#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hr4 s GLU 512 N 0.00 3.75 -0.11 -0.14 2.12 -1.26 -5.09 118.70 117.96 3hr4 s GLU 512 Ca 0.00 -0.45 -0.20 0.00 0.36 0.00 0.00 54.97 54.68 3hr4 s GLU 512 Cb 0.00 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 3hr4 s GLU 512 CO 0.00 0.05 0.57 0.42 -0.54 0.00 0.00 175.26 175.75 3hr4 s ILE 513 N 0.95 5.12 0.23 -3.70 1.09 -1.26 -5.07 121.20 118.56 3hr4 s ILE 513 Ca 0.03 1.13 -0.14 0.00 -1.10 0.00 0.00 60.65 60.57 3hr4 s ILE 513 Cb -0.14 -3.90 -0.08 0.00 -1.06 0.00 0.00 42.46 37.28 3hr4 s ILE 513 CO 0.02 0.27 0.63 -2.16 -0.10 0.00 0.00 174.94 173.61 3hr4 s PRO 514 N 0.87 4.00 0.57 2.79 0.04 -1.26 -4.93 135.00 137.07 3hr4 s PRO 514 Ca 0.30 0.56 0.27 0.00 0.04 0.00 0.00 61.00 62.17 3hr4 s PRO 514 Cb -0.16 -2.72 1.56 0.00 0.04 0.00 0.00 34.50 33.22 3hr4 s PRO 514 CO 0.13 0.34 2.07 1.25 0.04 0.00 0.00 177.00 180.83 3hr4 h LEU 515 N 2.94 0.00 -0.03 -3.56 7.12 -1.99 0.91 115.31 120.70 3hr4 h LEU 515 Ca -0.48 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.53 3hr4 h LEU 515 Cb 1.18 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.31 3hr4 h LEU 515 CO 0.66 0.00 -0.04 2.29 -0.13 0.00 0.00 178.44 181.23 3hr4 n LYS 516 N -3.98 0.32 -0.06 1.25 2.85 -1.26 -2.33 118.16 114.94 3hr4 n LYS 516 Ca 0.03 -0.03 -0.06 0.00 -1.05 0.00 0.00 58.31 57.20 3hr4 n LYS 516 Cb 0.37 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.24 3hr4 n LYS 516 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3hr4 n VAL 517 N -1.32 1.13 -0.39 0.58 0.31 0.22 -4.02 118.33 114.84 3hr4 n VAL 517 Ca 0.12 0.24 -0.05 0.00 -0.01 0.00 0.00 64.34 64.64 3hr4 n VAL 517 Cb 0.28 -2.16 -0.01 0.00 -0.91 0.00 0.00 33.84 31.03 3hr4 n VAL 517 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3hr4 n LEU 518 N -4.02 -0.80 -0.20 7.52 7.94 -0.63 -0.02 117.00 126.80 3hr4 n LEU 518 Ca -0.09 1.73 -0.04 0.00 -1.11 0.00 0.00 56.01 56.50 3hr4 n LEU 518 Cb 0.34 -0.33 0.02 0.00 0.53 0.00 0.00 43.42 43.98 3hr4 n LEU 518 CO 0.14 -1.50 0.66 0.58 -1.11 0.00 0.00 177.39 176.16 3hr4 h VAL 519 N 0.00 0.23 0.00 1.96 2.07 -1.69 0.50 116.25 119.32 3hr4 h VAL 519 Ca 0.27 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.79 3hr4 h VAL 519 Cb 0.52 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3hr4 h VAL 519 CO -0.96 0.00 -0.01 0.11 0.02 0.00 0.00 177.57 176.73 3hr4 h LYS 520 N -0.13 0.00 0.09 1.57 1.57 -0.58 -0.79 116.57 118.30 3hr4 h LYS 520 Ca 0.25 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3hr4 h LYS 520 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3hr4 h LYS 520 CO -0.66 0.01 -0.04 0.00 -0.57 0.00 0.00 179.45 178.19 3hr4 h ALA 521 N 1.99 -0.12 -0.00 3.86 0.00 0.76 -3.00 119.26 122.75 3hr4 h ALA 521 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hr4 h ALA 521 Cb 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hr4 h ALA 521 CO 0.00 -0.18 0.01 -0.39 0.00 0.00 0.00 179.25 178.69 3hr4 h VAL 522 N -0.91 0.25 0.36 0.00 -1.51 -0.79 0.88 116.25 114.52 3hr4 h VAL 522 Ca -0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.44 3hr4 h VAL 522 Cb 0.55 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 3hr4 h VAL 522 CO 0.02 0.00 -0.17 0.25 -1.23 0.00 0.00 177.57 176.44 3hr4 h LEU 523 N 0.00 -0.40 -0.51 4.19 6.46 -1.15 -1.40 115.31 122.49 3hr4 h LEU 523 Ca 0.00 -0.13 0.07 0.00 -0.12 0.00 0.00 57.88 57.70 3hr4 h LEU 523 Cb 0.02 0.10 -0.09 0.00 -0.73 0.00 0.00 40.66 39.96 3hr4 h LEU 523 CO -0.00 -0.08 -0.51 0.15 -0.62 0.00 0.00 178.44 177.38 3hr4 h PHE 524 N -0.75 -1.54 -0.43 1.25 3.57 -0.71 0.20 116.94 118.54 3hr4 h PHE 524 Ca -0.05 0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.62 3hr4 h PHE 524 Cb 0.51 0.74 -0.09 0.00 2.79 0.00 0.00 35.95 39.90 3hr4 h PHE 524 CO 0.01 -0.46 -0.15 0.00 -2.23 0.00 0.00 178.31 175.48 3hr4 h ALA 525 N 0.26 0.22 -0.66 2.41 0.00 -1.32 -0.89 119.26 119.28 3hr4 h ALA 525 Ca 0.12 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.23 3hr4 h ALA 525 Cb 0.57 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3hr4 h ALA 525 CO -0.65 -0.49 0.40 0.00 0.00 0.00 0.00 179.25 178.51 3hr4 h MET 527 N 0.78 0.09 -0.69 0.00 2.07 0.70 0.70 114.93 118.59 3hr4 h MET 527 Ca 0.27 -0.01 -0.03 0.00 -2.07 0.00 0.00 59.70 57.87 3hr4 h MET 527 Cb 0.05 -0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 29.72 3hr4 h MET 527 CO -0.12 0.06 0.32 -0.07 1.07 0.00 0.00 176.91 178.18 3hr4 h LEU 528 N 0.10 0.91 -1.08 1.22 3.38 -0.64 -2.74 115.31 116.46 3hr4 h LEU 528 Ca 0.25 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3hr4 h LEU 528 Cb 0.38 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3hr4 h LEU 528 CO -0.43 0.79 -0.36 0.24 0.09 0.00 0.00 178.44 178.77 3hr4 h MET 529 N 0.96 0.18 -0.60 1.13 2.86 -0.10 -1.56 114.93 117.81 3hr4 h MET 529 Ca 0.24 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3hr4 h MET 529 Cb 0.13 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3hr4 h MET 529 CO -0.03 0.53 0.37 -0.09 1.06 0.00 0.00 176.91 178.75 3hr4 h ARG 530 N 0.16 0.81 0.21 1.72 2.43 -0.62 -0.20 114.38 118.89 3hr4 h ARG 530 Ca 0.02 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3hr4 h ARG 530 Cb 0.72 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3hr4 h ARG 530 CO 0.05 0.57 -0.10 0.87 -1.51 0.00 0.00 179.97 179.85 3hr4 h LYS 531 N 0.81 -0.27 -0.49 0.20 1.79 -1.23 -2.98 116.57 114.40 3hr4 h LYS 531 Ca 0.22 0.02 0.14 0.00 -2.18 0.00 0.00 60.65 58.85 3hr4 h LYS 531 Cb -0.04 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 3hr4 h LYS 531 CO -0.04 -0.18 0.55 1.79 -1.08 0.00 0.00 179.45 180.49 3hr4 h THR 532 N -0.37 0.30 -0.04 -0.16 1.35 -1.32 0.20 112.91 112.87 3hr4 h THR 532 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.83 3hr4 h THR 532 Cb 0.22 0.55 -0.00 0.00 -1.73 0.00 0.00 68.15 67.19 3hr4 h THR 532 CO 0.05 0.00 0.01 -0.03 -0.25 0.00 0.00 175.52 175.30 3hr4 h MET 533 N 0.00 0.07 0.00 4.72 1.85 -0.97 -0.06 114.93 120.54 3hr4 h MET 533 Ca 0.23 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.31 3hr4 h MET 533 Cb 1.34 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.36 3hr4 h MET 533 CO -0.00 0.27 0.00 0.00 -0.40 0.00 0.00 176.91 176.77 3hr4 n ALA 534 N -2.22 1.65 -0.30 0.39 0.00 0.70 0.71 120.51 121.44 3hr4 n ALA 534 Ca -0.07 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.43 3hr4 n ALA 534 Cb 0.14 -1.04 0.22 0.00 0.00 0.00 0.00 19.45 18.76 