#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xdy s ILE 515 N 0.00 3.99 -0.20 3.15 1.01 -0.15 -4.89 121.20 124.11 2xdy s ILE 515 Ca 0.00 1.13 0.04 0.00 0.00 0.00 0.00 60.65 61.82 2xdy s ILE 515 Cb 0.00 -3.96 -0.15 0.00 0.01 0.00 0.00 42.46 38.36 2xdy s ILE 515 CO 0.00 -0.36 -0.14 1.21 0.00 0.00 0.00 174.94 175.65 2xdy n GLU 516 N 7.33 0.67 -3.91 2.79 4.07 -1.26 -0.34 120.64 129.99 2xdy n GLU 516 Ca 0.16 0.10 -0.35 0.00 -0.06 0.00 0.00 57.16 57.01 2xdy n GLU 516 Cb 0.46 -1.41 -0.14 0.00 -0.06 0.00 0.00 31.44 30.29 2xdy n GLU 516 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2xdy s LYS 517 N -2.41 2.31 0.11 5.31 1.02 -1.26 -4.68 119.74 120.13 2xdy s LYS 517 Ca -0.24 -1.38 -0.07 0.00 0.02 0.00 0.00 55.97 54.30 2xdy s LYS 517 Cb 0.07 -3.21 -0.01 0.00 -0.52 0.00 0.00 37.83 34.16 2xdy s LYS 517 CO 0.51 -0.69 0.19 1.67 -0.92 0.00 0.00 175.35 176.11 2xdy s TRP 518 N 1.21 0.33 0.00 3.18 1.48 -1.26 -0.18 118.94 123.69 2xdy s TRP 518 Ca -0.03 -0.74 0.00 0.00 -1.06 0.00 0.00 56.10 54.27 2xdy s TRP 518 Cb -0.20 -0.12 0.00 0.00 -1.16 0.00 0.00 33.47 31.98 2xdy s TRP 518 CO -0.02 -0.59 0.00 -2.37 -4.06 0.00 0.00 176.95 169.91 2xdy n THR 519 N -0.10 0.00 -4.15 0.66 5.66 -0.85 -2.01 114.28 113.49 2xdy n THR 519 Ca -0.12 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.76 2xdy n THR 519 Cb 0.63 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.30 2xdy n THR 519 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2xdy s TYR 520 N -7.10 0.92 -0.10 1.09 -0.85 -1.26 -1.43 117.35 108.61 2xdy s TYR 520 Ca 0.00 -0.71 0.02 0.00 -0.52 0.00 0.00 57.07 55.86 2xdy s TYR 520 Cb 0.00 -0.52 0.01 0.00 0.38 0.00 0.00 41.96 41.83 2xdy s TYR 520 CO 0.00 -0.07 -0.17 -1.17 -1.52 0.00 0.00 175.55 172.62 2xdy s LEU 521 N -2.47 1.81 -0.28 -3.49 2.96 -0.03 -1.64 118.68 115.54 2xdy s LEU 521 Ca 0.04 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 2xdy s LEU 521 Cb -0.02 -1.13 0.04 0.00 0.50 0.00 0.00 46.19 45.58 2xdy s LEU 521 CO -0.02 0.05 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.34 2xdy s GLU 522 N 0.81 2.62 -0.40 1.98 2.12 0.88 -0.87 118.70 125.84 2xdy s GLU 522 Ca -0.10 -1.13 -0.20 0.00 0.36 0.00 0.00 54.97 53.90 2xdy s GLU 522 Cb -0.16 -3.12 0.01 0.00 0.26 0.00 0.00 34.13 31.13 2xdy s GLU 522 CO 0.01 -0.53 0.61 -0.51 -0.54 0.00 0.00 175.26 174.31 2xdy s LEU 523 N 1.30 4.43 0.38 2.70 1.43 -0.41 -1.30 118.68 127.20 2xdy s LEU 523 Ca -0.03 -0.18 -0.27 0.00 -1.03 0.00 0.00 54.13 52.62 2xdy s LEU 523 Cb -0.18 -2.71 -0.10 0.00 0.03 0.00 0.00 46.19 43.23 2xdy s LEU 523 CO -0.02 -0.68 1.36 -0.54 0.23 0.00 0.00 176.35 176.70 2xdy s LYS 524 N 2.70 4.10 0.00 1.70 1.02 0.16 -3.52 119.74 125.89 2xdy s LYS 524 Ca 0.22 2.30 0.00 0.00 0.02 0.00 0.00 55.97 58.51 2xdy s LYS 524 Cb -0.15 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.27 2xdy s LYS 524 CO 0.17 