25 178.26 3k49 h ALA 872 N -1.26 0.14 0.00 0.00 0.00 -1.51 -2.23 119.26 114.40 3k49 h ALA 872 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3k49 h ALA 872 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3k49 h ALA 872 CO -0.02 -0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.15 3k49 n LEU 873 N -5.00 0.51 -0.06 0.00 4.77 -1.03 -1.41 117.00 114.78 3k49 n LEU 873 Ca -0.05 0.67 -0.19 0.00 -0.03 0.00 0.00 56.01 56.41 3k49 n LEU 873 Cb 0.04 -0.65 -0.13 0.00 -2.33 0.00 0.00 43.42 40.35 3k49 n LEU 873 CO 0.33 -0.66 -0.11 0.58 -1.33 0.00 0.00 177.39 176.20 3k49 h VAL 874 N 0.00 1.32 0.00 4.08 2.07 -1.05 -3.51 116.25 119.15 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 0.20 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 3k49 h VAL 874 CO 0.00 0.54 0.00 -0.62 0.02 0.00 0.00 177.57 177.51