#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hr4 s ILE 513 N 0.00 4.65 0.58 3.84 2.07 -1.26 -5.05 121.20 126.04 3hr4 s ILE 513 Ca 0.00 1.99 -0.09 0.00 -1.41 0.00 0.00 60.65 61.13 3hr4 s ILE 513 Cb 0.00 -4.27 -0.04 0.00 0.13 0.00 0.00 42.46 38.28 3hr4 s ILE 513 CO 0.00 0.20 0.96 -2.16 -1.91 0.00 0.00 174.94 172.03 3hr4 s PRO 514 N 0.70 3.57 0.11 3.50 0.04 -1.26 -4.84 135.00 136.81 3hr4 s PRO 514 Ca 0.51 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 3hr4 s PRO 514 Cb -0.23 -2.16 -0.10 0.00 0.04 0.00 0.00 34.50 32.05 3hr4 s PRO 514 CO 0.29 -0.48 1.62 -0.07 0.04 0.00 0.00 177.00 178.40 3hr4 h LEU 515 N -0.18 -0.90 -1.86 -3.56 3.38 -1.98 0.16 115.31 110.38 3hr4 h LEU 515 Ca -0.45 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3hr4 h LEU 515 Cb 1.20 0.33 0.00 0.00 0.09 0.00 0.00 40.66 42.28 3hr4 h LEU 515 CO 0.62 -0.42 0.30 0.07 0.09 0.00 0.00 178.44 179.10 3hr4 h LYS 516 N -0.58 0.00 0.00 1.13 2.10 -1.98 0.59 116.57 117.83 3hr4 h LYS 516 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3hr4 h LYS 516 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 3hr4 h LYS 516 CO -0.15 0.00 -0.52 0.28 -2.00 0.00 0.00 179.45 177.06 3hr4 n VAL 517 N -2.75 1.28 -0.32 0.07 0.31 -0.57 -3.97 118.33 112.38 3hr4 n VAL 517 Ca -0.02 0.24 0.15 0.00 -0.01 0.00 0.00 64.34 64.70 3hr4 n VAL 517 Cb 0.35 -2.30 0.34 0.00 -0.91 0.00 0.00 33.84 31.32 3hr4 n VAL 517 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3hr4 h LEU 518 N -0.90 0.43 -1.24 7.52 5.85 -0.06 0.16 115.31 127.07 3hr4 h LEU 518 Ca 0.00 0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.96 3hr4 h LEU 518 Cb 0.52 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 3hr4 h LEU 518 CO 0.00 0.01 0.56 0.58 -0.34 0.00 0.00 178.44 179.25 3hr4 h VAL 519 N 0.44 0.99 0.00 1.05 2.07 -0.03 -1.50 116.25 119.27 3hr4 h VAL 519 Ca 0.59 -0.30 -0.13 0.00 0.82 0.00 0.00 66.70 67.69 3hr4 h VAL 519 Cb 1.15 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3hr4 h VAL 519 CO -0.52 0.16 -0.61 0.11 0.02 0.00 0.00 177.57 176.73 3hr4 h LYS 520 N 0.87 0.00 -0.14 1.57 1.57 -0.82 -2.51 116.57 117.11 3hr4 h LYS 520 Ca 0.39 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.02 3hr4 h LYS 520 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3hr4 h LYS 520 CO -0.15 0.61 -0.55 0.00 -0.57 0.00 0.00 179.45 178.79 3hr4 h ALA 521 N 1.39 0.81 0.01 3.86 0.00 -0.97 -2.31 119.26 122.04 3hr4 h ALA 521 Ca -0.01 -0.51 -0.19 0.00 0.00 0.00 0.00 54.91 54.20 3hr4 h ALA 521 Cb 1.31 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3hr4 h ALA 521 CO 0.08 0.69 -0.89 -0.24 0.00 0.00 0.00 179.25 178.89 3hr4 h VAL 522 N 0.31 1.58 -0.60 0.00 3.04 -1.29 -2.74 116.25 116.55 3hr4 h VAL 522 Ca 0.01 -2.87 -0.07 0.00 -1.01 0.00 0.00 66.70 62.76 3hr4 h VAL 522 Cb 1.06 2.58 -0.03 0.00 -2.01 0.00 0.00 31.29 32.89 3hr4 h VAL 522 CO 0.09 0.83 0.09 0.25 -1.01 0.00 0.00 177.57 177.82 3hr4 h LEU 523 N 0.04 0.92 -0.05 3.16 6.46 -1.34 0.13 115.31 124.63 3hr4 h LEU 523 Ca -0.03 -0.20 0.01 0.00 -0.12 0.00 0.00 57.88 57.54 3hr4 h LEU 523 Cb 1.55 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 41.23 3hr4 h LEU 523 CO 0.12 0.92 -0.01 0.15 -0.62 0.00 0.00 178.44 179.01 3hr4 h PHE 524 N 0.91 -0.02 -0.21 1.25 3.57 -1.33 0.22 116.94 121.33 3hr4 h PHE 524 Ca 0.19 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3hr4 h PHE 524 Cb 0.40 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3hr4 h PHE 524 CO 0.03 -0.02 0.08 0.00 -2.23 0.00 0.00 178.31 176.17 3hr4 h ALA 525 N 1.05 0.27 -0.94 2.41 0.00 -1.14 -2.05 119.26 118.86 3hr4 h ALA 525 Ca 0.02 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3hr4 h ALA 525 Cb 0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3hr4 h ALA 525 CO -0.05 -0.12 0.62 0.00 0.00 0.00 0.00 179.25 179.70 3hr4 h MET 527 N 1.25 0.99 0.02 0.00 2.07 -0.30 0.34 114.93 119.29 3hr4 h MET 527 Ca 0.35 -0.06 -0.11 0.00 -2.07 0.00 0.00 59.70 57.81 3hr4 h MET 527 Cb -0.11 -0.22 0.01 0.00 -1.87 0.00 0.00 31.60 29.41 3hr4 h MET 527 CO -0.09 0.65 -0.46 -0.07 1.07 0.00 0.00 176.91 178.02 3hr4 h LEU 528 N 1.02 0.38 -1.82 1.22 3.38 -0.39 -3.23 115.31 115.87 3hr4 h LEU 528 Ca 0.33 -0.80 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 3hr4 h LEU 528 Cb 0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3hr4 h LEU 528 CO -0.10 1.13 -0.15 0.24 0.09 0.00 0.00 178.44 179.66 3hr4 h MET 529 N -0.34 0.00 -0.54 1.13 2.86 0.16 -2.34 114.93 115.87 3hr4 h MET 529 Ca -0.06 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.64 3hr4 h MET 529 Cb 1.21 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.82 3hr4 h MET 529 CO 0.09 0.15 0.26 -0.09 1.06 0.00 0.00 176.91 178.37 3hr4 h ARG 530 N 0.00 0.48 0.33 1.72 2.43 -0.35 0.33 114.38 119.32 3hr4 h ARG 530 Ca -0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3hr4 h ARG 530 Cb 0.35 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3hr4 h ARG 530 CO 0.02 0.32 -0.16 -0.22 -1.51 0.00 0.00 179.97 178.42 3hr4 h LYS 531 N 0.49 -0.42 -0.65 0.20 1.63 -1.47 -1.84 116.57 114.51 3hr4 h LYS 531 Ca 0.25 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.05 3hr4 h LYS 531 Cb 0.19 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 3hr4 h LYS 531 CO -0.19 -0.11 0.30 1.79 -3.45 0.00 0.00 179.45 177.78 3hr4 h THR 532 N -0.76 1.22 -0.48 1.00 1.35 -1.39 -2.46 112.91 111.38 3hr4 h THR 532 Ca -0.04 -0.63 -0.10 0.00 -0.55 0.00 0.00 66.41 65.09 3hr4 h THR 532 Cb 0.51 0.39 -0.02 0.00 -1.73 0.00 0.00 68.15 67.30 3hr4 h THR 532 CO 0.07 0.26 -0.08 -0.03 -0.25 0.00 0.00 175.52 175.49 3hr4 h MET 533 N 0.93 0.87 -0.05 4.72 1.85 -0.34 -2.62 114.93 120.29 3hr4 h MET 533 Ca 0.23 -0.29 0.01 0.00 -0.61 0.00 0.00 59.70 59.04 3hr4 h MET 533 Cb 0.12 -0.07 -0.00 0.00 0.43 0.00 0.00 31.60 32.07 3hr4 h MET 533 CO -0.03 0.92 0.03 0.00 -0.40 0.00 0.00 176.91 177.43 3hr4 h ALA 534 N 1.12 2.02 -0.01 0.39 0.00 -0.84 -1.94 119.26 120.00 3hr4 h ALA 534 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hr4 h ALA 534 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hr4 h ALA 534 CO 0.04 -0.06 -0.40 -1.13 0.00 0.00 0.00 179.25 177.69 3hr4 n SER 535 N -4.49 1.48 -4.90 0.00 3.41 -1.04 -4.96 113.62 103.12 3hr4 n SER 535 Ca -0.02 -1.17 -0.29 0.00 -0.26 0.00 0.00 58.87 57.14 3hr4 n SER 535 Cb 0.14 0.34 0.07 