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.57 2xdy n GLY 525 N 0.65 3.99 0.18 -3.33 0.00 -1.26 -4.51 105.19 100.90 2xdy n GLY 525 Ca 0.02 -2.17 -0.06 0.00 0.00 0.00 0.00 46.02 43.81 2xdy n GLY 525 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2xdy h SER 526 N 0.00 0.35 -3.29 1.61 4.64 -1.97 -3.41 113.55 111.48 2xdy h SER 526 Ca 0.00 0.01 -0.56 0.00 -0.47 0.00 0.00 61.79 60.77 2xdy h SER 526 Cb 0.00 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 2xdy h SER 526 CO 0.00 0.25 -0.04 -1.59 -0.87 0.00 0.00 176.83 174.58 2xdy s LYS 527 N -6.15 4.15 0.29 4.77 -2.85 -1.26 -5.07 119.74 113.62 2xdy s LYS 527 Ca -0.13 0.69 -0.28 0.00 -1.00 0.00 0.00 55.97 55.25 2xdy s LYS 527 Cb 0.12 -3.13 -0.09 0.00 -2.06 0.00 0.00 37.83 32.66 2xdy s LYS 527 CO 0.72 0.58 0.97 0.00 0.10 0.00 0.00 175.35 177.72 2xdy s ALA 528 N -1.23 3.27 0.02 0.59 0.00 -1.26 -5.03 121.76 118.11 2xdy s ALA 528 Ca 0.32 0.62 -0.25 0.00 0.00 0.00 0.00 51.96 52.66 2xdy s ALA 528 Cb -0.18 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 2xdy s ALA 528 CO 0.19 0.11 0.75 -0.80 0.00 0.00 0.00 175.76 176.01 2xdy s ASN 529 N -1.35 7.16 -0.04 0.00 0.01 -1.26 -5.07 114.94 114.40 2xdy s ASN 529 Ca 0.47 1.39 0.02 0.00 -0.71 0.00 0.00 52.86 54.03 2xdy s ASN 529 Cb -0.23 -2.45 -0.03 0.00 0.41 0.00 0.00 41.25 38.94 2xdy s ASN 529 CO 0.29 -0.01 -0.09 -1.61 -1.51 0.00 0.00 177.10 174.18 2xdy s GLU 530 N 0.11 2.60 0.00 -0.60 0.41 -1.26 -4.69 118.70 115.27 2xdy s GLU 530 Ca 0.38 -0.65 0.00 0.00 -0.41 0.00 0.00 54.97 54.29 2xdy s GLU 530 Cb -0.20 -2.50 0.00 0.00 -1.78 0.00 0.00 34.13 29.66 2xdy s GLU 530 CO 0.22 0.63 0.00 0.41 -0.49 0.00 0.00 175.26 176.03 2xdy n GLY 531 N 2.01 0.46 0.32 -1.39 0.00 -1.26 -4.99 105.19 100.33 2xdy n GLY 531 Ca -0.17 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 2xdy n GLY 531 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2xdy h VAL 532 N 0.00 0.31 -0.70 1.61 2.07 -1.99 -0.39 116.25 117.16 2xdy h VAL 532 Ca 0.00 -0.35 0.14 0.00 0.82 0.00 0.00 66.70 67.31 2xdy h VAL 532 Cb 0.17 0.42 -0.10 0.00 -1.52 0.00 0.00 31.29 30.26 2xdy h VAL 532 CO 0.00 0.04 0.18 -0.65 0.02 0.00 0.00 177.57 177.16 2xdy h PRO 533 N -1.01 0.28 -0.66 1.57 0.11 -1.98 0.19 132.00 130.50 2xdy h PRO 533 Ca -0.08 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 2xdy h PRO 533 Cb 0.64 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.66 2xdy h PRO 533 CO 0.13 0.19 0.29 1.96 -0.21 0.00 0.00 178.00 180.35 2xdy h GLN 534 N 0.29 0.98 -0.51 1.05 7.50 -1.95 -2.06 115.11 120.41 2xdy h GLN 534 Ca 0.39 -0.16 -0.10 0.00 0.50 0.00 0.00 58.65 59.28 2xdy h GLN 534 Cb 0.63 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.98 2xdy h GLN 534 CO -0.47 0.80 -0.08 0.00 -1.50 0.00 0.00 178.83 177.58 2xdy h ALA 535 N 1.13 0.90 -0.66 3.87 0.00 -0.29 -1.97 119.26 122.23 2xdy h ALA 535 Ca 0.22 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2xdy