3hr4 n ALA 534 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hr4 n SER 535 N -0.77 3.37 -4.22 0.00 7.64 -0.04 -4.99 113.62 114.61 3hr4 n SER 535 Ca 0.02 -2.09 -0.29 0.00 1.01 0.00 0.00 58.87 57.52 3hr4 n SER 535 Cb 0.01 -0.34 -0.07 0.00 -1.01 0.00 0.00 64.21 62.80 3hr4 n SER 535 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hr4 n ARG 536 N 0.78 0.63 -3.71 1.43 1.74 0.22 -5.07 116.66 112.69 3hr4 n ARG 536 Ca 0.16 -3.63 -0.36 0.00 -0.77 0.00 0.00 57.85 53.25 3hr4 n ARG 536 Cb 0.53 1.61 -0.07 0.00 -1.02 0.00 0.00 32.46 33.51 3hr4 n ARG 536 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hr4 s VAL 537 N -3.04 5.37 -0.69 1.55 1.01 -1.26 -4.81 120.40 118.53 3hr4 s VAL 537 Ca 0.14 0.36 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 3hr4 s VAL 537 Cb 0.01 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.91 3hr4 s VAL 537 CO 0.10 0.51 1.23 -0.13 0.00 0.00 0.00 175.10 176.80 3hr4 s ARG 538 N -0.29 3.28 -0.42 2.72 0.52 -1.26 -0.16 118.95 123.34 3hr4 s ARG 538 Ca 0.14 -0.14 -0.16 0.00 -0.52 0.00 0.00 55.73 55.05 3hr4 s ARG 538 Cb -0.13 -4.13 0.02 0.00 0.52 0.00 0.00 34.95 31.24 3hr4 s ARG 538 CO 0.03 -1.98 0.38 0.08 0.02 0.00 0.00 175.30 173.84 3hr4 s VAL 539 N 5.37 5.16 0.18 3.52 1.01 -1.01 -4.46 120.40 130.17 3hr4 s VAL 539 Ca 0.36 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 3hr4 s VAL 539 Cb -0.09 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 3hr4 s VAL 539 CO 0.18 -0.39 1.01 -0.89 0.00 0.00 0.00 175.10 175.00 3hr4 s THR 540 N 1.94 4.13 -0.17 3.92 2.01 -1.10 -1.92 115.64 124.44 3hr4 s THR 540 Ca 0.09 1.90 0.01 0.00 0.31 0.00 0.00 61.69 63.99 3hr4 s THR 540 Cb -0.18 -4.21 0.03 0.00 0.01 0.00 0.00 72.50 68.15 3hr4 s THR 540 CO 0.12 0.36 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.65 3hr4 s ILE 541 N -0.46 1.64 -0.10 1.82 1.01 0.11 -2.01 121.20 123.21 3hr4 s ILE 541 Ca 0.46 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 60.22 3hr4 s ILE 541 Cb -0.26 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 3hr4 s ILE 541 CO 0.33 0.33 0.14 -0.76 0.00 0.00 0.00 174.94 174.98 3hr4 s LEU 542 N 1.43 4.36 -0.02 2.97 1.43 -0.06 0.12 118.68 128.92 3hr4 s LEU 542 Ca 0.02 0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 53.55 3hr4 s LEU 542 Cb -0.14 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 43.93 3hr4 s LEU 542 CO -0.10 0.38 0.03 0.72 0.23 0.00 0.00 176.35 177.61 3hr4 s PHE 543 N -1.08 0.00 0.04 0.29 -0.71 -0.73 -1.83 117.98 113.95 3hr4 s PHE 543 Ca 0.17 0.12 0.05 0.00 -1.04 0.00 0.00 56.93 56.23 3hr4 s PHE 543 Cb -0.12 -0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.51 3hr4 s PHE 543 CO 0.07 -0.07 -0.09 0.00 -1.34 0.00 0.00 175.22 173.79 3hr4 s ALA 544 N 0.72 2.93 -0.04 1.99 0.00 -1.13 -1.77 121.76 124.45 3hr4 s ALA 544 Ca -0.06 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 3hr4 s ALA 544 Cb -0.08 -1.00 0.11 0.00 0.00 0.00 0.00 23.12 22.14 3hr4 s ALA 544 CO -0.02 0.62 0.93 -0.08 0.00 0.00 0.00 175.76 177.21 3hr4 s THR 545 N -1.04 0.00 0.00 0.00 -1.32 -1.26 -3.75 115.64 108.27 3hr4 s THR 545 Ca 0.18 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 3hr4 s THR 545 Cb -0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 3hr4 s THR 545 CO 0.09 0.00 0.00 -0.62 -2.21 0.00 0.00 174.62 171.88 3hr4 n GLU 546 N -0.15 0.61 -0.46 7.08 -0.58 -1.26 -4.27 120.64 121.61 3hr4 n GLU 546 Ca -0.08 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.72 3hr4 n GLU 546 Cb 0.61 -0.78 0.22 0.00 -0.57 0.00 0.00 31.44 30.92 3hr4 n GLU 546 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3hr4 n THR 547 N -1.86 2.27 0.00 2.62 -1.04 -1.26 -4.99 114.28 110.01 3hr4 n THR 547 Ca 0.00 -2.24 0.00 0.00 -2.04 0.00 0.00 64.05 59.77 3hr4 n THR 547 Cb 0.28 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 3hr4 n THR 547 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hr4 n GLY 548 N -0.89 0.49 0.13 3.41 0.00 -1.26 -4.80 105.19 102.26 3hr4 n GLY 548 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 3hr4 n GLY 548 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hr4 h LYS 549 N 0.32 0.33 -0.52 1.61 1.57 -1.95 0.12 116.57 118.04 3hr4 h LYS 549 Ca 0.00 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3hr4 h LYS 549 Cb 0.00 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3hr4 h LYS 549 CO 0.00 0.35 0.35 0.77 -0.57 0.00 0.00 179.45 180.35 3hr4 h SER 550 N 0.23 0.56 0.21 0.86 0.02 -1.87 -0.48 113.55 113.07 3hr4 h SER 550 Ca 0.08 -0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 60.79 3hr4 h SER 550 Cb 0.14 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3hr4 h SER 550 CO -0.01 0.39 -0.89 -0.08 -1.14 0.00 0.00 176.83 175.10 3hr4 h GLU 551 N 0.65 0.50 -0.49 3.45 4.81 -1.71 -2.25 114.58 119.55 3hr4 h GLU 551 Ca 0.20 -0.49 -0.13 0.00 -0.13 0.00 0.00 59.36 58.80 3hr4 h GLU 551 Cb 0.01 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3hr4 h GLU 551 CO -0.05 1.13 -0.22 0.00 -0.73 0.00 0.00 179.01 179.14 3hr4 h ALA 552 N 0.71 0.68 -0.26 2.92 0.00 -0.15 -2.54 119.26 120.63 3hr4 h ALA 552 Ca -0.07 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 3hr4 h ALA 552 Cb 1.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3hr4 h ALA 552 CO 0.16 0.68 -0.30 -0.07 0.00 0.00 0.00 179.25 179.72 3hr4 h LEU 553 N 0.87 0.54 0.19 0.00 3.38 -1.14 -2.48 115.31 116.66 3hr4 h LEU 553 Ca 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3hr4 h LEU 553 Cb 0.80 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3hr4 h LEU 553 CO 0.07 0.82 -0.09 0.00 0.09 0.00 0.00 178.44 179.32 3hr4 h ALA 554 N 1.22 -0.25 0.00 1.53 0.00 -1.20 0.21 119.26 120.76 3hr4 h ALA 554 Ca 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hr4 h ALA 554 Cb 0.75 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3hr4 h ALA 554 CO 0.06 -0.57 -0.04 -1.49 0.00 0.00 0.00 179.25 177.21 3hr4 h TRP 555 N -0.39 0.00 0.01 0.00 6.55 -1.46 0.33 115.95 121.00 3hr4 h TRP 555 Ca -0.03 0.00 -0.21 0.00 0.95 0.00 0.00 58.89 59.60 3hr4 h TRP 555 Cb 0.30 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.59 3hr4 h TRP 555 CO -0.02 0.04 -0.92 -0.44 -1.05 0.00 0.00 178.44 176.04 3hr4 h ASP 556 N 0.00 0.36 -0.03 -3.49 5.19 -0.91 -1.48 116.42 116.06 3hr4 h ASP 556 Ca -0.00 -0.30 -0.01 0.00 -0.62 0.00 0.00 57.03 56.10 3hr4 h ASP 556 Cb 0.22 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.62 3hr4 h