0.00 -0.26 0.00 0.00 64.21 64.50 3hr4 n SER 535 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3hr4 s ARG 536 N -2.53 2.32 0.06 4.33 3.52 -0.73 -5.03 118.95 120.89 3hr4 s ARG 536 Ca 0.20 0.15 -0.24 0.00 -0.13 0.00 0.00 55.73 55.71 3hr4 s ARG 536 Cb 0.18 -2.03 -0.06 0.00 -1.56 0.00 0.00 34.95 31.49 3hr4 s ARG 536 CO 0.57 -1.32 0.75 0.08 -0.81 0.00 0.00 175.30 174.56 3hr4 s VAL 537 N -3.43 4.70 -0.05 7.11 1.01 -1.26 -4.80 120.40 123.68 3hr4 s VAL 537 Ca 0.60 1.60 -0.30 0.00 0.00 0.00 0.00 61.98 63.88 3hr4 s VAL 537 Cb -0.11 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3hr4 s VAL 537 CO 0.49 0.39 1.09 -0.60 0.00 0.00 0.00 175.10 176.47 3hr4 s ARG 538 N -0.24 4.42 -0.04 2.72 3.52 -1.26 -1.24 118.95 126.83 3hr4 s ARG 538 Ca 0.37 1.54 0.05 0.00 -0.13 0.00 0.00 55.73 57.56 3hr4 s ARG 538 Cb -0.21 -3.51 -0.01 0.00 -1.56 0.00 0.00 34.95 29.67 3hr4 s ARG 538 CO 0.23 -0.31 -0.21 0.08 -0.81 0.00 0.00 175.30 174.29 3hr4 s VAL 539 N 1.79 1.69 -0.03 7.11 1.01 -0.73 -4.19 120.40 127.05 3hr4 s VAL 539 Ca 0.53 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.67 3hr4 s VAL 539 Cb -0.22 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3hr4 s VAL 539 CO 0.22 0.48 -0.13 -0.89 0.00 0.00 0.00 175.10 174.78 3hr4 s THR 540 N -0.16 3.18 -0.20 3.92 2.01 -0.91 -2.41 115.64 121.07 3hr4 s THR 540 Ca -0.01 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.20 3hr4 s THR 540 Cb -0.11 -2.29 0.05 0.00 0.01 0.00 0.00 72.50 70.16 3hr4 s THR 540 CO 0.02 0.51 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.80 3hr4 s ILE 541 N -0.82 1.18 -0.20 1.82 1.01 -1.08 -0.25 121.20 122.86 3hr4 s ILE 541 Ca 0.13 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.82 3hr4 s ILE 541 Cb -0.11 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 3hr4 s ILE 541 CO 0.03 -0.03 0.12 -0.76 0.00 0.00 0.00 174.94 174.29 3hr4 s LEU 542 N 1.57 4.14 0.44 2.97 1.43 0.13 -1.27 118.68 128.09 3hr4 s LEU 542 Ca -0.02 0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 3hr4 s LEU 542 Cb -0.17 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 3hr4 s LEU 542 CO -0.07 0.18 0.03 0.72 0.23 0.00 0.00 176.35 177.44 3hr4 s PHE 543 N 0.38 2.05 -0.28 0.29 -0.71 -1.16 0.69 117.98 119.23 3hr4 s PHE 543 Ca 0.07 -0.94 -0.21 0.00 -1.04 0.00 0.00 56.93 54.82 3hr4 s PHE 543 Cb -0.11 -1.53 0.12 0.00 -1.21 0.00 0.00 43.02 40.28 3hr4 s PHE 543 CO -0.01 0.17 0.94 0.00 -1.34 0.00 0.00 175.22 174.97 3hr4 s ALA 544 N -2.95 -2.04 0.25 1.99 0.00 -1.15 -3.01 121.76 114.84 3hr4 s ALA 544 Ca 0.21 2.08 -0.20 0.00 0.00 0.00 0.00 51.96 54.05 3hr4 s ALA 544 Cb 0.05 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.69 3hr4 s ALA 544 CO 0.11 -0.30 0.65 -0.08 0.00 0.00 0.00 175.76 176.13 3hr4 s THR 545 N 0.82 0.00 0.00 0.00 -1.32 -1.26 -2.64 115.64 111.24 3hr4 s THR 545 Ca -0.03 -0.87 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 3hr4 s THR 545 Cb -0.05 -1.81 0.00 0.00 -1.51 0.00 0.00 72.50 69.13 3hr4 s THR 545 CO -0.10 -0.02 0.00 -0.62 -2.21 0.00 0.00 174.62 171.67 3hr4 n GLU 546 N -0.42 0.00 0.00 7.08 -0.58 -1.26 -4.72 120.64 120.74 3hr4 n GLU 546 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 3hr4 n GLU 546 Cb 0.61 -0.01 0.00 0.00 -0.57 0.00 0.00 31.44 31.47 3hr4 n GLU 546 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3hr4 n THR 547 N -2.51 0.00 -3.11 2.62 -2.24 -1.26 -4.87 114.28 102.90 3hr4 n THR 547 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 3hr4 n THR 547 Cb 0.00 -0.31 0.02 0.00 -2.10 0.00 0.00 70.33 67.94 3hr4 n THR 547 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hr4 n GLY 548 N 0.16 -0.85 0.69 3.38 0.00 -1.26 -4.97 105.19 102.33 3hr4 n GLY 548 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 46.02 47.17 3hr4 n GLY 548 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hr4 n LYS 549 N -0.47 0.00 0.00 1.61 5.02 -1.26 -4.75 118.16 118.30 3hr4 n LYS 549 Ca 0.03 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.35 3hr4 n LYS 549 Cb 0.54 -0.23 0.15 0.00 -0.02 0.00 0.00 35.03 35.47 3hr4 n LYS 549 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hr4 n SER 550 N -1.84 0.00 -0.08 4.39 7.64 -1.26 -1.59 113.62 120.87 3hr4 n SER 550 Ca 0.00 0.50 -0.12 0.00 1.01 0.00 0.00 58.87 60.25 3hr4 n SER 550 Cb 0.00 -0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 62.62 3hr4 n SER 550 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3hr4 h GLU 551 N 0.00 0.00 -0.22 1.43 4.81 -1.87 -3.13 114.58 115.61 3hr4 h GLU 551 Ca 0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3hr4 h GLU 551 Cb 0.12 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 3hr4 h GLU 551 CO 0.00 0.66 -0.15 0.00 -0.73 0.00 0.00 179.01 178.79 3hr4 h ALA 552 N -0.49 0.01 0.00 2.92 0.00 -1.68 0.28 119.26 120.30 3hr4 h ALA 552 Ca -0.11 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hr4 h ALA 552 Cb 0.84 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3hr4 h ALA 552 CO -0.07 -0.57 0.00 1.28 0.00 0.00 0.00 179.25 179.89 3hr4 n LEU 553 N -5.31 0.00 -0.11 0.00 4.77 -0.62 -1.02 117.00 114.72 3hr4 n LEU 553 Ca -0.01 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 56.01 3hr4 n LEU 553 Cb 0.22 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 41.00 3hr4 n LEU 553 CO 0.19 -0.15 -1.21 0.00 -1.33 0.00 0.00 177.39 174.90 3hr4 n ALA 554 N -1.17 1.47 0.18 -1.18 0.00 0.86 -3.18 120.51 117.48 3hr4 n ALA 554 Ca 0.03 -1.22 0.06 0.00 0.00 0.00 0.00 53.44 52.30 3hr4 n ALA 554 Cb 0.03 -0.18 0.23 0.00 0.00 0.00 0.00 19.45 19.53 3hr4 n ALA 554 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3hr4 h TRP 555 N 0.00 0.00 0.69 0.00 6.55 0.14 -1.83 115.95 121.51 3hr4 h TRP 555 Ca -0.55 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 59.25 3hr4 h TRP 555 Cb 2.11 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 30.41 3hr4 h TRP 555 CO 0.01 0.38 -0.33 -0.44 -1.05 0.00 0.00 178.44 177.01 3hr4 h ASP 556 N 0.00 -0.79 -0.81 -3.49 5.19 -1.22 -1.01 116.42 114.29 3hr4 h ASP 556 Ca -0.00 0.03 0.15 0.00 -0.62 0.00 0.00 57.03 56.58 3hr4 h ASP 556 Cb 1.07 0.20 -0.15 0.00 0.18 0.00 0.00 39.33 40.64 3hr4 h ASP 556 CO 0.05 -0.44 -0.27 0.25 -3.12 0.00 0.00 179.24 175.71 3hr4 h LEU 557 N -1.19 -0.99 -1.00 1.55 5.85 -1.47 0.30 115.31 118.36 3hr4 h LEU 557 Ca -0.10 