h ALA 535 Cb 0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2xdy h ALA 535 CO -0.02 0.64 0.37 0.52 0.00 0.00 0.00 179.25 180.76 2xdy h MET 536 N 0.83 0.67 -0.28 0.00 2.86 -0.62 0.55 114.93 118.95 2xdy h MET 536 Ca 0.14 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2xdy h MET 536 Cb 0.61 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2xdy h MET 536 CO 0.04 0.45 0.18 1.15 1.06 0.00 0.00 176.91 179.78 2xdy h THR 537 N 0.69 1.09 -0.98 2.22 2.02 -1.22 -0.42 112.91 116.31 2xdy h THR 537 Ca 0.29 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.32 2xdy h THR 537 Cb 0.16 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 2xdy h THR 537 CO -0.17 0.09 0.64 0.00 0.37 0.00 0.00 175.52 176.44 2xdy h ALA 538 N 1.08 1.38 -0.39 6.16 0.00 -0.67 -1.72 119.26 125.09 2xdy h ALA 538 Ca 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2xdy h ALA 538 Cb -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2xdy h ALA 538 CO -0.02 0.52 0.12 0.35 0.00 0.00 0.00 179.25 180.22 2xdy h PHE 539 N 1.22 0.63 -0.66 0.00 3.57 0.55 -0.64 116.94 121.62 2xdy h PHE 539 Ca 0.39 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 2xdy h PHE 539 Cb 0.03 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 2xdy h PHE 539 CO -0.00 0.59 0.36 0.00 -2.23 0.00 0.00 178.31 177.03 2xdy h ALA 540 N 0.97 0.85 -0.36 2.41 0.00 -0.81 0.04 119.26 122.36 2xdy h ALA 540 Ca 0.13 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2xdy h ALA 540 Cb 0.26 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2xdy h ALA 540 CO -0.00 0.36 0.19 0.93 0.00 0.00 0.00 179.25 180.73 2xdy h GLU 541 N 0.90 0.38 -0.41 0.00 4.39 -1.19 -1.73 114.58 116.93 2xdy h GLU 541 Ca 0.23 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.97 2xdy h GLU 541 Cb 0.04 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 2xdy h GLU 541 CO -0.04 0.25 0.11 0.35 -1.16 0.00 0.00 179.01 178.52 2xdy h PHE 542 N 0.39 0.19 -0.56 4.33 3.04 -0.57 -1.39 116.94 122.36 2xdy h PHE 542 Ca 0.15 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.15 2xdy h PHE 542 Cb 0.04 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.49 2xdy h PHE 542 CO -0.09 0.05 0.33 -0.07 -2.02 0.00 0.00 178.31 176.51 2xdy h LEU 543 N 0.25 0.53 -0.68 0.59 3.38 -0.70 -1.80 115.31 116.88 2xdy h LEU 543 Ca 0.19 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2xdy h LEU 543 Cb 0.21 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2xdy h LEU 543 CO -0.23 0.37 0.45 0.78 0.09 0.00 0.00 178.44 179.90 2xdy h ASN 544 N 0.66 0.77 -0.02 -0.43 2.35 -0.91 -0.47 115.58 117.53 2xdy h ASN 544 Ca 0.23 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 2xdy h ASN 544 Cb 0.04 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2xdy h ASN 544 CO -0.11 0.56 -0.11 0.03 -1.65 0.00 0.00 177.43 176.14 2xdy h ARG 545 N 0.91 0.28 -0.41 0.81 3.08 -0.83 -2.89 114.38 