ASP 556 CO 0.00 1.11 -0.01 0.25 -3.12 0.00 0.00 179.24 177.47 3hr4 h LEU 557 N 0.15 0.06 -1.04 1.55 5.85 0.19 -1.36 115.31 120.71 3hr4 h LEU 557 Ca -0.06 -0.40 0.10 0.00 0.84 0.00 0.00 57.88 58.36 3hr4 h LEU 557 Cb 1.56 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.49 3hr4 h LEU 557 CO 0.15 0.45 0.63 1.23 -0.34 0.00 0.00 178.44 180.56 3hr4 h GLY 558 N -0.33 1.56 0.92 3.75 0.00 -0.45 0.16 103.07 108.68 3hr4 h GLY 558 Ca 0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3hr4 h GLY 558 CO 0.00 0.22 -0.39 0.00 0.00 0.00 0.00 176.54 176.38 3hr4 h ALA 559 N 1.52 -1.08 -0.80 3.60 0.00 -1.08 0.74 119.26 122.16 3hr4 h ALA 559 Ca 0.47 -0.24 0.19 0.00 0.00 0.00 0.00 54.91 55.33 3hr4 h ALA 559 Cb 0.39 0.42 -0.12 0.00 0.00 0.00 0.00 17.79 18.47 3hr4 h ALA 559 CO -0.22 -1.06 0.21 1.25 0.00 0.00 0.00 179.25 179.42 3hr4 h LEU 560 N -1.18 0.02 0.00 0.00 6.46 -0.64 0.68 115.31 120.65 3hr4 h LEU 560 Ca -0.11 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 3hr4 h LEU 560 Cb 0.84 0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 3hr4 h LEU 560 CO 0.18 -0.08 0.00 0.49 -0.62 0.00 0.00 178.44 178.42 3hr4 n PHE 561 N -5.18 0.00 0.36 1.25 3.01 0.51 -2.23 117.46 115.19 3hr4 n PHE 561 Ca 0.17 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.77 3hr4 n PHE 561 Cb 0.55 -0.43 0.53 0.00 -0.01 0.00 0.00 39.48 40.12 3hr4 n PHE 561 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3hr4 h SER 562 N 0.00 0.00 0.00 4.37 0.02 0.28 0.33 113.55 118.56 3hr4 h SER 562 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hr4 h SER 562 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3hr4 h SER 562 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3hr4 n ALA 564 N -0.68 0.00 -4.14 0.00 0.00 -1.03 -5.02 120.51 109.65 3hr4 n ALA 564 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 3hr4 n ALA 564 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 3hr4 n ALA 564 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hr4 n PHE 565 N -0.05 0.26 -3.53 0.00 3.01 0.08 -4.60 117.46 112.63 3hr4 n PHE 565 Ca 0.00 -0.61 -0.33 0.00 1.01 0.00 0.00 57.45 57.52 3hr4 n PHE 565 Cb 0.00 -0.07 -0.07 0.00 -0.01 0.00 0.00 39.48 39.33 3hr4 n PHE 565 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3hr4 n ASN 566 N -1.16 4.22 -4.76 4.37 5.15 0.78 -4.61 115.26 119.25 3hr4 n ASN 566 Ca -0.05 -3.28 -0.37 0.00 -0.60 0.00 0.00 54.58 50.28 3hr4 n ASN 566 Cb 0.15 -0.92 0.01 0.00 -0.53 0.00 0.00 39.78 38.49 3hr4 n ASN 566 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3hr4 s PRO 567 N -1.94 3.50 -0.30 1.20 0.04 -1.26 -2.39 135.00 133.85 3hr4 s PRO 567 Ca 0.31 1.88 -0.03 0.00 0.04 0.00 0.00 61.00 63.21 3hr4 s PRO 567 Cb 0.02 -2.30 0.11 0.00 0.04 0.00 0.00 34.50 32.37 3hr4 s PRO 567 CO -0.07 -0.79 0.16 0.21 0.04 0.00 0.00 177.00 176.55 3hr4 s LYS 568 N -2.85 0.28 -0.51 4.56 2.20 -0.81 -4.91 119.74 117.70 3hr4 s LYS 568 Ca 0.67 -0.71 -0.29 0.00 -0.36 0.00 0.00 55.97 55.29 3hr4 s LYS 568 Cb -0.31 -1.17 0.02 0.00 -1.51 0.00 0.00 37.83 34.86 3hr4 s LYS 568 CO 0.37 -1.07 1.26 0.08 -0.36 0.00 0.00 175.35 175.63 3hr4 s VAL 569 N 1.86 4.02 0.09 4.02 1.01 -1.26 -0.71 120.40 129.42 3hr4 s VAL 569 Ca 0.11 0.98 0.10 0.00 0.00 0.00 0.00 61.98 63.16 3hr4 s VAL 569 Cb -0.18 -4.53 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 3hr4 s VAL 569 CO -0.28 -1.08 -0.24 -0.69 0.00 0.00 0.00 175.10 172.81 3hr4 s VAL 570 N 5.09 2.41 0.47 2.92 1.01 0.32 -4.94 120.40 127.67 3hr4 s VAL 570 Ca 0.50 -1.53 -0.20 0.00 0.00 0.00 0.00 61.98 60.75 3hr4 s VAL 570 Cb -0.09 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.16 3hr4 s VAL 570 CO 0.29 0.20 0.99 0.00 0.00 0.00 0.00 175.10 176.58 3hr4 h MET 572 N 1.61 0.18 0.00 0.00 2.86 -1.53 -2.09 114.93 115.96 3hr4 h MET 572 Ca -0.49 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 3hr4 h MET 572 Cb 1.19 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.82 3hr4 h MET 572 CO 0.60 0.12 0.00 -0.40 1.06 0.00 0.00 176.91 178.29 3hr4 n ASP 573 N -5.02 0.00 0.00 1.22 5.75 -1.14 -1.60 116.55 115.76 3hr4 n ASP 573 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 3hr4 n ASP 573 Cb 0.06 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 3hr4 n ASP 573 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3hr4 n LYS 574 N -0.67 3.03 -1.87 0.11 4.76 -0.81 -5.02 118.16 117.70 3hr4 n LYS 574 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 3hr4 n LYS 574 Cb 0.00 -0.99 -0.03 0.00 -1.84 0.00 0.00 35.03 32.17 3hr4 n LYS 574 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3hr4 s TYR 575 N -1.98 2.76 -0.30 2.13 5.04 -0.63 -4.99 117.35 119.38 3hr4 s TYR 575 Ca 0.00 0.42 -0.13 0.00 -2.44 0.00 0.00 57.07 54.92 3hr4 s TYR 575 Cb 0.00 -4.01 -0.04 0.00 0.35 0.00 0.00 41.96 38.27 3hr4 s TYR 575 CO 0.00 -3.88 0.27 1.03 -1.34 0.00 0.00 175.55 171.63 3hr4 s ARG 576 N 1.73 3.84 0.29 4.97 1.81 -1.26 -4.96 118.95 125.36 3hr4 s ARG 576 Ca 0.73 -0.30 0.19 0.00 -1.72 0.00 0.00 55.73 54.63 3hr4 s ARG 576 Cb -0.44 -3.70 1.00 0.00 -0.45 0.00 0.00 34.95 31.36 3hr4 s ARG 576 CO 0.32 -0.30 1.11 1.28 -0.68 0.00 0.00 175.30 177.04 3hr4 n LEU 577 N 5.18 0.20 -0.25 2.53 7.99 -1.26 -0.51 117.00 130.88 3hr4 n LEU 577 Ca -0.12 1.08 0.06 0.00 -0.01 0.00 0.00 56.01 57.03 3hr4 n LEU 577 Cb 0.51 -0.53 0.19 0.00 -0.11 0.00 0.00 43.42 43.48 3hr4 n LEU 577 CO 0.36 -1.20 0.93 0.77 -1.51 0.00 0.00 177.39 176.74 3hr4 h SER 578 N 0.00 0.01 -0.70 -1.43 4.64 -1.99 -0.61 113.55 113.47 3hr4 h SER 578 Ca 0.61 0.15 0.19 0.00 -0.47 0.00 0.00 61.79 62.27 3hr4 h SER 578 Cb 1.79 0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 64.05 3hr4 h SER 578 CO -0.44 -0.04 0.49 0.00 -0.87 0.00 0.00 176.83 175.97 3hr4 h LEU 580 N 0.10 0.29 -6.06 0.00 3.38 -1.27 -0.41 115.31 111.34 3hr4 h LEU 580 Ca 0.34 0.15 -0.73 0.00 0.09 0.00 0.00 57.88 57.72 3hr4 h LEU 580 Cb 1.21 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.98 3hr4 h LEU 580 CO -0.04 -0.17 2.55 1.21 0.09 0.00 0.00 178.44 182.08 3hr4 n GLU 581 N -4.76 3.59 0.00 1.13 4.07 -0.53 -3.14 120.64 121.00 3hr4 n GLU 581 Ca 0.36 -3.15 0.00 0.00 -0.06 0.00 0.00 57.16 54.30 3hr4 n GLU 581 Cb 1.32 -2.96 0.00 0.00 -0.06 0.00 0.00 31.44 29.74 3hr4 n GLU 581 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 3hr4 n GLU 582 N 4.07 0.00 -0.95 5.31 0.28 -0.19 -5.04 120.64 124.12 3hr4 n GLU 582 Ca 0.50 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 