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3hr4 h LEU 557 Cb 0.72 0.58 -0.04 0.00 0.37 0.00 0.00 40.66 42.28 3hr4 h LEU 557 CO 0.16 -0.29 0.54 1.23 -0.34 0.00 0.00 178.44 179.74 3hr4 h GLY 558 N -0.04 1.31 1.54 3.75 0.00 -1.29 -0.68 103.07 107.67 3hr4 h GLY 558 Ca 0.35 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3hr4 h GLY 558 CO -0.85 0.53 0.09 0.00 0.00 0.00 0.00 176.54 176.32 3hr4 h ALA 559 N 1.35 1.42 0.14 3.60 0.00 0.91 -0.39 119.26 126.29 3hr4 h ALA 559 Ca 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hr4 h ALA 559 Cb -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3hr4 h ALA 559 CO -0.06 0.42 -0.07 1.25 0.00 0.00 0.00 179.25 180.80 3hr4 h LEU 560 N 0.57 -0.15 -2.04 0.00 6.46 -0.25 -3.11 115.31 116.79 3hr4 h LEU 560 Ca 0.13 -0.34 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 3hr4 h LEU 560 Cb 0.23 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 3hr4 h LEU 560 CO -0.00 0.29 0.00 -0.26 -0.62 0.00 0.00 178.44 177.85 3hr4 h PHE 561 N -0.64 0.00 0.00 1.25 -1.00 -0.90 -1.89 116.94 113.76 3hr4 h PHE 561 Ca -0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 3hr4 h PHE 561 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 3hr4 h PHE 561 CO 0.06 0.00 0.00 -1.13 -1.61 0.00 0.00 178.31 175.63 3hr4 n SER 562 N -2.73 0.00 0.02 2.17 3.41 -0.18 0.64 113.62 116.95 3hr4 n SER 562 Ca -0.01 -1.10 0.12 0.00 -0.26 0.00 0.00 58.87 57.61 3hr4 n SER 562 Cb 0.11 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.25 3hr4 n SER 562 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hr4 n ALA 564 N -1.66 0.33 -3.80 0.00 0.00 -0.74 -4.92 120.51 109.73 3hr4 n ALA 564 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3hr4 n ALA 564 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.23 0.00 -3.82 0.00 3.01 0.21 -4.60 117.46 112.03 3hr4 n PHE 565 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.17 3hr4 n PHE 565 Cb 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.34 3hr4 n PHE 565 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3hr4 s ASN 566 N -0.76 3.99 0.52 4.37 2.47 -0.37 -4.29 114.94 120.86 3hr4 s ASN 566 Ca 0.00 -2.99 0.02 0.00 0.42 0.00 0.00 52.86 50.31 3hr4 s ASN 566 Cb 0.00 -1.34 0.02 0.00 -1.45 0.00 0.00 41.25 38.48 3hr4 s ASN 566 CO 0.00 -0.22 0.73 -2.16 -3.72 0.00 0.00 177.10 171.73 3hr4 s PRO 567 N -0.19 2.66 -0.25 0.43 0.04 -1.26 -1.77 135.00 134.67 3hr4 s PRO 567 Ca 0.19 -0.80 -0.10 0.00 0.04 0.00 0.00 61.00 60.33 3hr4 s PRO 567 Cb -0.21 -2.54 0.10 0.00 0.04 0.00 0.00 34.50 31.89 3hr4 s PRO 567 CO -0.03 -0.58 0.56 0.21 0.04 0.00 0.00 177.00 177.20 3hr4 s LYS 568 N -4.67 0.51 -0.56 4.56 2.47 -1.01 -4.93 119.74 116.11 3hr4 s LYS 568 Ca 0.55 1.19 -0.28 0.00 -1.56 0.00 0.00 55.97 55.88 3hr4 s LYS 568 Cb -0.10 0.44 0.03 0.00 -1.46 0.00 0.00 37.83 36.73 3hr4 s LYS 568 CO 0.38 -0.20 1.22 0.08 0.16 0.00 0.00 175.35 176.98 3hr4 s VAL 569 N 2.33 4.01 -0.10 4.02 1.01 -1.26 -2.65 120.40 127.77 3hr4 s VAL 569 Ca -0.06 0.93 0.01 0.00 0.00 0.00 0.00 61.98 62.86 3hr4 s VAL 569 Cb -0.10 -4.66 -0.02 0.00 0.00 0.00 0.00 36.38 31.60 3hr4 s VAL 569 CO -0.17 -1.25 -0.12 -0.69 0.00 0.00 0.00 175.10 172.87 3hr4 s VAL 570 N 5.02 3.24 0.04 2.92 1.01 -0.40 -4.99 120.40 127.24 3hr4 s VAL 570 Ca 0.45 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.56 3hr4 s VAL 570 Cb -0.08 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 3hr4 s VAL 570 CO 0.27 0.55 0.79 0.00 0.00 0.00 0.00 175.10 176.71 3hr4 n MET 572 N 2.90 -0.21 -0.04 0.00 2.81 -1.16 -0.48 117.12 120.95 3hr4 n MET 572 Ca -0.02 1.30 -0.11 0.00 -1.81 0.00 0.00 57.70 57.07 3hr4 n MET 572 Cb 0.50 -1.93 -0.05 0.00 -0.71 0.00 0.00 33.22 31.03 3hr4 n MET 572 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 3hr4 h ASP 573 N 0.00 -1.23 0.00 7.83 3.04 -1.18 -0.97 116.42 123.91 3hr4 h ASP 573 Ca 0.29 0.18 0.00 0.00 -3.24 0.00 0.00 57.03 54.26 3hr4 h ASP 573 Cb 0.50 0.52 0.00 0.00 -1.04 0.00 0.00 39.33 39.31 3hr4 h ASP 573 CO -0.84 -0.39 0.00 0.29 -2.04 0.00 0.00 179.24 176.27 3hr4 n LYS 574 N -5.42 0.59 -4.58 4.15 4.76 0.37 -4.72 118.16 113.31 3hr4 n LYS 574 Ca -0.03 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.13 3hr4 n LYS 574 Cb 0.35 -1.20 -0.17 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 0.81 1.99 -0.73 2.13 5.04 -0.37 -4.74 117.35 121.47 3hr4 s TYR 575 Ca 0.00 -0.89 -0.26 0.00 -2.44 0.00 0.00 57.07 53.48 3hr4 s TYR 575 Cb 0.00 -1.42 0.04 0.00 0.35 0.00 0.00 41.96 40.93 3hr4 s TYR 575 CO 0.00 -0.44 1.22 1.03 -1.34 0.00 0.00 175.55 176.01 3hr4 s ARG 576 N 0.85 3.18 0.54 4.97 1.81 -1.26 -4.82 118.95 124.22 3hr4 s ARG 576 Ca -0.09 -0.39 0.45 0.00 -1.72 0.00 0.00 55.73 53.98 3hr4 s ARG 576 Cb -0.15 -4.21 1.66 0.00 -0.45 0.00 0.00 34.95 31.79 3hr4 s ARG 576 CO 0.01 -2.08 1.63 -0.07 -0.68 0.00 0.00 175.30 174.10 3hr4 h LEU 577 N 12.66 0.04 -0.60 2.53 -0.00 -1.94 0.60 115.31 128.60 3hr4 h LEU 577 Ca -0.27 0.02 0.05 0.00 -0.00 0.00 0.00 57.88 57.68 3hr4 h LEU 577 Cb 1.05 0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 41.68 3hr4 h LEU 577 CO 1.26 -0.03 0.32 0.77 -0.00 0.00 0.00 178.44 180.76 3hr4 h SER 578 N 0.01 0.46 0.00 -0.43 4.64 -2.02 -2.46 113.55 113.76 3hr4 h SER 578 Ca 0.85 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 62.20 3hr4 h SER 578 Cb 3.30 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 65.33 3hr4 h SER 578 CO -0.08 0.31 0.00 0.00 -0.87 0.00 0.00 176.83 176.19 3hr4 h LEU 580 N 0.38 0.00 0.00 0.00 3.38 -1.56 -2.68 115.31 114.83 3hr4 h LEU 580 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hr4 h LEU 580 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3hr4 h LEU 580 CO 0.00 0.32 0.00 -0.62 0.09 0.00 0.00 178.44 178.23 3hr4 n GLU 581 N -3.26 0.05 -0.00 1.13 -0.58 -1.15 -2.95 120.64 113.87 3hr4 n GLU 581 Ca 0.02 0.08 0.09 0.00 -0.42 0.00 0.00 57.16 56.93 3hr4 n GLU 581 Cb 0.59 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.85 3hr4 n GLU 581 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 3hr4 n GLU 582 N -1.47 0.76 -0.83 3.49 0.28 -1.02 -4.92 120.64 116.93 3hr4 n GLU 582 Ca 0.07 -0.03 -0.29 0.00 -0.16 0.00 0.00 57.16 56.75 3hr4 n GLU 582 Cb 0.27 -1.40 0.23 0.00 1.43 0.00 0.00 31.44 31.97 3hr4 n GLU 582 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3hr4 s GLU 583 N -2.86 -0.68 0.00 3.44 2.56 -1.15 -4.99 118.70 115.01 3hr4 s GLU 583 Ca 0.05 0.52 0.00 0.00 0.00 0.00 0.00 54.97 55.54 3hr4 s GLU 583 Cb 0.14 -1.61 0.00 0.00 2.00 0.00 0.00 34.13 34.66 3hr4 s GLU 583 CO 0.78 -3.48 0.00 0.54 -0.56 0.00 0.00 175.26 172.53 3hr4 n ARG 584 N -4.70 0.76 -3.51 4.30 5.12 -1.26 -4.86 116.66 112.50 3hr4 n ARG 584 Ca 0.05 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.92 3hr4 n ARG 584 Cb 0.57 -0.44 -0.07 0.00 -1.16 0.00 0.00 32.46 31.36 3hr4 n ARG 584 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3hr4 s LEU 585 N -0.86 -0.87 -0.46 0.55 2.96 -1.25 -2.84 118.68 115.92 3hr4 s LEU 585 Ca 0.00 0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 54.82 3hr4 s LEU 585 Cb 0.00 1.64 0.12 0.00 0.50 0.00 0.00 46.19 48.45 3hr4 s LEU 585 CO 0.00 -0.25 0.27 -0.22 -1.32 0.00 0.00 176.35 174.84 3hr4 s LEU 586 N 2.70 5.36 -0.27 -0.68 1.98 0.35 -2.14 118.68 125.99 3hr4 s LEU 586 Ca 0.04 -2.13 -0.18 0.00 -2.89 0.00 0.00 54.13 48.96 3hr4 s LEU 586 Cb -0.13 -1.87 -0.02 0.00 0.66 0.00 0.00 46.19 44.82 3hr4 s LEU 586 CO -0.16 -0.55 0.53 -0.76 -1.89 0.00 0.00 176.35 173.52 3hr4 s LEU 587 N 1.00 4.08 -0.11 -0.68 1.43 0.65 -2.33 118.68 122.73 3hr4 s LEU 587 Ca 0.09 0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 3hr4 s LEU 587 Cb -0.23 -2.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 3hr4 s LEU 587 CO -0.03 -0.32 -0.13 -0.69 0.23 0.00 0.00 176.35 175.41 3hr4 s VAL 588 N 2.36 3.12 -0.16 -1.59 1.01 -0.41 0.19 120.40 124.92 3hr4 s VAL 588 Ca 0.22 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 3hr4 s VAL 588 Cb -0.16 -2.28 0.04 0.00 0.00 0.00 0.00 36.38 33.98 3hr4 s VAL 588 CO 0.10 0.55 -0.07 -0.69 0.00 0.00 0.00 175.10 174.98 3hr4 s VAL 589 N -0.01 1.18 0.03 2.92 1.01 0.22 -0.30 120.40 125.45 3hr4 s VAL 589 Ca -0.03 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 3hr4 s VAL 589 Cb -0.14 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 34.98 3hr4 s VAL 589 CO 0.04 0.21 0.34 0.28 0.00 0.00 0.00 175.10 175.97 3hr4 s THR 590 N 1.62 0.07 0.47 3.92 -1.32 -0.48 -2.93 115.64 116.99 3hr4 s THR 590 Ca 0.02 -0.58 0.08 0.00 -1.21 0.00 0.00 61.69 60.00 3hr4 s THR 590 Cb -0.15 -0.89 0.03 0.00 -1.51 0.00 0.00 72.50 69.99 3hr4 s THR 590 CO -0.08 -0.32 0.62 -0.94 -2.21 0.00 0.00 174.62 171.69 3hr4 s SER 591 N -1.92 5.40 -0.08 8.08 1.04 -1.08 -0.83 113.70 124.31 3hr4 s SER 591 Ca -0.06 -0.61 0.05 0.00 0.48 0.00 0.00 55.95 55.81 3hr4 s SER 591 Cb -0.02 -0.31 -0.00 0.00 0.10 0.00 0.00 66.02 65.79 3hr4 s SER 591 CO -0.02 -0.95 -0.24 -0.89 0.98 0.00 0.00 173.24 172.12 3hr4 s THR 592 N -2.47 2.07 0.23 2.02 2.01 -1.10 -4.62 115.64 113.78 3hr4 s THR 592 Ca 0.56 -1.04 0.10 0.00 0.31 0.00 0.00 61.69 61.63 3hr4 s THR 592 Cb -0.08 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.62 3hr4 s THR 592 CO 0.34 0.56 -0.19 0.12 -0.69 0.00 0.00 174.62 174.77 3hr4 s PHE 593 N 0.11 2.08 0.00 4.92 5.36 0.29 -4.91 117.98 125.83 3hr4 s PHE 593 Ca -0.12 -0.41 0.00 0.00 -0.96 0.00 0.00 56.93 55.44 3hr4 s PHE 593 Cb -0.16 -0.95 0.00 0.00 -0.34 0.00 0.00 43.02 41.57 3hr4 s PHE 593 CO 0.07 0.54 0.00 0.41 -1.46 0.00 0.00 175.22 174.78 3hr4 n GLY 594 N -0.31 1.31 2.55 13.12 0.00 -1.26 0.72 105.19 121.31 3hr4 n GLY 594 Ca -0.08 0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 3hr4 n GLY 594 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hr4 n ASN 595 N 10.24 2.70 0.00 1.61 4.13 -1.26 -4.77 115.26 127.91 3hr4 n ASN 595 Ca 0.00 -3.28 0.00 0.00 1.68 0.00 0.00 54.58 52.98 3hr4 n ASN 595 Cb 0.00 -0.56 0.00 0.00 -1.54 0.00 0.00 39.78 37.68 3hr4 n ASN 595 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hr4 n GLY 596 N -0.07 0.64 3.90 7.41 0.00 -1.16 -4.94 105.19 110.96 3hr4 n GLY 596 Ca 0.26 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.46 6.47 0.01 1.61 2.15 0.22 -3.46 116.67 121.22 3hr4 s ASP 597 Ca 0.00 0.77 -0.19 0.00 0.43 0.00 0.00 52.55 53.56 3hr4 s ASP 597 Cb 0.00 -2.17 -0.06 0.00 -0.30 0.00 0.00 42.92 40.40 3hr4 s ASP 597 CO 0.00 -0.20 0.54 0.00 -0.17 0.00 0.00 175.17 175.34 3hr4 n PRO 599 N 2.35 0.01 0.30 0.00 -0.02 -1.26 -4.46 135.00 131.91 3hr4 n PRO 599 Ca -0.09 0.07 0.16 0.00 -2.02 0.00 0.00 63.50 61.62 3hr4 n PRO 599 Cb 0.51 -2.21 0.84 0.00 -0.02 0.00 0.00 33.50 32.62 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 -1.10 0.00 2.00 -1.23 0.00 -1.97 0.81 103.07 101.58 3hr4 h GLY 600 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 3hr4 h GLY 600 CO 0.42 0.00 -0.09 3.43 0.00 0.00 0.00 176.54 180.30 3hr4 h ASN 601 N 0.00 0.00 0.00 0.19 4.21 -1.87 -3.20 115.58 114.91 3hr4 h ASN 601 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3hr4 h ASN 601 Cb 0.45 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 3hr4 h ASN 601 CO 0.00 0.09 0.00 0.61 -1.29 0.00 0.00 177.43 176.84 3hr4 n GLY 602 N -1.15 -0.61 0.37 2.83 0.00 0.19 -0.60 105.19 106.22 3hr4 n GLY 602 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.02 3hr4 n GLY 602 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hr4 h GLU 603 N 0.00 1.07 0.00 1.61 4.81 -1.31 1.23 114.58 121.99 3hr4 h GLU 603 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3hr4 h GLU 603 Cb 0.18 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3hr4 h GLU 603 CO 0.00 0.70 0.00 -0.22 -0.73 0.00 0.00 179.01 178.76 3hr4 h LYS 604 N 1.10 0.00 0.02 1.92 3.64 -1.86 -1.59 116.57 119.79 3hr4 h LYS 604 Ca 0.40 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.40 3hr4 h LYS 604 Cb 0.15 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 3hr4 h LYS 604 CO -0.14 0.00 -2.34 -0.11 -2.27 0.00 0.00 179.45 174.59 3hr4 n LEU 605 N -2.84 2.00 -0.11 5.20 7.94 0.35 -2.78 117.00 126.77 3hr4 n LEU 605 Ca -0.02 -0.02 -0.05 0.00 -1.11 0.00 0.00 56.01 54.81 3hr4 n LEU 605 Cb 0.12 -0.49 0.02 0.00 0.53 0.00 0.00 43.42 43.59 3hr4 n LEU 605 CO 0.19 0.77 0.88 0.50 -1.11 0.00 0.00 177.39 178.62 3hr4 h LYS 606 N 0.01 0.15 0.00 1.96 3.64 0.96 0.29 116.57 123.58 3hr4 h LYS 606 Ca -0.53 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 3hr4 h LYS 606 Cb 2.02 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.81 3hr4 h LYS 606 CO -0.02 0.10 0.00 1.17 -2.27 0.00 0.00 179.45 178.43 3hr4 n LYS 607 N -5.13 0.00 -0.43 1.90 4.81 -0.64 -2.45 118.16 116.22 3hr4 n LYS 607 Ca 0.02 0.49 0.37 0.00 -0.87 0.00 0.00 58.31 58.32 