115.34 2xdy h ARG 545 Ca 0.25 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2xdy h ARG 545 Cb -0.09 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2xdy h ARG 545 CO -0.06 0.41 0.00 0.25 -1.07 0.00 0.00 179.97 179.50 2xdy n THR 546 N -4.27 0.54 -0.02 2.04 -2.24 -0.72 -4.91 114.28 104.69 2xdy n THR 546 Ca -0.00 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2xdy n THR 546 Cb 0.27 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 2xdy n THR 546 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xdy n GLY 547 N 1.25 0.99 3.14 3.38 0.00 -0.95 -5.06 105.19 107.94 2xdy n GLY 547 Ca 0.16 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2xdy n GLY 547 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xdy s ILE 548 N -2.00 3.33 0.05 -0.61 1.01 -0.23 -5.02 121.20 117.73 2xdy s ILE 548 Ca 0.00 -1.91 -0.31 0.00 0.00 0.00 0.00 60.65 58.43 2xdy s ILE 548 Cb 0.00 -3.21 -0.08 0.00 0.01 0.00 0.00 42.46 39.18 2xdy s ILE 548 CO 0.00 -0.60 1.58 -2.84 0.00 0.00 0.00 174.94 173.08 2xdy s PRO 549 N 1.18 4.22 -0.14 2.79 0.02 -1.26 -3.20 135.00 138.61 2xdy s PRO 549 Ca 0.06 2.23 -0.10 0.00 0.02 0.00 0.00 61.00 63.21 2xdy s PRO 549 Cb -0.22 -3.58 0.04 0.00 0.02 0.00 0.00 34.50 30.76 2xdy s PRO 549 CO -0.03 -0.69 0.35 -1.50 -0.33 0.00 0.00 177.00 174.80 2xdy s ILE 550 N 2.54 -0.01 -0.07 2.83 2.07 -1.26 -0.98 121.20 126.32 2xdy s ILE 550 Ca 0.71 0.04 -0.37 0.00 -1.41 0.00 0.00 60.65 59.62 2xdy s ILE 550 Cb -0.38 -0.50 -0.15 0.00 0.13 0.00 0.00 42.46 41.56 2xdy s ILE 550 CO 0.31 0.02 1.62 -3.20 -1.91 0.00 0.00 174.94 171.78 2xdy n ASN 551 N 3.42 2.47 0.00 4.50 2.85 0.53 -4.81 115.26 124.23 2xdy n ASN 551 Ca -0.17 1.07 0.05 0.00 -0.11 0.00 0.00 54.58 55.42 2xdy n ASN 551 Cb 0.56 -1.24 0.24 0.00 1.24 0.00 0.00 39.78 40.58 2xdy n ASN 551 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2xdy n PRO 552 N 4.47 0.05 -4.75 1.20 -0.04 -1.26 -4.63 135.00 130.05 2xdy n PRO 552 Ca 0.22 0.27 -0.33 0.00 -0.04 0.00 0.00 63.50 63.62 2xdy n PRO 552 Cb 0.20 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.03 2xdy n PRO 552 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2xdy s ARG 553 N -2.85 2.89 0.22 0.54 0.52 -1.26 -4.80 118.95 114.20 2xdy s ARG 553 Ca 0.07 -0.64 0.07 0.00 -0.52 0.00 0.00 55.73 54.71 2xdy s ARG 553 Cb 0.07 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.96 2xdy s ARG 553 CO 0.18 0.50 0.10 -0.59 0.02 0.00 0.00 175.30 175.51 2xdy s PHE 554 N -0.38 2.98 0.56 -0.53 -0.12 -1.26 -4.73 117.98 114.49 2xdy s PHE 554 Ca 0.05 -0.11 -0.15 0.00 -0.05 0.00 0.00 56.93 56.67 2xdy s PHE 554 Cb -0.12 -1.38 -0.06 0.00 -0.63 0.00 0.00 43.02 40.82 2xdy s PHE 554 CO 0.02 0.54 1.00 -1.54 -0.05 0.00 0.00 175.22 175.20 2xdy s SER 555 N -3.43 6.43 0.14 1.98 1.04 -0.85 -4.96 113.70 114.04 2xdy s SER 555 Ca 0.31 1.53 -0.34 0.00 0.48 0.00 0.00 55.95 57.93 2xdy s SER 555 Cb -0.08 -2.50 -0.16 0.00 0.10 0.00 0.00 66.02 63.38 2xdy s SER 555 CO 0.22 -0.72 1.26 -2.65 0.98 0.00 0.00 173.24 172.32 2xdy n PRO 556 N -2.02 1.23 -2.03 4.02 -0.02 -1.26 -4.58 135.00 130.34 2xdy n PRO 556 Ca 0.06 0.44 -0.28 0.00 -2.02 0.00 0.00 63.50 61.71 2xdy n PRO 556 Cb 0.54 -2.01 0.08 0.00 -0.02 0.00 0.00 33.50 32.09 2xdy n PRO 556 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2xdy s GLY 557 N 0.23 1.64 -0.04 -1.23 0.00 -1.26 -4.81 107.32 101.85 2xdy s GLY 557 Ca 0.78 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 44.75 2xdy s GLY 557 CO 0.49 -0.32 -0.13 -0.29 0.00 0.00 0.00 173.10 172.85 2xdy s MET 558 N -5.45 2.49 -0.05 2.90 1.75 -0.65 -4.99 119.30 115.30 2xdy s MET 558 Ca 0.62 -0.71 0.04 0.00 -1.25 0.00 0.00 55.69 54.38 2xdy s MET 558 Cb -0.11 -2.39 0.00 0.00 2.84 0.00 0.00 34.83 35.18 2xdy s MET 558 CO 0.47 0.62 -0.15 -1.12 -0.65 0.00 0.00 175.02 174.19 2xdy s SER 559 N -0.87 2.00 -0.02 1.11 0.01 -1.26 -0.08 113.70 114.58 2xdy s SER 559 Ca 0.12 -0.33 -0.22 0.00 1.31 0.00 0.00 55.95 56.83 2xdy s SER 559 Cb -0.11 -0.67 0.04 0.00 0.21 0.00 0.00 66.02 65.50 2xdy s SER 559 CO 0.02 0.11 0.47 0.00 0.41 0.00 0.00 173.24 174.25 2xdy s MET 560 N 0.24 0.86 0.88 12.44 0.23 -0.42 -4.97 119.30 128.56 2xdy s MET 560 Ca -0.07 -0.04 -0.11 0.00 -1.03 0.00 0.00 55.69 54.43 2xdy s MET 560 Cb -0.13 0.40 0.12 0.00 -1.53 0.00 0.00 34.83 33.69 2xdy s MET 560 CO 0.03 -0.26 1.09 -1.12 -2.03 0.00 0.00 175.02 172.73 2xdy s SER 561 N -1.38 3.64 -0.24 -1.18 0.01 -1.26 -0.67 113.70 112.62 2xdy s SER 561 Ca -0.11 1.47 -0.29 0.00 1.31 0.00 0.00 55.95 58.33 2xdy s SER 561 Cb -0.03 -2.16 -0.00 0.00 0.21 0.00 0.00 66.02 64.04 2xdy s SER 561 CO 0.05 -2.53 1.25 -0.69 0.41 0.00 0.00 173.24 171.74 2xdy s VAL 562 N -2.96 4.26 0.97 3.43 1.01 -1.26 -4.79 120.40 121.06 2xdy s VAL 562 Ca 0.63 1.48 -0.12 0.00 0.00 0.00 0.00 61.98 63.97 2xdy s VAL 562 Cb -0.17 -4.11 0.17 0.00 0.00 0.00 0.00 36.38 32.27 2xdy s VAL 562 CO 0.57 -0.30 1.08 -2.84 0.00 0.00 0.00 175.10 173.61 2xdy s PRO 563 N 3.78 0.63 0.15 2.72 0.02 -1.26 -4.98 135.00 136.07 2xdy s PRO 563 Ca 0.54 0.85 0.09 0.00 0.02 0.00 0.00 61.00 62.50 2xdy s PRO 563 Cb -0.18 -1.73 -0.15 0.00 0.02 0.00 0.00 34.50 32.45 2xdy s PRO 563 CO 0.18 -2.68 1.32 0.78 -0.33 0.00 0.00 177.00 176.26 2xdy h GLY 564 N -1.87 0.00 -3.19 0.52 0.00 -1.96 -3.47 103.07 93.10 2xdy h GLY 564 Ca -0.52 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.49 2xdy h GLY 564 CO 0.53 0.00 -0.72 -1.35 0.00 0.00 0.00 176.54 175.00 2xdy s SER 565 N -6.66 1.59 0.23 0.19 1.04 -1.26 -5.04 113.70 103.80 2xdy s SER 565 Ca 0.02 -0.93 -0.07 0.00 0.48 0.00 0.00 55.95 55.45 2xdy s SER 565 Cb 0.09 0.01 0.22 0.00 0.10 0.00 0.00 66.02 66.44 2xdy s SER 565 CO 0.80 -0.31 1.87 -0.08 0.98 0.00 0.00 173.24 176.50 2xdy h GLU 566 N 3.12 1.27 -0.75 4.02 4.57 -1.96 -1.22 114.58 123.63 2xdy h GLU 566 Ca -0.37 -0.13 