57.19 3hr4 n GLU 582 Cb 0.34 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.22 3hr4 n GLU 582 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3hr4 n GLU 583 N -1.66 0.00 0.00 3.44 4.07 -1.05 -4.93 120.64 120.50 3hr4 n GLU 583 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3hr4 n GLU 583 Cb 0.00 -0.81 0.00 0.00 -0.06 0.00 0.00 31.44 30.57 3hr4 n GLU 583 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3hr4 n ARG 584 N 1.43 3.08 -3.16 5.31 1.74 -1.26 -4.68 116.66 119.12 3hr4 n ARG 584 Ca 0.04 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.17 3hr4 n ARG 584 Cb 0.40 -0.66 -0.01 0.00 -1.02 0.00 0.00 32.46 31.17 3hr4 n ARG 584 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3hr4 s LEU 585 N -1.42 -0.92 -0.18 0.55 2.96 -1.26 -3.34 118.68 115.08 3hr4 s LEU 585 Ca 0.00 0.59 -0.04 0.00 -0.22 0.00 0.00 54.13 54.46 3hr4 s LEU 585 Cb 0.00 1.78 -0.02 0.00 0.50 0.00 0.00 46.19 48.44 3hr4 s LEU 585 CO 0.00 -0.17 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.61 3hr4 s LEU 586 N 2.90 3.22 -0.05 -0.68 0.20 -0.69 -2.70 118.68 120.87 3hr4 s LEU 586 Ca 0.10 -0.18 0.06 0.00 0.69 0.00 0.00 54.13 54.79 3hr4 s LEU 586 Cb -0.13 -1.79 -0.01 0.00 -0.43 0.00 0.00 46.19 43.83 3hr4 s LEU 586 CO -0.16 0.11 -0.23 -0.76 -0.29 0.00 0.00 176.35 175.02 3hr4 s LEU 587 N 0.69 2.03 0.01 -0.68 1.43 -0.85 -2.13 118.68 119.18 3hr4 s LEU 587 Ca -0.01 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.65 3hr4 s LEU 587 Cb -0.14 -1.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 3hr4 s LEU 587 CO 0.02 0.22 -0.12 0.68 0.23 0.00 0.00 176.35 177.39 3hr4 s VAL 588 N -0.12 0.91 -0.13 -1.59 -7.23 -1.15 -0.88 120.40 110.22 3hr4 s VAL 588 Ca -0.04 -0.68 -0.02 0.00 -1.81 0.00 0.00 61.98 59.43 3hr4 s VAL 588 Cb -0.13 -0.80 0.04 0.00 0.56 0.00 0.00 36.38 36.05 3hr4 s VAL 588 CO 0.03 0.11 0.01 -0.69 -0.31 0.00 0.00 175.10 174.25 3hr4 s VAL 589 N -0.54 0.50 0.08 1.32 1.01 -0.76 -0.91 120.40 121.10 3hr4 s VAL 589 Ca 0.02 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 3hr4 s VAL 589 Cb -0.06 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 3hr4 s VAL 589 CO 0.00 0.06 0.18 0.28 0.00 0.00 0.00 175.10 175.63 3hr4 s THR 590 N 1.90 0.14 0.15 3.92 -1.32 -1.05 -2.84 115.64 116.54 3hr4 s THR 590 Ca 0.02 -1.18 0.07 0.00 -1.21 0.00 0.00 61.69 59.39 3hr4 s THR 590 Cb -0.14 -1.31 -0.04 0.00 -1.51 0.00 0.00 72.50 69.50 3hr4 s THR 590 CO -0.07 -0.65 -0.01 -0.94 -2.21 0.00 0.00 174.62 170.74 3hr4 s SER 591 N -2.79 4.78 -0.01 8.08 1.04 -1.25 0.38 113.70 123.93 3hr4 s SER 591 Ca 0.04 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.14 3hr4 s SER 591 Cb 0.04 -1.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.10 3hr4 s SER 591 CO -0.10 0.12 -0.05 -0.89 0.98 0.00 0.00 173.24 173.30 3hr4 s THR 592 N -1.58 3.82 0.13 2.02 2.01 -1.00 -3.61 115.64 117.42 3hr4 s THR 592 Ca 0.26 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.63 3hr4 s THR 592 Cb -0.10 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 3hr4 s THR 592 CO 0.18 0.42 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.06 3hr4 s PHE 593 N -1.00 1.24 0.00 4.92 0.40 0.17 -4.88 117.98 118.83 3hr4 s PHE 593 Ca 0.17 -0.69 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 3hr4 s PHE 593 Cb -0.11 -0.64 0.00 0.00 0.51 0.00 0.00 43.02 42.78 3hr4 s PHE 593 CO 0.07 0.07 0.00 0.41 0.70 0.00 0.00 175.22 176.48 3hr4 n GLY 594 N 0.16 0.35 2.78 4.36 0.00 -1.26 -0.60 105.19 110.98 3hr4 n GLY 594 Ca -0.13 0.68 -0.29 0.00 0.00 0.00 0.00 46.02 46.29 3hr4 n GLY 594 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hr4 s ASN 595 N -4.00 3.88 -1.59 1.61 -0.87 -1.26 -4.80 114.94 107.91 3hr4 s ASN 595 Ca 0.00 -3.23 -0.14 0.00 -1.57 0.00 0.00 52.86 47.91 3hr4 s ASN 595 Cb 0.00 -1.28 0.11 0.00 -0.02 0.00 0.00 41.25 40.06 3hr4 s ASN 595 CO 0.00 -0.18 0.84 0.61 -2.57 0.00 0.00 177.10 175.80 3hr4 n GLY 596 N 2.76 -0.44 3.87 0.66 0.00 -1.23 -4.92 105.19 105.89 3hr4 n GLY 596 Ca 0.15 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 3hr4 n GLY 596 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hr4 s ASP 597 N -3.44 6.25 0.54 1.61 2.15 0.23 -4.30 116.67 119.72 3hr4 s ASP 597 Ca 0.62 0.38 -0.19 0.00 0.43 0.00 0.00 52.55 53.79 3hr4 s ASP 597 Cb -0.32 -1.97 -0.06 0.00 -0.30 0.00 0.00 42.92 40.26 3hr4 s ASP 597 CO 0.88 0.35 1.08 0.00 -0.17 0.00 0.00 175.17 177.30 3hr4 n PRO 599 N -1.41 -2.24 0.48 0.00 -0.02 -1.24 -4.68 135.00 125.89 3hr4 n PRO 599 Ca 0.10 -0.27 -0.19 0.00 -2.02 0.00 0.00 63.50 61.12 3hr4 n PRO 599 Cb 0.52 -0.37 -0.09 0.00 -0.02 0.00 0.00 33.50 33.54 3hr4 n PRO 599 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3hr4 h GLY 600 N -1.45 -1.27 -2.98 -1.23 0.00 -1.96 -3.03 103.07 91.15 3hr4 h GLY 600 Ca -0.07 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3hr4 h GLY 600 CO 0.04 -0.46 0.00 1.16 0.00 0.00 0.00 176.54 177.28 3hr4 n ASN 601 N -5.37 3.03 0.00 0.19 0.23 -1.26 -2.37 115.26 109.71 3hr4 n ASN 601 Ca -0.15 -1.74 0.00 0.00 -0.53 0.00 0.00 54.58 52.16 3hr4 n ASN 601 Cb 0.48 -0.62 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 3hr4 n ASN 601 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hr4 n GLY 602 N 1.40 0.00 0.00 4.83 0.00 -1.14 -2.88 105.19 107.39 3hr4 n GLY 602 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hr4 n GLY 602 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hr4 n GLU 603 N -0.96 0.00 -0.34 1.61 1.02 -1.00 -1.33 120.64 119.63 3hr4 n GLU 603 Ca 0.00 0.38 0.29 0.00 -0.02 0.00 0.00 57.16 57.81 3hr4 n GLU 603 Cb 0.04 -1.04 0.44 0.00 -0.02 0.00 0.00 31.44 30.86 3hr4 n GLU 603 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3hr4 n LYS 604 N -1.00 0.00 -0.10 3.49 4.81 -1.26 -0.74 118.16 123.37 3hr4 n LYS 604 Ca 0.00 0.69 -0.16 0.00 -0.87 0.00 0.00 58.31 57.97 3hr4 n LYS 604 Cb 0.00 -1.63 -0.07 0.00 0.02 0.00 0.00 35.03 33.35 3hr4 n LYS 604 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3hr4 n LEU 605 N -2.98 1.87 -0.14 3.14 7.94 -0.94 -4.12 117.00 121.77 3hr4 n LEU 605 Ca 0.24 0.47 0.24 0.00 -1.11 0.00 0.00 56.01 55.85 3hr4 n LEU 605 Cb 1.19 -0.88 0.67 0.00 0.53 0.00 0.00 43.42 44.94 3hr4 n LEU 605 CO 0.24 -0.00 1.23 0.50 -1.11 0.00 0.00 177.39 178.25 3hr4 h LYS 606 N -1.00 0.08 0.00 1.96 3.64 0.32 0.41 116.57 121.98 3hr4 h LYS 606 Ca -0.24 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3hr4 