3hr4 n LYS 607 Cb 0.18 -1.33 0.64 0.00 0.02 0.00 0.00 35.03 34.54 3hr4 n LYS 607 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 3hr4 h SER 608 N 0.00 0.25 0.00 3.14 0.02 -1.31 -3.34 113.55 112.31 3hr4 h SER 608 Ca 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3hr4 h SER 608 Cb 0.00 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3hr4 h SER 608 CO 0.00 -0.27 0.00 0.18 -1.14 0.00 0.00 176.83 175.60 3hr4 n LEU 609 N -4.84 0.00 -0.17 5.07 4.77 0.10 -3.67 117.00 118.26 3hr4 n LEU 609 Ca 0.39 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.52 3hr4 n LEU 609 Cb 1.45 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 42.81 3hr4 n LEU 609 CO 0.15 0.00 0.49 0.49 -1.33 0.00 0.00 177.39 177.19 3hr4 n PHE 610 N 0.00 0.42 -0.21 -1.77 3.72 -1.25 -0.76 117.46 117.61 3hr4 n PHE 610 Ca 0.00 0.42 -0.12 0.00 -0.05 0.00 0.00 57.45 57.70 3hr4 n PHE 610 Cb 0.00 -0.83 -0.09 0.00 -0.94 0.00 0.00 39.48 37.62 3hr4 n PHE 610 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3hr4 h MET 611 N 0.00 -0.23 -5.46 -1.08 2.86 -1.69 -3.37 114.93 105.96 3hr4 h MET 611 Ca 0.38 0.02 -0.56 0.00 -2.06 0.00 0.00 59.70 57.47 3hr4 h MET 611 Cb 1.10 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.76 3hr4 h MET 611 CO -0.27 -0.16 1.61 1.28 1.06 0.00 0.00 176.91 180.43 3hr4 n LEU 612 N -5.07 1.15 -3.19 1.22 4.32 0.06 -4.70 117.00 110.79 3hr4 n LEU 612 Ca -0.02 0.13 -0.24 0.00 -0.02 0.00 0.00 56.01 55.87 3hr4 n LEU 612 Cb 0.28 -1.13 -0.02 0.00 -1.62 0.00 0.00 43.42 40.93 3hr4 n LEU 612 CO -0.04 -0.92 2.47 0.29 -1.22 0.00 0.00 177.39 177.97 3hr4 n LYS 613 N 8.42 2.26 -1.89 3.23 4.76 -1.26 -4.53 118.16 129.14 3hr4 n LYS 613 Ca 0.53 -1.54 -0.00 0.00 -2.87 0.00 0.00 58.31 54.44 3hr4 n LYS 613 Cb 0.17 -2.49 0.00 0.00 -1.84 0.00 0.00 35.03 30.88 3hr4 n LYS 613 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3hr4 n GLU 614 N 4.14 -1.13 -2.68 1.97 -0.58 -1.26 -5.09 120.64 116.00 3hr4 n GLU 614 Ca 0.48 1.24 -0.23 0.00 -0.42 0.00 0.00 57.16 58.23 3hr4 n GLU 614 Cb 0.14 -2.43 0.11 0.00 -0.57 0.00 0.00 31.44 28.69 3hr4 n GLU 614 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hr4 s LEU 615 N -0.55 2.94 -0.31 -4.62 1.02 -1.26 -5.09 118.68 110.81 3hr4 s LEU 615 Ca 0.00 -0.57 0.04 0.00 0.02 0.00 0.00 54.13 53.63 3hr4 s LEU 615 Cb -0.00 -1.68 0.19 0.00 0.02 0.00 0.00 46.19 44.73 3hr4 s LEU 615 CO 0.25 -1.91 0.66 0.20 0.02 0.00 0.00 176.35 175.57 3hr4 s ASN 616 N -4.80 -1.45 -0.00 2.29 0.01 -1.26 -4.71 114.94 105.02 3hr4 s ASN 616 Ca 0.67 -0.02 0.08 0.00 -0.71 0.00 0.00 52.86 52.89 3hr4 s ASN 616 Cb -0.04 1.90 -0.10 0.00 0.41 0.00 0.00 41.25 43.42 3hr4 s ASN 616 CO 0.44 -0.24 0.34 -3.20 -1.51 0.00 0.00 177.10 172.93 3hr4 n ASN 617 N 5.15 0.73 -3.95 -1.22 5.15 -1.26 -5.02 115.26 114.83 3hr4 n ASN 617 Ca 0.07 -0.61 -0.26 0.00 -0.60 0.00 0.00 54.58 53.18 3hr4 n ASN 617 Cb 0.55 1.05 -0.02 0.00 -0.53 0.00 0.00 39.78 40.83 3hr4 n ASN 617 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3hr4 n LYS 618 N -1.28 -3.13 0.00 1.20 5.02 -1.26 -5.00 118.16 113.72 3hr4 n LYS 618 Ca 0.01 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 3hr4 n LYS 618 Cb 0.14 -4.47 0.00 0.00 -0.02 0.00 0.00 35.03 30.69 3hr4 n LYS 618 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 3hr4 n PHE 619 N -4.40 -0.50 -4.41 2.13 1.16 -1.26 -4.76 117.46 105.42 3hr4 n PHE 619 Ca -0.30 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.01 3hr4 n PHE 619 Cb 0.68 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.44 3hr4 n PHE 619 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 3hr4 s ARG 620 N -0.37 1.56 0.33 3.97 0.52 -1.13 -2.57 118.95 121.26 3hr4 s ARG 620 Ca 0.00 -1.51 -0.12 0.00 -0.52 0.00 0.00 55.73 53.58 3hr4 s ARG 620 Cb 0.00 -1.87 0.02 0.00 0.52 0.00 0.00 34.95 33.62 3hr4 s ARG 620 CO 0.00 0.40 0.62 1.52 0.02 0.00 0.00 175.30 177.86 3hr4 s TYR 621 N -1.68 0.42 -0.26 -0.53 1.13 -1.25 0.13 117.35 115.31 3hr4 s TYR 621 Ca 0.21 -0.86 -0.26 0.00 -1.41 0.00 0.00 57.07 54.75 3hr4 s TYR 621 Cb -0.08 0.40 0.12 0.00 -1.10 0.00 0.00 41.96 41.30 3hr4 s TYR 621 CO 0.10 -1.27 1.04 0.00 -2.51 0.00 0.00 175.55 172.91 3hr4 s ALA 622 N -3.13 -1.97 0.13 9.51 0.00 -0.98 -1.08 121.76 124.23 3hr4 s ALA 622 Ca 0.21 1.83 0.10 0.00 0.00 0.00 0.00 51.96 54.10 3hr4 s ALA 622 Cb -0.03 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 3hr4 s ALA 622 CO 0.13 -0.24 -0.23 0.08 0.00 0.00 0.00 175.76 175.49 3hr4 s VAL 623 N 0.03 1.99 -0.04 0.00 1.01 -1.26 -1.29 120.40 120.85 3hr4 s VAL 623 Ca 0.03 -1.70 -0.02 0.00 0.00 0.00 0.00 61.98 60.28 3hr4 s VAL 623 Cb -0.04 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.56 3hr4 s VAL 623 CO -0.05 -0.03 0.06 0.12 0.00 0.00 0.00 175.10 175.20 3hr4 s PHE 624 N -1.24 0.05 0.01 5.22 5.36 0.59 -1.44 117.98 126.53 3hr4 s PHE 624 Ca 0.11 0.27 0.05 0.00 -0.96 0.00 0.00 56.93 56.40 3hr4 s PHE 624 Cb -0.09 -0.45 -0.03 0.00 -0.34 0.00 0.00 43.02 42.10 3hr4 s PHE 624 CO 0.06 -0.19 -0.13 0.20 -1.46 0.00 0.00 175.22 173.70 3hr4 s GLY 625 N 2.11 1.63 0.18 13.12 0.00 -0.26 -1.38 107.32 122.73 3hr4 s GLY 625 Ca 0.04 -1.08 0.06 0.00 0.00 0.00 0.00 44.72 43.74 3hr4 s GLY 625 CO -0.03 -0.94 0.09 1.08 0.00 0.00 0.00 173.10 173.29 3hr4 s LEU 626 N -1.28 3.59 0.00 0.66 1.02 -0.01 0.45 118.68 123.10 3hr4 s LEU 626 Ca 0.15 -0.27 0.00 0.00 0.02 0.00 0.00 54.13 54.03 3hr4 s LEU 626 Cb -0.11 -2.20 0.00 0.00 0.02 0.00 0.00 46.19 43.90 3hr4 s LEU 626 CO 0.05 0.06 0.00 0.61 0.02 0.00 0.00 176.35 177.09 3hr4 n GLY 627 N -0.40 1.66 3.85 -3.19 0.00 -0.99 -2.71 105.19 103.41 3hr4 n GLY 627 Ca -0.09 -0.