0.02 0.00 -1.18 0.00 0.00 59.36 57.70 2xdy h GLU 566 Cb 1.19 -0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 2xdy h GLU 566 CO 0.59 0.91 0.48 -0.22 -1.18 0.00 0.00 179.01 179.59 2xdy h LYS 567 N 1.28 0.93 -0.49 1.92 3.64 -1.99 0.20 116.57 122.06 2xdy h LYS 567 Ca 0.33 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.53 2xdy h LYS 567 Cb -0.01 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 2xdy h LYS 567 CO -0.06 0.61 -0.15 1.49 -2.27 0.00 0.00 179.45 179.07 2xdy h GLU 568 N 0.95 0.96 -0.17 1.90 4.81 -1.88 -1.94 114.58 119.21 2xdy h GLU 568 Ca 0.29 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2xdy h GLU 568 Cb -0.03 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2xdy h GLU 568 CO -0.09 1.04 0.00 0.35 -0.73 0.00 0.00 179.01 179.57 2xdy h PHE 569 N 0.84 0.33 -0.91 0.92 3.57 -0.71 -2.66 116.94 118.32 2xdy h PHE 569 Ca 0.12 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2xdy h PHE 569 Cb 0.71 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 2xdy h PHE 569 CO 0.04 0.51 0.53 0.35 -2.23 0.00 0.00 178.31 177.51 2xdy h PHE 570 N 0.05 1.22 -0.82 0.41 3.57 -0.58 -1.89 116.94 118.90 2xdy h PHE 570 Ca 0.05 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.55 2xdy h PHE 570 Cb 0.38 -0.40 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 2xdy h PHE 570 CO 0.03 0.83 0.54 0.00 -2.23 0.00 0.00 178.31 177.48 2xdy h ALA 571 N 1.29 1.07 -0.24 2.41 0.00 -1.29 -0.12 119.26 122.37 2xdy h ALA 571 Ca 0.32 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 2xdy h ALA 571 Cb -0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 2xdy h ALA 571 CO -0.06 0.40 -0.28 0.87 0.00 0.00 0.00 179.25 180.18 2xdy h LYS 572 N 1.07 0.61 -0.01 0.00 1.57 -1.07 -3.31 116.57 115.43 2xdy h LYS 572 Ca 0.32 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2xdy h LYS 572 Cb -0.06 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2xdy h LYS 572 CO -0.09 0.94 -0.50 1.33 -0.57 0.00 0.00 179.45 180.56 2xdy n VAL 573 N -4.32 0.00 -0.18 0.50 0.24 -0.76 -4.50 118.33 109.32 2xdy n VAL 573 Ca -0.05 -0.14 -0.01 0.00 -2.04 0.00 0.00 64.34 62.11 2xdy n VAL 573 Cb 0.46 0.79 0.09 0.00 -1.47 0.00 0.00 33.84 33.71 2xdy n VAL 573 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2xdy h LYS 574 N 1.28 0.24 -0.37 7.34 3.64 -1.11 -0.22 116.57 127.37 2xdy h LYS 574 Ca 0.00 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 2xdy h LYS 574 Cb 0.60 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2xdy h LYS 574 CO 0.00 0.16 -0.33 1.49 -2.27 0.00 0.00 179.45 178.50 2xdy h GLU 575 N 0.25 0.88 -0.11 1.90 4.22 -1.82 -2.24 114.58 117.66 2xdy h GLU 575 Ca 0.28 -0.45 0.04 0.00 0.08 0.00 0.00 59.36 59.31 2xdy h GLU 575 Cb 0.39 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 2xdy h GLU 575 CO -0.36 1.10 -0.16 1.25 -2.18 0.00 0.00 179.01 178.66 2xdy h LEU 576 N 0.69 -0.50 -0.70 