h LYS 606 Cb 1.05 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3hr4 h LYS 606 CO -0.15 0.05 0.00 1.17 -2.27 0.00 0.00 179.45 178.26 3hr4 n LYS 607 N -4.35 0.22 0.09 1.90 3.00 0.08 -3.23 118.16 115.88 3hr4 n LYS 607 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 3hr4 n LYS 607 Cb 0.80 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 34.43 3hr4 n LYS 607 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3hr4 n SER 608 N -0.91 0.21 -0.36 3.14 7.64 0.14 -4.65 113.62 118.83 3hr4 n SER 608 Ca 0.04 0.29 0.32 0.00 1.01 0.00 0.00 58.87 60.54 3hr4 n SER 608 Cb 0.02 0.12 0.56 0.00 -1.01 0.00 0.00 64.21 63.90 3hr4 n SER 608 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3hr4 n LEU 609 N -3.31 0.23 0.05 -3.43 0.00 -0.65 0.62 117.00 110.51 3hr4 n LEU 609 Ca 0.00 1.29 -0.21 0.00 0.00 0.00 0.00 56.01 57.10 3hr4 n LEU 609 Cb 0.04 -0.63 -0.15 0.00 0.00 0.00 0.00 43.42 42.68 3hr4 n LEU 609 CO 0.00 -1.42 -0.55 -0.26 0.00 0.00 0.00 177.39 175.16 3hr4 h PHE 610 N 0.00 0.59 0.00 1.96 0.04 -1.81 -3.26 116.94 114.46 3hr4 h PHE 610 Ca 0.75 -0.43 0.00 0.00 2.80 0.00 0.00 57.97 61.09 3hr4 h PHE 610 Cb 2.27 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 40.40 3hr4 h PHE 610 CO -0.01 1.61 0.00 0.52 -0.60 0.00 0.00 178.31 179.83 3hr4 h MET 611 N 0.09 0.00 -6.82 1.51 2.86 -0.06 -3.43 114.93 109.08 3hr4 h MET 611 Ca -0.34 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 56.78 3hr4 h MET 611 Cb 2.07 0.00 0.07 0.00 0.06 0.00 0.00 31.60 33.79 3hr4 h MET 611 CO 0.15 0.00 0.71 -1.17 1.06 0.00 0.00 176.91 177.66 3hr4 s LEU 612 N -5.32 4.40 -0.03 1.22 2.96 0.63 -4.97 118.68 117.57 3hr4 s LEU 612 Ca -0.01 2.71 0.03 0.00 -0.22 0.00 0.00 54.13 56.63 3hr4 s LEU 612 Cb 0.09 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 3hr4 s LEU 612 CO 0.36 -0.65 0.01 2.29 -1.32 0.00 0.00 176.35 177.05 3hr4 n LYS 613 N 1.50 3.48 -4.40 1.98 2.85 -1.26 -5.02 118.16 117.28 3hr4 n LYS 613 Ca 0.03 -0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 57.02 3hr4 n LYS 613 Cb 0.41 -1.07 -0.11 0.00 -0.65 0.00 0.00 35.03 33.60 3hr4 n LYS 613 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3hr4 s GLU 614 N -2.07 1.60 -0.43 -1.58 -1.05 -1.26 -5.02 118.70 108.89 3hr4 s GLU 614 Ca -0.01 -1.48 0.08 0.00 -0.15 0.00 0.00 54.97 53.40 3hr4 s GLU 614 Cb 0.01 -1.90 0.18 0.00 -0.44 0.00 0.00 34.13 31.98 3hr4 s GLU 614 CO 0.12 0.41 0.65 -0.51 0.95 0.00 0.00 175.26 176.87 3hr4 s LEU 615 N -2.67 -1.48 0.08 1.83 2.01 -1.26 -5.07 118.68 112.12 3hr4 s LEU 615 Ca 0.21 -1.02 -0.34 0.00 0.01 0.00 0.00 54.13 53.00 3hr4 s LEU 615 Cb -0.08 1.92 -0.17 0.00 0.01 0.00 0.00 46.19 47.87 3hr4 s LEU 615 CO 0.11 -0.15 1.60 0.78 1.01 0.00 0.00 176.35 179.70 3hr4 h ASN 616 N 6.55 -1.02 -2.68 2.29 2.35 -1.97 -3.40 115.58 117.70 3hr4 h ASN 616 Ca 0.05 0.06 -0.56 0.00 -0.55 0.00 0.00 56.30 55.30 3hr4 h ASN 616 Cb 1.16 0.31 -0.03 0.00 0.05 0.00 0.00 38.32 39.81 3hr4 h ASN 616 CO 0.08 -0.61 1.25 0.21 -1.65 0.00 0.00 177.43 176.72 3hr4 s ASN 617 N -4.38 5.88 -1.33 5.81 2.47 -1.26 -4.90 114.94 117.23 3hr4 s ASN 617 Ca -0.18 1.10 -0.06 0.00 0.42 0.00 0.00 52.86 54.14 3hr4 s ASN 617 Cb 0.04 -2.53 0.11 0.00 -1.45 0.00 0.00 41.25 37.42 3hr4 s ASN 617 CO 0.62 -1.75 2.41 0.29 -3.72 0.00 0.00 177.10 174.94 3hr4 n LYS 618 N 8.47 4.56 -0.73 0.43 4.76 -1.26 -4.92 118.16 129.47 3hr4 n LYS 618 Ca 0.21 -3.41 -0.28 0.00 -2.87 0.00 0.00 58.31 51.96 3hr4 n LYS 618 Cb 0.48 -2.63 0.23 0.00 -1.84 0.00 0.00 35.03 31.26 3hr4 n LYS 618 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 3hr4 s PHE 619 N -1.05 1.57 0.61 2.13 -0.12 -1.26 -4.39 117.98 115.47 3hr4 s PHE 619 Ca 0.55 1.12 -0.05 0.00 -0.05 0.00 0.00 56.93 58.50 3hr4 s PHE 619 Cb 0.19 -3.15 0.03 0.00 -0.63 0.00 0.00 43.02 39.46 3hr4 s PHE 619 CO -0.10 -3.60 0.91 1.03 -0.05 0.00 0.00 175.22 173.41 3hr4 s ARG 620 N -4.61 2.63 -0.16 1.99 1.81 -1.21 -2.86 118.95 116.54 3hr4 s ARG 620 Ca 0.68 -0.23 -0.33 0.00 -1.72 0.00 0.00 55.73 54.13 3hr4 s ARG 620 Cb -0.23 -2.28 0.14 0.00 -0.45 0.00 0.00 34.95 32.12 3hr4 s ARG 620 CO 0.63 -0.86 1.14 1.52 -0.68 0.00 0.00 175.30 177.04 3hr4 s TYR 621 N -3.02 -0.19 0.08 -0.53 1.13 -0.71 -1.70 117.35 112.41 3hr4 s TYR 621 Ca 0.56 0.16 -0.02 0.00 -1.41 0.00 0.00 57.07 56.36 3hr4 s TYR 621 Cb -0.11 0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 41.23 3hr4 s TYR 621 CO 0.44 -0.27 0.04 0.00 -2.51 0.00 0.00 175.55 173.24 3hr4 s ALA 622 N -2.28 0.50 -0.03 9.51 0.00 -0.91 0.65 121.76 129.20 3hr4 s ALA 622 Ca 0.07 -1.20 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 3hr4 s ALA 622 Cb -0.01 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.62 3hr4 s ALA 622 CO -0.05 -0.44 0.19 0.08 0.00 0.00 0.00 175.76 175.54 3hr4 s VAL 623 N -3.95 0.05 -0.04 0.00 1.01 -1.26 -2.92 120.40 113.28 3hr4 s VAL 623 Ca 0.12 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 3hr4 s VAL 623 Cb 0.07 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 36.07 3hr4 s VAL 623 CO -0.06 -0.24 0.08 0.12 0.00 0.00 0.00 175.10 175.00 3hr4 s PHE 624 N -0.90 -0.04 0.08 5.22 5.36 -0.09 -1.44 117.98 126.17 3hr4 s PHE 624 Ca -0.10 0.30 0.08 0.00 -0.96 0.00 0.00 56.93 56.26 3hr4 s PHE 624 Cb -0.05 -0.25 -0.04 0.00 -0.34 0.00 0.00 43.02 42.34 3hr4 s PHE 624 CO 0.02 -0.15 -0.18 0.20 -1.46 0.00 0.00 175.22 173.64 3hr4 s GLY 625 N 1.48 1.63 0.01 13.12 0.00 -0.93 -2.53 107.32 120.10 3hr4 s GLY 625 Ca -0.05 -1.28 0.03 0.00 0.00 0.00 0.00 44.72 43.43 3hr4 s GLY 625 CO -0.04 -1.22 -0.05 1.08 0.00 0.00 0.00 173.10 172.88 3hr4 s LEU 626 N -1.80 3.27 0.00 0.66 1.02 0.16 -0.03 118.68 121.97 3hr4 s LEU 626 Ca 0.16 -0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.19 3hr4 s LEU 626 Cb -0.11 -1.89 0.00 0.00 0.02 0.00 0.00 46.19 44.21 3hr4 s LEU 626 CO 0.08 0.27 0.00 0.61 0.02 0.00 0.00 176.35 177.33 3hr4 n GLY 627 N 1.41 0.90 2.84 -3.19 0.00 -0.60 -2.38 105.19 104.17 3hr4 n GLY 627 Ca -0.15 -0.66 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 3hr4 n GLY 627 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hr4 s SER 628 N 1.30 0.46 0.35 1.61 0.15 -1.26 0.81 113.70 117.11 3hr4 s SER 628 Ca 0.00 -0.04 0.25 0.00 0.70 0.00 0.00 55.95 56.86 3hr4 s SER 628 Cb 0.00 -0.22 1.24 0.00 -1.71 0.00 0.00 66.02 65.33 3hr4 s SER 628 CO 0.00 -0.08 1.76 0.77 1.20 0.00 0.00 173.24 176.89 3hr4 h SER 629 N 7.08 0.00 -0.31 5.45 4.64 -1.95 -1.75 