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 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 0.00 6.67 0.00 1.61 0.15 -1.26 -0.82 113.70 120.05 3hr4 s SER 628 Ca 0.00 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.45 3hr4 s SER 628 Cb 0.00 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 3hr4 s SER 628 CO 0.00 0.35 0.55 -1.54 1.20 0.00 0.00 173.24 173.79 3hr4 n SER 629 N 1.82 1.29 -0.97 5.45 3.41 -1.26 -2.43 113.62 120.93 3hr4 n SER 629 Ca -0.16 -1.80 0.11 0.00 -0.26 0.00 0.00 58.87 56.76 3hr4 n SER 629 Cb 0.53 -0.45 0.14 0.00 -0.26 0.00 0.00 64.21 64.17 3hr4 n SER 629 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3hr4 n MET 630 N 0.16 2.22 -4.76 4.33 0.00 -1.26 -4.90 117.12 112.90 3hr4 n MET 630 Ca 0.00 -2.00 -0.26 0.00 -0.00 0.00 0.00 57.70 55.44 3hr4 n MET 630 Cb 0.27 -1.45 -0.16 0.00 0.00 0.00 0.00 33.22 31.88 3hr4 n MET 630 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3hr4 s TYR 631 N -1.63 1.70 0.24 1.12 2.02 -1.02 -5.04 117.35 114.74 3hr4 s TYR 631 Ca 0.31 -0.59 -0.05 0.00 -0.37 0.00 0.00 57.07 56.36 3hr4 s TYR 631 Cb 0.20 -1.19 0.44 0.00 -0.40 0.00 0.00 41.96 41.01 3hr4 s TYR 631 CO 0.28 -0.26 1.71 -1.35 -1.57 0.00 0.00 175.55 174.36 3hr4 h PRO 632 N 6.67 0.33 -3.23 -1.71 0.11 -1.90 -2.90 132.00 129.37 3hr4 h PRO 632 Ca -0.30 -0.02 -0.72 0.00 0.11 0.00 0.00 66.00 65.07 3hr4 h PRO 632 Cb 1.19 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 32.15 3hr4 h PRO 632 CO 0.48 0.22 2.80 0.54 -0.21 0.00 0.00 178.00 181.82 3hr4 n ARG 633 N -5.08 3.76 -1.89 1.05 3.00 -1.26 -4.95 116.66 111.28 3hr4 n ARG 633 Ca 0.13 -3.01 -0.42 0.00 -0.01 0.00 0.00 57.85 54.55 3hr4 n ARG 633 Cb 0.42 -2.89 -0.03 0.00 0.00 0.00 0.00 32.46 29.97 3hr4 n ARG 633 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 3hr4 s PHE 634 N 0.94 1.60 -1.52 -1.55 5.36 -1.10 -2.51 117.98 119.20 3hr4 s PHE 634 Ca 0.52 0.71 0.00 0.00 -0.96 0.00 0.00 56.93 57.20 3hr4 s PHE 634 Cb 0.15 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.79 3hr4 s PHE 634 CO -0.06 -3.05 0.00 0.00 -1.46 0.00 0.00 175.22 170.65 3hr4 h ALA 636 N 0.19 0.28 -0.75 0.00 0.00 -1.80 0.39 119.26 117.58 3hr4 h ALA 636 Ca -0.32 0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3hr4 h ALA 636 Cb 1.06 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 3hr4 h ALA 636 CO 0.44 -0.49 0.48 0.35 0.00 0.00 0.00 179.25 180.03 3hr4 h PHE 637 N -0.05 0.91 -0.39 0.00 3.57 -1.85 0.39 116.94 119.52 3hr4 h PHE 637 Ca 0.27 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 3hr4 h PHE 637 Cb 0.47 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3hr4 h PHE 637 CO -0.52 0.55 0.01 0.00 -2.23 0.00 0.00 178.31 176.12 3hr4 h ALA 638 N 1.30 1.30 -0.30 2.41 0.00 -1.39 -2.11 119.26 120.47 3hr4 h ALA 638 Ca 0.29 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3hr4 h ALA 638 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hr4 h ALA 638 CO -0.09 0.48 -0.28 0.45 0.00 0.00 0.00 179.25 179.81 3hr4 h HIS 639 N 0.58 0.69 0.50 0.00 3.86 0.18 -0.17 115.15 120.79 3hr4 h HIS 639 Ca 0.12 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 3hr4 h HIS 639 Cb 0.35 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3hr4 h HIS 639 CO 0.01 0.82 -0.24 -0.44 0.86 0.00 0.00 177.93 178.95 3hr4 h ASP 640 N 0.52 -0.57 -0.87 2.45 3.32 0.29 -1.01 116.42 120.56 3hr4 h ASP 640 Ca 0.07 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.09 3hr4 h ASP 640 Cb 0.76 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.41 3hr4 h ASP 640 CO 0.06 -0.30 0.58 -0.29 -1.72 0.00 0.00 179.24 177.57 3hr4 h ILE 641 N -0.82 1.21 -0.82 0.35 6.09 -1.39 -0.91 117.51 121.23 3hr4 h ILE 641 Ca -0.07 -0.40 0.02 0.00 -1.37 0.00 0.00 64.86 63.04 3hr4 h ILE 641 Cb 0.58 -0.06 -0.04 0.00 0.47 0.00 0.00 36.82 37.76 3hr4 h ILE 641 CO 0.11 0.21 0.54 -0.78 -3.07 0.00 0.00 178.15 175.16 3hr4 h ASP 642 N 1.16 0.91 0.53 2.19 3.58 -0.92 -2.87 116.42 121.00 3hr4 h ASP 642 Ca 0.33 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.73 3hr4 h ASP 642 Cb -0.11 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 40.73 3hr4 h ASP 642 CO -0.08 0.65 -0.25 1.56 -2.88 0.00 0.00 179.24 178.24 3hr4 h GLN 643 N 1.07 -0.68 -0.93 0.28 7.50 0.04 -2.66 115.11 119.74 3hr4 h GLN 643 Ca 0.31 0.05 0.22 0.00 0.50 0.00 0.00 58.65 59.72 3hr4 h GLN 643 Cb -0.07 0.16 -0.12 0.00 0.05 0.00 0.00 27.48 27.49 3hr4 h GLN 643 CO -0.08 -0.46 0.47 -0.22 -1.50 0.00 0.00 178.83 177.05 3hr4 h LYS 644 N -0.82 0.47 -0.33 1.46 1.63 -1.22 0.21 116.57 117.97 3hr4 h LYS 644 Ca -0.07 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.60 3hr4 h LYS 644 Cb 0.54 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 3hr4 h LYS 644 CO 0.12 0.31 -0.19 -0.07 -3.45 0.00 0.00 179.45 176.17 3hr4 h LEU 645 N 0.49 0.61 -0.68 5.20 3.38 -1.56 -2.36 115.31 120.39 3hr4 h LEU 645 Ca 0.58 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.37 3hr4 h LEU 645 Cb 1.07 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 3hr4 h LEU 645 CO -0.49 0.80 0.44 -1.28 0.09 0.00 0.00 178.44 178.01 3hr4 h SER 646 N 0.55 0.76 0.00 -0.43 0.87 -0.24 -3.07 113.55 111.99 3hr4 h SER 646 Ca 0.09 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3hr4 h SER 646 Cb 0.63 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3hr4 h SER 646 CO 0.04 0.54 0.00 1.41 -0.53 0.00 0.00 176.83 178.30 3hr4 n HIS 647 N -4.63 0.00 -0.29 2.24 8.25 -0.77 -3.91 115.22 116.11 3hr4 n HIS 647 Ca 0.06 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.27 3hr4 n HIS 647 Cb 0.04 -0.44 -0.06 0.00 1.12 0.00 0.00 29.99 30.65 3hr4 n HIS 647 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hr4 n LEU 648 N -1.99 0.66 0.00 2.41 4.77 -0.93 -4.66 117.00 117.26 3hr4 n LEU 648 Ca 0.00 -1.32 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 3hr4 n LEU 648 Cb 0.00 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 3hr4 n LEU 648 CO 0.00 -1.61 0.00 0.61 -1.33 0.00 0.00 177.39 175.06 3hr4 n GLY 649 N 4.53 0.09 1.29 -0.72 0.00 -1.25 -4.75 105.19 104.37 3hr4 n GLY 649 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 3hr4 n GLY 649 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hr4 n ALA 650 N 0.00 -1.32 -2.47 4.61 0.00 -1.20 -4.87 120.51 115.26 3hr4 n ALA 650 Ca 0.00 0.21 -0.43 0.00 0.00 0.00 0.00 53.44 53.22 3hr4 n ALA 650 Cb 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 3hr4 n ALA 650 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hr4 s SER 651 N 0.30 6.14 -0.24 0.00 1.04 -1.06 -4.56 113.70 115.31 3hr4 s SER 651 Ca 0.34 -0.78 -0.41 0.00 0.48 0.00 0.00 55.95 55.59 3hr4 s SER 651 Cb -0.48 -2.18 -0.17 0.00 0.10 0.00 0.00 66.02 63.29 3hr4 s SER 651 CO 0.23 -0.48 1.63 1.67 0.98 0.00 0.00 173.24 177.27 3hr4 n GLN 652 N 5.31 0.92 0.05 4.02 7.27 -1.26 -3.81 117.38 129.88 3hr4 n GLN 652 Ca -0.10 0.34 -0.09 0.00 0.07 0.00 0.00 57.00 57.21 3hr4 n GLN 652 Cb 0.47 -1.98 -0.13 0.00 2.41 0.00 0.00 30.24 31.02 3hr4 n GLN 652 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 3hr4 h LEU 653 