113.55 126.71 3hr4 h SER 629 Ca -0.41 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.99 3hr4 h SER 629 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3hr4 h SER 629 CO 0.48 0.00 0.22 -0.03 -0.87 0.00 0.00 176.83 176.63 3hr4 h MET 630 N 0.00 0.07 -6.29 4.77 -1.53 -2.02 -3.42 114.93 106.50 3hr4 h MET 630 Ca 0.00 -0.00 -0.55 0.00 -3.44 0.00 0.00 59.70 55.71 3hr4 h MET 630 Cb 0.14 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.15 3hr4 h MET 630 CO 0.00 0.05 -0.26 0.71 0.14 0.00 0.00 176.91 177.54 3hr4 s TYR 631 N -5.10 3.47 0.02 1.39 2.02 -0.66 -5.06 117.35 113.44 3hr4 s TYR 631 Ca -0.05 0.53 -0.14 0.00 -0.37 0.00 0.00 57.07 57.03 3hr4 s TYR 631 Cb 0.18 -2.00 -0.08 0.00 -0.40 0.00 0.00 41.96 39.67 3hr4 s TYR 631 CO 0.71 0.34 1.17 -1.35 -1.57 0.00 0.00 175.55 174.84 3hr4 h PRO 632 N 2.23 -0.48 -4.48 -1.71 0.11 -1.86 -3.34 132.00 122.46 3hr4 h PRO 632 Ca -0.47 0.03 -0.65 0.00 0.11 0.00 0.00 66.00 65.02 3hr4 h PRO 632 Cb 1.18 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3hr4 h PRO 632 CO 0.69 -0.32 2.48 0.54 -0.21 0.00 0.00 178.00 181.18 3hr4 n ARG 633 N -3.38 2.09 -1.68 1.05 1.74 -1.26 -4.94 116.66 110.28 3hr4 n ARG 633 Ca -0.06 -2.25 -0.44 0.00 -0.77 0.00 0.00 57.85 54.33 3hr4 n ARG 633 Cb 0.20 -3.15 -0.04 0.00 -1.02 0.00 0.00 32.46 28.45 3hr4 n ARG 633 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hr4 n PHE 634 N 7.63 2.50 -4.08 -1.55 7.35 -1.26 -2.19 117.46 125.87 3hr4 n PHE 634 Ca 0.50 -0.15 -0.36 0.00 -0.76 0.00 0.00 57.45 56.68 3hr4 n PHE 634 Cb 0.41 -2.72 -0.02 0.00 0.35 0.00 0.00 39.48 37.49 3hr4 n PHE 634 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3hr4 h ALA 636 N 1.12 0.24 0.00 0.00 0.00 -1.80 -2.47 119.26 116.35 3hr4 h ALA 636 Ca -0.68 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 53.75 3hr4 h ALA 636 Cb 1.39 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3hr4 h ALA 636 CO 0.59 0.31 -0.18 0.35 0.00 0.00 0.00 179.25 180.33 3hr4 h PHE 637 N 0.12 0.00 -0.03 0.00 3.57 -1.84 -1.53 116.94 117.22 3hr4 h PHE 637 Ca -0.00 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.35 3hr4 h PHE 637 Cb 0.97 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.72 3hr4 h PHE 637 CO 0.10 0.18 -0.57 0.00 -2.23 0.00 0.00 178.31 175.79 3hr4 h ALA 638 N 1.82 0.11 0.00 2.41 0.00 -1.87 -2.54 119.26 119.20 3hr4 h ALA 638 Ca -0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 3hr4 h ALA 638 Cb 0.39 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3hr4 h ALA 638 CO 0.02 0.36 -0.21 0.45 0.00 0.00 0.00 179.25 179.86 3hr4 h HIS 639 N -0.04 0.00 0.47 0.00 3.86 -1.11 -1.36 115.15 116.96 3hr4 h HIS 639 Ca -0.06 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 3hr4 h HIS 639 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 3hr4 h HIS 639 CO 0.14 0.21 -0.22 -0.44 0.86 0.00 0.00 177.93 178.48 3hr4 h ASP 640 N 0.00 -0.53 0.10 2.45 5.19 -1.26 -0.87 116.42 121.50 3hr4 h ASP 640 Ca -0.00 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 3hr4 h ASP 640 Cb 0.41 0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.06 3hr4 h ASP 640 CO 0.03 -0.11 -0.05 0.16 -3.12 0.00 0.00 179.24 176.15 3hr4 h ILE 641 N -1.12 0.65 0.00 0.35 -0.00 -1.42 0.34 117.51 116.31 3hr4 h ILE 641 Ca -0.06 -0.19 -0.03 0.00 -0.00 0.00 0.00 64.86 64.58 3hr4 h ILE 641 Cb 0.53 1.11 -0.00 0.00 -0.00 0.00 0.00 36.82 38.46 3hr4 h ILE 641 CO 0.11 0.05 -0.12 -0.78 -0.00 0.00 0.00 178.15 177.40 3hr4 h ASP 642 N 0.00 0.00 0.00 2.16 3.58 -1.20 -3.14 116.42 117.82 3hr4 h ASP 642 Ca -0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 3hr4 h ASP 642 Cb 0.11 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 3hr4 h ASP 642 CO 0.01 0.12 -0.42 1.56 -2.88 0.00 0.00 179.24 177.63 3hr4 h GLN 643 N 0.00 0.00 -0.75 0.28 7.50 0.11 -3.27 115.11 118.98 3hr4 h GLN 643 Ca -0.00 0.00 0.22 0.00 0.50 0.00 0.00 58.65 59.37 3hr4 h GLN 643 Cb 0.90 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.40 3hr4 h GLN 643 CO 0.02 0.36 0.55 -0.22 -1.50 0.00 0.00 178.83 178.04 3hr4 h LYS 644 N -1.00 0.00 0.19 1.46 1.63 -1.16 -0.32 116.57 117.38 3hr4 h LYS 644 Ca -0.07 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 3hr4 h LYS 644 Cb 0.59 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 3hr4 h LYS 644 CO -0.04 0.00 -0.09 -0.07 -3.45 0.00 0.00 179.45 175.79 3hr4 h LEU 645 N 0.00 -0.22 -0.41 5.20 3.38 -1.70 -1.99 115.31 119.57 3hr4 h LEU 645 Ca 0.35 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 58.12 3hr4 h LEU 645 Cb 1.46 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 42.21 3hr4 h LEU 645 CO -0.00 0.17 0.10 -1.28 0.09 0.00 0.00 178.44 177.52 3hr4 h SER 646 N -0.66 0.04 0.08 -0.43 0.87 -1.16 0.15 113.55 112.44 3hr4 h SER 646 Ca -0.03 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3hr4 h SER 646 Cb 0.47 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3hr4 h SER 646 CO 0.04 0.06 -0.01 0.45 -0.53 0.00 0.00 176.83 176.84 3hr4 h HIS 647 N 0.23 0.00 -0.39 2.24 3.86 -1.24 -0.84 115.15 119.02 3hr4 h HIS 647 Ca 0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3hr4 h HIS 647 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3hr4 h HIS 647 CO -0.19 0.01 0.00 1.28 0.86 0.00 0.00 177.93 179.89 3hr4 n LEU 648 N -3.33 4.05 -1.80 2.43 4.77 0.50 -4.92 117.00 118.70 3hr4 n LEU 648 Ca -0.03 -2.05 -0.12 0.00 -0.03 0.00 0.00 56.01 53.78 3hr4 n LEU 648 Cb 0.10 -0.61 0.02 0.00 -2.33 0.00 0.00 43.42 40.60 3hr4 n LEU 648 CO 0.23 0.51 0.03 0.61 -1.33 0.00 0.00 177.39 177.44 3hr4 n GLY 649 N 0.46 0.08 3.82 -0.72 0.00 -0.32 -4.63 105.19 103.89 3hr4 n GLY 649 Ca 0.18 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 3hr4 n GLY 649 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hr4 s ALA 650 N -2.94 3.61 -0.27 4.61 0.00 -1.14 -4.59 121.76 121.04 3hr4 s ALA 650 Ca 0.20 -1.29 -0.10 0.00 0.00 0.00 0.00 51.96 50.77 3hr4 s ALA 650 Cb -0.09 -1.37 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 3hr4 s ALA 650 CO 0.24 0.40 0.16 -1.54 0.00 0.00 0.00 175.76 175.02 3hr4 s SER 651 N -3.43 5.82 -0.54 0.00 1.04 -1.13 -4.61 113.70 110.85 3hr4 s SER 651 Ca 0.32 -0.04 -0.28 0.00 0.48 0.00 0.00 55.95 56.43 3hr4 s SER 651 Cb -0.09 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 63.96 3hr4 s SER 651 CO 0.24 -0.04 1.56 -1.58 0.98 0.00 0.00 173.24 174.41 3hr4 s GLN 652 N 1.66 3.17 0.18 4.02 0.74 -1.26 -1.75 119.66 126.42 3hr4 