N 6.25 0.10 -7.08 1.69 5.85 -1.50 -3.46 115.31 117.15 3hr4 h LEU 653 Ca -0.46 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.08 3hr4 h LEU 653 Cb 1.33 -0.03 -0.22 0.00 0.37 0.00 0.00 40.66 42.11 3hr4 h LEU 653 CO 0.92 1.09 0.02 0.28 -0.34 0.00 0.00 178.44 180.41 3hr4 s THR 654 N -2.68 -0.00 0.24 1.05 -1.32 -1.26 -4.97 115.64 106.69 3hr4 s THR 654 Ca -0.02 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.17 3hr4 s THR 654 Cb 0.09 -0.88 -0.15 0.00 -1.51 0.00 0.00 72.50 70.05 3hr4 s THR 654 CO 0.83 0.00 0.99 -2.65 -2.21 0.00 0.00 174.62 171.58 3hr4 n PRO 655 N 2.91 1.07 -1.49 7.08 -0.02 -1.26 -4.48 135.00 138.81 3hr4 n PRO 655 Ca -0.15 0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 61.30 3hr4 n PRO 655 Cb 0.56 -1.74 0.01 0.00 -0.02 0.00 0.00 33.50 32.31 3hr4 n PRO 655 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3hr4 n MET 656 N 1.09 0.71 -4.27 -0.52 1.56 -1.26 -4.82 117.12 109.61 3hr4 n MET 656 Ca 0.13 0.26 -0.25 0.00 -0.27 0.00 0.00 57.70 57.57 3hr4 n MET 656 Cb 0.28 -1.63 -0.08 0.00 2.15 0.00 0.00 33.22 33.95 3hr4 n MET 656 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 3hr4 s GLY 657 N -0.93 1.68 -0.09 -5.12 0.00 -0.52 -5.00 107.32 97.34 3hr4 s GLY 657 Ca 0.64 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.82 3hr4 s GLY 657 CO 0.57 -1.58 -0.08 -0.54 0.00 0.00 0.00 173.10 171.47 3hr4 s GLU 658 N -3.31 1.40 -1.06 2.90 2.02 -1.26 -1.10 118.70 118.30 3hr4 s GLU 658 Ca 0.29 -0.24 -0.07 0.00 0.02 0.00 0.00 54.97 54.97 3hr4 s GLU 658 Cb -0.08 -1.38 0.27 0.00 0.10 0.00 0.00 34.13 33.04 3hr4 s GLU 658 CO 0.18 -0.17 1.07 0.41 0.02 0.00 0.00 175.26 176.78 3hr4 n GLY 659 N 4.54 4.29 3.65 -1.39 0.00 0.17 -4.73 105.19 111.71 3hr4 n GLY 659 Ca -0.16 -2.60 -0.43 0.00 0.00 0.00 0.00 46.02 42.83 3hr4 n GLY 659 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hr4 s ASP 660 N 0.62 6.49 0.43 1.61 2.15 -1.25 -2.35 116.67 124.37 3hr4 s ASP 660 Ca 0.30 1.98 0.14 0.00 0.43 0.00 0.00 52.55 55.40 3hr4 s ASP 660 Cb -0.08 -2.53 1.02 0.00 -0.30 0.00 0.00 42.92 41.03 3hr4 s ASP 660 CO -0.07 -1.11 1.96 -0.33 -0.17 0.00 0.00 175.17 175.45 3hr4 h GLU 661 N 10.29 0.42 -0.63 4.34 5.08 -1.33 -2.48 114.58 130.27 3hr4 h GLU 661 Ca -0.37 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3hr4 h GLU 661 Cb 1.17 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3hr4 h GLU 661 CO 0.97 0.28 0.00 1.28 -1.00 0.00 0.00 179.01 180.54 3hr4 n LEU 662 N -4.47 3.72 -1.01 1.33 4.32 -1.26 -4.43 117.00 115.19 3hr4 n LEU 662 Ca 0.11 -1.88 -0.04 0.00 -0.02 0.00 0.00 56.01 54.18 3hr4 n LEU 662 Cb 0.40 -0.51 -0.04 0.00 -1.62 0.00 0.00 43.42 41.64 3hr4 n LEU 662 CO 0.34 0.60 0.28 -1.20 -1.22 0.00 0.00 177.39 176.19 3hr4 n SER 663 N 0.71 -0.44 0.00 -1.43 7.64 -0.96 -5.04 113.62 114.10 3hr4 n SER 663 Ca 0.19 -1.87 0.00 0.00 1.01 0.00 0.00 58.87 58.20 3hr4 n SER 663 Cb 0.72 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 3hr4 n SER 663 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hr4 n GLY 664 N 0.10 0.85 0.28 0.23 0.00 -1.19 -4.92 105.19 100.54 3hr4 n GLY 664 Ca -0.17 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 -0.64 -0.51 1.61 4.15 -1.75 -1.42 115.11 116.55 3hr4 h GLN 665 Ca 0.00 0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.56 3hr4 h GLN 665 Cb 0.00 0.14 -0.09 0.00 0.21 0.00 0.00 27.48 27.74 3hr4 h GLN 665 CO 0.00 -0.43 -0.10 0.93 -1.93 0.00 0.00 178.83 177.30 3hr4 h GLU 666 N -1.14 0.02 0.00 1.69 4.39 -1.93 -0.20 114.58 117.41 3hr4 h GLU 666 Ca -0.07 -0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 3hr4 h GLU 666 Cb 0.51 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 3hr4 h GLU 666 CO 0.11 0.01 -0.37 -0.44 -1.16 0.00 0.00 179.01 177.16 3hr4 h ASP 667 N 0.02 0.00 0.28 1.42 3.32 -1.97 -0.98 116.42 118.51 3hr4 h ASP 667 Ca 0.25 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.10 3hr4 h ASP 667 Cb 0.38 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3hr4 h ASP 667 CO -0.50 0.37 -0.81 0.00 -1.72 0.00 0.00 179.24 176.57 3hr4 h ALA 668 N 1.63 0.50 0.21 3.45 0.00 -0.18 -3.08 119.26 121.79 3hr4 h ALA 668 Ca -0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 3hr4 h ALA 668 Cb 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3hr4 h ALA 668 CO 0.05 0.78 -0.10 0.35 0.00 0.00 0.00 179.25 180.33 3hr4 h PHE 669 N 0.27 -0.27 -0.84 0.00 3.57 -0.74 -2.59 116.94 116.34 3hr4 h PHE 669 Ca -0.05 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.65 3hr4 h PHE 669 Cb 1.41 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 40.19 3hr4 h PHE 669 CO 0.05 0.08 0.57 0.00 -2.23 0.00 0.00 178.31 176.78 3hr4 h ARG 670 N -0.66 0.24 -0.03 1.11 3.08 -1.26 0.58 114.38 117.45 3hr4 h ARG 670 Ca -0.03 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3hr4 h ARG 670 Cb 0.47 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3hr4 h ARG 670 CO 0.05 0.16 -0.26 0.77 -1.07 0.00 0.00 179.97 179.62 3hr4 h SER 671 N 0.25 0.27 -0.33 7.04 0.02 -1.50 -2.55 113.55 116.74 3hr4 h SER 671 Ca 0.42 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3hr4 h SER 671 Cb 1.26 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 3hr4 h SER 671 CO -0.10 0.94 0.21 -0.25 -1.14 0.00 0.00 176.83 176.49 3hr4 h TRP 672 N -0.37 0.43 -0.26 3.45 7.01 -0.74 -2.41 115.95 123.06 3hr4 h TRP 672 Ca -0.02 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.03 3hr4 h TRP 672 Cb 0.95 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.83 3hr4 h TRP 672 CO 0.15 0.29 -0.02 0.00 -2.79 0.00 0.00 178.44 176.08 3hr4 h ALA 673 N 1.10 0.21 0.13 2.65 0.00 0.03 -0.84 119.26 122.54 3hr4 h ALA 673 Ca 0.12 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3hr4 h ALA 673 Cb -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3hr4 h ALA 673 CO -0.02 -0.44 -0.22 0.28 0.00 0.00 0.00 179.25 178.85 3hr4 h VAL 674 N 0.05 0.51 0.00 0.00 2.07 -1.14 0.41 116.25 118.16 3hr4 h VAL 674 Ca 0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 3hr4 h VAL 674 Cb 0.17 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3hr4 h VAL 674 CO -0.22 0.00 -0.06 0.06 0.02 0.00 0.00 177.57 177.37 3hr4 h GLN 675 N -0.42 0.00 -0.11 1.57 3.07 -1.32 -1.22 115.11 116.68 3hr4 h GLN 675 Ca 0.02 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.55 3hr4 h GLN 675 