s GLN 652 Ca 0.07 0.63 -0.13 0.00 0.05 0.00 0.00 55.36 55.98 3hr4 s GLN 652 Cb -0.16 -4.19 0.18 0.00 1.10 0.00 0.00 33.01 29.94 3hr4 s GLN 652 CO 0.09 -2.09 1.72 1.25 -0.55 0.00 0.00 175.29 175.71 3hr4 h LEU 653 N 13.87 0.05 -7.69 3.68 7.12 -0.15 -3.44 115.31 128.75 3hr4 h LEU 653 Ca -0.28 0.08 -0.15 0.00 0.13 0.00 0.00 57.88 57.67 3hr4 h LEU 653 Cb 1.12 0.10 -0.21 0.00 -0.53 0.00 0.00 40.66 41.13 3hr4 h LEU 653 CO 1.16 0.05 -0.47 0.28 -0.13 0.00 0.00 178.44 179.34 3hr4 s THR 654 N -6.14 0.07 0.60 1.05 -1.32 -1.25 -5.04 115.64 103.60 3hr4 s THR 654 Ca -0.13 -0.58 -0.18 0.00 -1.21 0.00 0.00 61.69 59.59 3hr4 s THR 654 Cb 0.15 -0.43 -0.09 0.00 -1.51 0.00 0.00 72.50 70.62 3hr4 s THR 654 CO 0.73 -0.32 0.40 -2.65 -2.21 0.00 0.00 174.62 170.56 3hr4 n PRO 655 N 1.62 0.38 -2.08 7.08 -0.02 -1.26 -4.43 135.00 136.29 3hr4 n PRO 655 Ca -0.21 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.00 3hr4 n PRO 655 Cb 0.56 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 3hr4 n PRO 655 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3hr4 s MET 656 N -2.05 4.21 0.35 -0.52 -2.45 -1.26 -4.64 119.30 112.94 3hr4 s MET 656 Ca 0.66 2.11 -0.03 0.00 -1.25 0.00 0.00 55.69 57.17 3hr4 s MET 656 Cb -0.43 -3.85 -0.04 0.00 1.25 0.00 0.00 34.83 31.76 3hr4 s MET 656 CO 0.57 -0.77 0.61 0.20 1.05 0.00 0.00 175.02 176.68 3hr4 s GLY 657 N 2.84 1.60 -0.00 2.11 0.00 -0.52 -5.00 107.32 108.35 3hr4 s GLY 657 Ca 0.70 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.77 3hr4 s GLY 657 CO 0.28 -0.55 -0.04 -0.54 0.00 0.00 0.00 173.10 172.25 3hr4 s GLU 658 N -4.07 0.32 -0.25 2.90 2.02 -1.26 -2.19 118.70 116.16 3hr4 s GLU 658 Ca 0.43 -0.13 -0.02 0.00 0.02 0.00 0.00 54.97 55.27 3hr4 s GLU 658 Cb -0.10 -0.31 0.02 0.00 0.10 0.00 0.00 34.13 33.84 3hr4 s GLU 658 CO 0.35 0.07 -0.04 0.20 0.02 0.00 0.00 175.26 175.87 3hr4 s GLY 659 N -0.05 1.65 -0.19 -1.39 0.00 0.96 -4.77 107.32 103.54 3hr4 s GLY 659 Ca 0.01 -1.44 -0.22 0.00 0.00 0.00 0.00 44.72 43.07 3hr4 s GLY 659 CO -0.00 0.53 0.68 -0.35 0.00 0.00 0.00 173.10 173.97 3hr4 s ASP 660 N 1.36 6.76 0.62 1.64 2.15 -1.25 -1.56 116.67 126.39 3hr4 s ASP 660 Ca 0.01 0.93 0.38 0.00 0.43 0.00 0.00 52.55 54.30 3hr4 s ASP 660 Cb -0.17 -2.38 2.03 0.00 -0.30 0.00 0.00 42.92 42.11 3hr4 s ASP 660 CO -0.03 -0.30 2.26 -0.08 -0.17 0.00 0.00 175.17 176.84 3hr4 h GLU 661 N 7.42 0.00 0.00 4.34 4.81 0.01 -1.02 114.58 130.14 3hr4 h GLU 661 Ca -0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3hr4 h GLU 661 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3hr4 h GLU 661 CO 0.79 0.02 -0.93 1.28 -0.73 0.00 0.00 179.01 179.44 3hr4 n LEU 662 N -3.30 0.66 -3.75 1.64 4.32 -1.26 -4.84 117.00 110.47 3hr4 n LEU 662 Ca -0.02 -0.13 -0.22 0.00 -0.02 0.00 0.00 56.01 55.61 3hr4 n LEU 662 Cb 0.13 -0.11 -0.18 0.00 -1.62 0.00 0.00 43.42 41.65 3hr4 n LEU 662 CO 0.24 0.11 -0.37 -0.44 -1.22 0.00 0.00 177.39 175.70 3hr4 s SER 663 N -3.51 1.50 0.00 -1.43 0.01 -0.40 -4.98 113.70 104.89 3hr4 s SER 663 Ca 0.06 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.27 3hr4 s SER 663 Cb 0.15 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.00 3hr4 s SER 663 CO 0.80 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.85 3hr4 n GLY 664 N 5.18 0.00 0.27 3.44 0.00 -1.26 -3.75 105.19 109.07 3hr4 n GLY 664 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.01 3hr4 n GLY 664 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3hr4 h GLN 665 N 1.04 0.15 0.62 1.61 4.15 -1.86 -0.04 115.11 120.79 3hr4 h GLN 665 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 3hr4 h GLN 665 Cb 0.00 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 3hr4 h GLN 665 CO 0.00 0.10 -0.47 0.93 -1.93 0.00 0.00 178.83 177.46 3hr4 h GLU 666 N 0.16 -1.02 -0.39 1.69 4.39 -1.89 -0.35 114.58 117.17 3hr4 h GLU 666 Ca 0.42 0.07 0.08 0.00 0.34 0.00 0.00 59.36 60.27 3hr4 h GLU 666 Cb 0.75 0.23 -0.09 0.00 -0.10 0.00 0.00 28.75 29.54 3hr4 h GLU 666 CO -0.61 -0.68 -0.24 -0.44 -1.16 0.00 0.00 179.01 175.88 3hr4 h ASP 667 N -1.05 -0.80 -0.18 1.42 3.32 -1.70 0.18 116.42 117.61 3hr4 h ASP 667 Ca -0.08 0.17 0.03 0.00 0.02 0.00 0.00 57.03 57.17 3hr4 h ASP 667 Cb 0.88 0.41 -0.06 0.00 0.22 0.00 0.00 39.33 40.77 3hr4 h ASP 667 CO 0.02 -0.26 -0.52 0.00 -1.72 0.00 0.00 179.24 176.75 3hr4 h ALA 668 N 1.01 -0.86 -0.31 3.45 0.00 -0.86 0.20 119.26 121.89 3hr4 h ALA 668 Ca 0.19 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3hr4 h ALA 668 Cb 0.47 1.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 3hr4 h ALA 668 CO -0.49 -1.06 -0.47 0.35 0.00 0.00 0.00 179.25 177.58 3hr4 h PHE 669 N -0.53 -1.38 -0.68 0.00 3.57 0.13 -0.56 116.94 117.50 3hr4 h PHE 669 Ca 0.04 0.07 0.14 0.00 3.53 0.00 0.00 57.97 61.74 3hr4 h PHE 669 Cb 0.64 0.65 -0.10 0.00 2.79 0.00 0.00 35.95 39.92 3hr4 h PHE 669 CO -0.61 -0.48 0.14 0.00 -2.23 0.00 0.00 178.31 175.13 3hr4 h ARG 670 N -0.41 0.24 -0.31 1.11 3.08 -0.24 0.34 114.38 118.19 3hr4 h ARG 670 Ca 0.10 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.14 3hr4 h ARG 670 Cb 0.61 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3hr4 h ARG 670 CO -0.52 0.16 0.19 1.03 -1.07 0.00 0.00 179.97 179.76 3hr4 h SER 671 N 0.25 0.32 -0.26 7.04 0.87 0.20 0.08 113.55 122.04 3hr4 h SER 671 Ca 0.37 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.86 3hr4 h SER 671 Cb 0.60 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3hr4 h SER 671 CO -0.48 0.23 -0.11 -0.25 -0.53 0.00 0.00 176.83 175.69 3hr4 h TRP 672 N 0.39 0.62 -0.23 2.24 7.01 -0.27 -3.17 115.95 122.54 3hr4 h TRP 672 Ca 0.12 -0.15 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 3hr4 h TRP 672 Cb -0.02 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 3hr4 h TRP 672 CO -0.07 0.79 0.14 0.00 -2.79 0.00 0.00 178.44 176.51 3hr4 h ALA 673 N 0.74 0.29 0.27 2.65 0.00 -0.16 -0.30 119.26 122.76 3hr4 h ALA 673 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hr4 h ALA 673 Cb 0.61 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3hr4 h ALA 673 CO 0.04 -0.20 -0.48 0.28 0.00 0.00 0.00 179.25 178.88 3hr4 h VAL 674 N 0.29 0.00 -0.16 0.00 2.07 -1.02 -0.69 116.25 116.73 3hr4 h VAL 674 Ca 0.08 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 3hr4 h VAL 674 Cb 0.02 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 3hr4 h VAL 674 CO -0.02 0.00 -0.15 0.06 0.02 0.00 0.00 177.57 177.48 3hr4 h GLN 675 N -0.80 0.26 