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.00 3hr4 h GLN 675 CO -0.11 0.06 -0.80 1.15 0.09 0.00 0.00 178.83 179.22 3hr4 h THR 676 N 0.00 1.31 -0.14 1.86 2.02 -0.63 -1.86 112.91 115.47 3hr4 h THR 676 Ca -0.00 -2.07 -0.03 0.00 0.77 0.00 0.00 66.41 65.07 3hr4 h THR 676 Cb 0.56 2.08 -0.00 0.00 -1.74 0.00 0.00 68.15 69.04 3hr4 h THR 676 CO 0.01 0.64 -0.04 0.15 0.37 0.00 0.00 175.52 176.65 3hr4 h PHE 677 N 0.43 0.31 0.00 3.16 3.57 -0.27 -1.96 116.94 122.18 3hr4 h PHE 677 Ca -0.05 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.33 3hr4 h PHE 677 Cb 1.41 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 3hr4 h PHE 677 CO 0.07 0.58 -0.21 0.87 -2.23 0.00 0.00 178.31 177.39 3hr4 h LYS 678 N -0.04 0.00 -0.00 1.11 1.57 -1.29 -0.54 116.57 117.37 3hr4 h LYS 678 Ca 0.03 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.60 3hr4 h LYS 678 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3hr4 h LYS 678 CO 0.02 0.21 -0.91 0.00 -0.57 0.00 0.00 179.45 178.20 3hr4 h ALA 679 N 1.79 0.42 -0.08 3.86 0.00 -1.23 -3.07 119.26 120.95 3hr4 h ALA 679 Ca -0.00 -0.71 -0.17 0.00 0.00 0.00 0.00 54.91 54.03 3hr4 h ALA 679 Cb 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hr4 h ALA 679 CO 0.03 0.84 -0.68 0.00 0.00 0.00 0.00 179.25 179.44 3hr4 h ALA 680 N 0.82 0.69 0.00 0.00 0.00 -0.51 -1.33 119.26 118.93 3hr4 h ALA 680 Ca -0.07 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 3hr4 h ALA 680 Cb 1.54 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 3hr4 h ALA 680 CO 0.15 0.76 -0.06 0.00 0.00 0.00 0.00 179.25 180.11 3hr4 n GLU 682 N -3.25 0.26 0.00 0.00 4.07 -1.11 -0.92 120.64 119.69 3hr4 n GLU 682 Ca -0.01 0.40 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 3hr4 n GLU 682 Cb 0.26 -1.28 0.00 0.00 -0.06 0.00 0.00 31.44 30.36 3hr4 n GLU 682 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3hr4 n THR 683 N -3.61 0.00 -0.12 6.31 -2.24 -0.52 0.70 114.28 114.81 3hr4 n THR 683 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3hr4 n THR 683 Cb 0.16 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 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 0.08 0.00 -3.00 4.78 3.01 -1.06 -5.02 117.46 116.25 3hr4 n PHE 684 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 3hr4 n PHE 684 Cb 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.48 3hr4 n PHE 684 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3hr4 n ASP 685 N 0.00 -7.73 -4.58 4.37 2.03 0.22 -4.93 116.55 105.92 3hr4 n ASP 685 Ca 0.00 0.18 -0.40 0.00 0.52 0.00 0.00 54.79 55.08 3hr4 n ASP 685 Cb 0.02 -5.14 -0.08 0.00 -0.72 0.00 0.00 41.12 35.19 3hr4 n ASP 685 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3hr4 s VAL 686 N -2.78 5.10 -0.24 5.18 1.01 -0.09 -5.00 120.40 123.58 3hr4 s VAL 686 Ca 0.12 0.50 -0.34 0.00 0.00 0.00 0.00 61.98 62.26 3hr4 s VAL 686 Cb -0.03 -3.83 -0.11 0.00 0.00 0.00 0.00 36.38 32.41 3hr4 s VAL 686 CO 0.77 -0.01 2.05 -2.11 0.00 0.00 0.00 175.10 175.79 3hr4 n ARG 687 N 5.52 1.57 -0.01 2.72 1.85 -1.26 -1.17 116.66 125.88 3hr4 n ARG 687 Ca -0.06 0.51 0.00 0.00 -1.00 0.00 0.00 57.85 57.29 3hr4 n ARG 687 Cb 0.50 -2.59 0.00 0.00 -1.05 0.00 0.00 32.46 29.31 3hr4 n ARG 687 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hr4 n GLY 688 N 5.48 0.99 0.00 2.89 0.00 -1.26 -4.99 105.19 108.30 3hr4 n GLY 688 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3hr4 n GLY 688 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hr4 n LYS 689 N -2.01 0.00 -0.02 1.61 5.02 -0.32 -0.77 118.16 121.68 3hr4 n LYS 689 Ca 0.00 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.47 3hr4 n LYS 689 Cb 0.00 -0.05 0.27 0.00 -0.02 0.00 0.00 35.03 35.23 3hr4 n LYS 689 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hr4 n GLN 690 N -0.05 0.02 -0.00 1.97 0.00 -1.26 -0.41 117.38 117.65 3hr4 n GLN 690 Ca 0.00 0.97 0.06 0.00 0.00 0.00 0.00 57.00 58.04 3hr4 n GLN 690 Cb 0.00 -2.50 -0.13 0.00 0.00 0.00 0.00 30.24 27.61 3hr4 n GLN 690 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3hr4 n HIS 691 N -2.93 0.28 -1.34 2.61 8.25 0.05 -4.98 115.22 117.17 3hr4 n HIS 691 Ca 0.15 0.09 -0.42 0.00 -0.26 0.00 0.00 57.72 57.27 3hr4 n HIS 691 Cb 1.32 -0.74 -0.00 0.00 1.12 0.00 0.00 29.99 31.69 3hr4 n HIS 691 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3hr4 n ILE 692 N -2.49 0.99 -4.67 1.59 2.08 0.45 -4.94 119.36 112.38 3hr4 n ILE 692 Ca -0.09 -0.50 -0.32 0.00 0.56 0.00 0.00 62.75 62.40 3hr4 n ILE 692 Cb 0.70 -0.10 -0.17 0.00 -0.75 0.00 0.00 39.64 39.32 3hr4 n ILE 692 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 3hr4 s GLN 693 N -1.12 2.84 0.27 0.38 -0.21 -1.26 -5.08 119.66 115.49 3hr4 s GLN 693 Ca 0.61 -0.79 -0.08 0.00 0.02 0.00 0.00 55.36 55.11 3hr4 s GLN 693 Cb -0.66 -2.30 -0.06 0.00 1.00 0.00 0.00 33.01 30.99 3hr4 s GLN 693 CO 0.61 -0.01 0.57 0.96 -2.12 0.00 0.00 175.29 175.31 3hr4 s ILE 694 N 0.81 4.95 0.95 1.08 -4.36 -1.26 -4.99 121.20 118.38 3hr4 s ILE 694 Ca -0.08 0.34 -0.11 0.00 -0.26 0.00 0.00 60.65 60.53 3hr4 s ILE 694 Cb -0.16 -3.67 0.12 0.00 1.25 0.00 0.00 42.46 40.01 3hr4 s ILE 694 CO -0.01 -0.21 0.87 -0.81 0.24 0.00 0.00 174.94 175.02 3hr4 n PRO 695 N -0.54 -0.58 -0.33 0.37 -0.04 -1.26 -4.80 135.00 127.82 3hr4 n PRO 695 Ca -0.00 -0.12 0.03 0.00 -0.04 0.00 0.00 63.50 63.38 3hr4 n PRO 695 Cb 0.53 -2.18 0.21 0.00 -0.04 0.00 0.00 33.50 32.03 3hr4 n PRO 695 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3hr4 h LYS 696 N -1.86 1.06 -0.51 0.54 1.57 -1.98 -2.51 116.57 112.89 3hr4 h LYS 696 Ca -0.45 -0.06 0.15 0.00 -1.87 0.00 0.00 60.65 58.42 3hr4 h LYS 696 Cb 1.28 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 3hr4 h LYS 696 CO 0.39 0.70 0.90 1.25 -0.57 0.00 0.00 179.45 182.12 3hr4 h LEU 697 N 1.09 0.00 0.00 2.94 6.46 -2.06 0.00 115.31 123.75 3hr4 h LEU 697 Ca 0.41 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 58.10 3hr4 h LEU 697 Cb 0.19 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 3hr4 h LEU 697 CO -0.16 0.00 -1.52 -1.22 -0.62 0.00 0.00 178.44 174.92 3hr4 n TYR 698 N -3.09 0.00 0.93 1.25 4.02 -0.95 -5.08 117.16 114.24 3hr4 n TYR 698 Ca 0.11 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.11 3hr4 n TYR 698 Cb 1.06 -0.32 0.09 0.00 -0.02 0.00 0.00 39.34 40.16 3hr4 n TYR 698 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26