0.00 1.57 3.07 -1.56 0.42 115.11 118.07 3hr4 h GLN 675 Ca -0.03 -0.07 -0.07 0.00 0.09 0.00 0.00 58.65 58.58 3hr4 h GLN 675 Cb 0.75 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.27 3hr4 h GLN 675 CO -0.17 0.42 -0.32 0.00 0.09 0.00 0.00 178.83 178.84 3hr4 h THR 676 N 0.24 1.02 0.00 1.86 1.03 -0.69 0.15 112.91 116.52 3hr4 h THR 676 Ca 0.05 -1.20 -0.03 0.00 -0.01 0.00 0.00 66.41 65.22 3hr4 h THR 676 Cb 0.42 1.69 -0.01 0.00 -1.07 0.00 0.00 68.15 69.18 3hr4 h THR 676 CO 0.03 0.32 -0.21 0.15 -0.01 0.00 0.00 175.52 175.79 3hr4 h PHE 677 N 0.00 0.00 0.00 0.00 3.57 -0.37 -2.64 116.94 117.51 3hr4 h PHE 677 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3hr4 h PHE 677 Cb 0.66 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.40 3hr4 h PHE 677 CO 0.00 0.83 0.00 1.17 -2.23 0.00 0.00 178.31 178.08 3hr4 n LYS 678 N -4.62 0.06 -0.00 1.11 3.00 0.14 0.66 118.16 118.51 3hr4 n LYS 678 Ca -0.11 0.21 0.06 0.00 -0.00 0.00 0.00 58.31 58.47 3hr4 n LYS 678 Cb 0.40 -1.50 -0.08 0.00 0.00 0.00 0.00 35.03 33.86 3hr4 n LYS 678 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hr4 n ALA 679 N -1.24 3.49 0.05 3.14 0.00 0.52 -4.28 120.51 122.19 3hr4 n ALA 679 Ca 0.02 -0.36 0.08 0.00 0.00 0.00 0.00 53.44 53.18 3hr4 n ALA 679 Cb 0.03 -0.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.93 3hr4 n ALA 679 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hr4 n ALA 680 N -1.42 2.45 0.22 0.00 0.00 0.21 -3.60 120.51 118.36 3hr4 n ALA 680 Ca 0.02 -0.42 0.11 0.00 0.00 0.00 0.00 53.44 53.15 3hr4 n ALA 680 Cb 0.23 -0.93 0.19 0.00 0.00 0.00 0.00 19.45 18.93 3hr4 n ALA 680 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hr4 h GLU 682 N 0.00 0.00 0.00 0.00 4.57 -1.74 -1.85 114.58 115.56 3hr4 h GLU 682 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3hr4 h GLU 682 Cb 1.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 3hr4 h GLU 682 CO 0.01 0.52 0.00 0.25 -1.18 0.00 0.00 179.01 178.60 3hr4 n THR 683 N -4.63 1.22 0.01 0.32 -2.24 -1.24 -1.71 114.28 106.02 3hr4 n THR 683 Ca -0.11 0.34 0.03 0.00 -2.27 0.00 0.00 64.05 62.04 3hr4 n THR 683 Cb 0.34 -1.19 0.06 0.00 -2.10 0.00 0.00 70.33 67.44 3hr4 n THR 683 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3hr4 n PHE 684 N -1.65 0.16 -3.04 4.78 3.01 -1.08 -5.05 117.46 114.59 3hr4 n PHE 684 Ca 0.02 -0.35 -0.31 0.00 1.01 0.00 0.00 57.45 57.82 3hr4 n PHE 684 Cb 0.13 -0.03 0.03 0.00 -0.01 0.00 0.00 39.48 39.60 3hr4 n PHE 684 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3hr4 n ASP 685 N 0.10 -4.51 -4.54 4.37 8.00 -0.70 -4.86 116.55 114.42 3hr4 n ASP 685 Ca 0.05 -0.12 -0.42 0.00 0.71 0.00 0.00 54.79 55.01 3hr4 n ASP 685 Cb 0.28 -1.30 -0.07 0.00 -0.02 0.00 0.00 41.12 40.00 3hr4 n ASP 685 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hr4 s VAL 686 N -1.17 4.95 -0.05 2.53 1.01 -0.74 -5.00 120.40 121.94 3hr4 s VAL 686 Ca 0.30 0.23 -0.40 0.00 0.00 0.00 0.00 61.98 62.12 3hr4 s VAL 686 Cb -0.03 -4.05 -0.19 0.00 0.00 0.00 0.00 36.38 32.10 3hr4 s VAL 686 CO 0.68 -0.36 1.22 0.54 0.00 0.00 0.00 175.10 177.19 3hr4 n ARG 687 N 5.91 0.32 -1.17 2.72 1.74 -1.26 0.41 116.66 125.33 3hr4 n ARG 687 Ca -0.04 0.12 -0.06 0.00 -0.77 0.00 0.00 57.85 57.10 3hr4 n ARG 687 Cb 0.48 -1.66 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 3hr4 n ARG 687 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hr4 n GLY 688 N 2.14 0.74 0.43 -0.13 0.00 -1.26 -4.91 105.19 102.21 3hr4 n GLY 688 Ca 0.21 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 3hr4 n GLY 688 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hr4 h LYS 689 N 0.22 -0.26 -0.51 1.61 2.10 -0.42 -2.88 116.57 116.44 3hr4 h LYS 689 Ca -0.12 0.02 0.09 0.00 -2.00 0.00 0.00 60.65 58.63 3hr4 h LYS 689 Cb 0.68 0.06 -0.09 0.00 -0.90 0.00 0.00 32.23 31.98 3hr4 h LYS 689 CO 0.18 -0.17 -0.17 0.00 -2.00 0.00 0.00 179.45 177.28 3hr4 n GLN 690 N -5.36 -0.09 -3.42 0.07 0.00 -1.26 -2.59 117.38 104.73 3hr4 n GLN 690 Ca -0.01 0.79 -0.43 0.00 0.00 0.00 0.00 57.00 57.35 3hr4 n GLN 690 Cb 0.33 -1.17 -0.02 0.00 0.00 0.00 0.00 30.24 29.37 3hr4 n GLN 690 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 3hr4 s HIS 691 N -5.54 4.05 -0.05 2.61 3.76 -1.09 -5.02 115.29 114.02 3hr4 s HIS 691 Ca -0.07 -2.63 0.01 0.00 -0.15 0.00 0.00 55.06 52.21 3hr4 s HIS 691 Cb 0.12 -3.68 0.02 0.00 1.11 0.00 0.00 32.58 30.15 3hr4 s HIS 691 CO 0.38 -0.91 -0.05 -1.50 -0.85 0.00 0.00 174.74 171.81 3hr4 s ILE 692 N -0.95 0.62 0.11 0.60 2.07 -1.07 -5.03 121.20 117.56 3hr4 s ILE 692 Ca 0.27 -0.15 -0.30 0.00 -1.41 0.00 0.00 60.65 59.06 3hr4 s ILE 692 Cb -0.10 -0.65 -0.06 0.00 0.13 0.00 0.00 42.46 41.78 3hr4 s ILE 692 CO -0.09 0.25 1.01 -1.10 -1.91 0.00 0.00 174.94 173.11 3hr4 s GLN 693 N 1.04 4.64 0.07 3.50 -1.52 -1.26 -5.07 119.66 121.06 3hr4 s GLN 693 Ca -0.09 1.53 0.07 0.00 -1.95 0.00 0.00 55.36 54.92 3hr4 s GLN 693 Cb -0.14 -3.36 -0.03 0.00 -0.22 0.00 0.00 33.01 29.26 3hr4 s GLN 693 CO -0.00 0.13 -0.19 0.96 -0.25 0.00 0.00 175.29 175.93 3hr4 s ILE 694 N 0.10 1.51 0.00 1.08 -4.36 -1.26 -4.99 121.20 113.28 3hr4 s ILE 694 Ca 0.49 -1.33 0.00 0.00 -0.26 0.00 0.00 60.65 59.55 3hr4 s ILE 694 Cb -0.25 -1.37 0.00 0.00 1.25 0.00 0.00 42.46 42.09 3hr4 s ILE 694 CO 0.31 -0.01 0.07 -2.65 0.24 0.00 0.00 174.94 172.90 3hr4 n PRO 695 N 1.44 0.00 0.00 0.37 -0.02 -1.26 -4.63 135.00 130.90 3hr4 n PRO 695 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3hr4 n PRO 695 Cb 0.54 -0.28 0.00 0.00 -0.02 0.00 0.00 33.50 33.74 3hr4 n PRO 695 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hr4 n LYS 696 N -0.14 0.00 0.00 -0.52 4.76 -1.26 -4.63 118.16 116.37 3hr4 n LYS 696 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 3hr4 n LYS 696 Cb 0.07 -1.61 0.53 0.00 -1.84 0.00 0.00 35.03 32.17 3hr4 n LYS 696 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 3hr4 n LEU 697 N 0.00 0.39 -2.05 -0.35 -0.00 -1.26 -2.83 117.00 110.89 3hr4 n LEU 697 Ca 0.00 0.11 -0.14 0.00 -0.00 0.00 0.00 56.01 55.98 3hr4 n LEU 697 Cb 0.00 -0.27 0.24 0.00 -0.00 0.00 0.00 43.42 43.40 3hr4 n LEU 697 CO 0.00 0.08 1.13 -1.22 -0.00 0.00 0.00 177.39 177.38 3hr4 n TYR 698 N -1.18 2.65 -0.46 1.47 4.01 -1.26 -5.04 117.16 117.36 3hr4 n TYR 698 Ca 0.11 -1.53 0.00 0.00 -0.16 0.00 0.00 57.90 56.32 3hr4 n TYR 698 Cb 0.31 -0.80 0.00 0.00 -0.31 0.00 0.00 39.34 38.54 3hr4 n TYR 698 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65