1.64 5.85 -1.61 -2.52 115.31 118.16 2xdy h LEU 576 Ca 0.06 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 2xdy h LEU 576 Cb 0.92 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2xdy h LEU 576 CO 0.08 -0.21 -0.37 0.24 -0.34 0.00 0.00 178.44 177.85 2xdy h MET 577 N -0.21 0.00 0.00 1.25 2.86 -1.04 -3.08 114.93 114.71 2xdy h MET 577 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2xdy h MET 577 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2xdy h MET 577 CO -0.24 0.37 -0.45 -1.13 1.06 0.00 0.00 176.91 176.53 2xdy n SER 578 N -3.40 0.49 -0.87 1.22 3.41 -0.85 -3.89 113.62 109.75 2xdy n SER 578 Ca 0.01 0.01 0.08 0.00 -0.26 0.00 0.00 58.87 58.71 2xdy n SER 578 Cb 0.55 0.07 0.18 0.00 -0.26 0.00 0.00 64.21 64.75 2xdy n SER 578 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2xdy n SER 579 N -1.72 3.08 -4.11 4.04 3.41 -0.96 -4.99 113.62 112.38 2xdy n SER 579 Ca 0.05 -1.91 -0.14 0.00 -0.26 0.00 0.00 58.87 56.61 2xdy n SER 579 Cb 0.37 -0.24 -0.11 0.00 -0.26 0.00 0.00 64.21 63.97 2xdy n SER 579 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2xdy s HIS 580 N -1.11 0.88 -0.17 7.33 4.02 -1.22 -4.94 115.29 120.08 2xdy s HIS 580 Ca 0.30 -0.55 0.16 0.00 1.02 0.00 0.00 55.06 55.99 2xdy s HIS 580 Cb 0.17 -0.51 0.05 0.00 -1.02 0.00 0.00 32.58 31.27 2xdy s HIS 580 CO 0.23 -0.04 1.36 1.96 1.02 0.00 0.00 174.74 179.27 2xdy h GLN 581 N 4.18 0.00 -2.64 1.40 4.20 -0.76 -3.39 115.11 118.10 2xdy h GLN 581 Ca -0.37 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.22 2xdy h GLN 581 Cb 1.19 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.71 2xdy h GLN 581 CO 0.44 0.43 -0.32 0.12 -0.67 0.00 0.00 178.83 178.83 2xdy s PHE 582 N -2.98 -0.62 -0.14 2.96 5.36 -1.15 -1.38 117.98 120.04 2xdy s PHE 582 Ca 0.03 1.30 0.01 0.00 -0.96 0.00 0.00 56.93 57.31 2xdy s PHE 582 Cb 0.08 0.26 0.02 0.00 -0.34 0.00 0.00 43.02 43.03 2xdy s PHE 582 CO 0.75 -0.36 -0.14 0.08 -1.46 0.00 0.00 175.22 174.09 2xdy s VAL 583 N 1.62 1.55 -0.22 3.12 1.01 -0.30 -2.01 120.40 125.16 2xdy s VAL 583 Ca -0.08 -0.63 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 2xdy s VAL 583 Cb -0.09 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 2xdy s VAL 583 CO -0.13 0.45 0.76 -0.69 0.00 0.00 0.00 175.10 175.50 2xdy s VAL 584 N 1.38 4.90 -0.18 2.92 1.01 -0.51 -1.73 120.40 128.19 2xdy s VAL 584 Ca 0.02 1.44 -0.04 0.00 0.00 0.00 0.00 61.98 63.40 2xdy s VAL 584 Cb -0.13 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2xdy s VAL 584 CO -0.09 -0.01 -0.03 -0.69 0.00 0.00 0.00 175.10 174.29 2xdy s VAL 585 N 2.51 3.80 -0.26 2.92 1.01 0.20 -0.85 120.40 129.73 2xdy s VAL 585 Ca 0.33 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 2xdy s VAL 585 Cb -0.16 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2xdy s VAL 585 CO 0.09 0.46 0.11 -0.76 0.00 0.00 0.00 175.10 175.00 2xdy s LEU 586 N 0.74 3.64 0.04 3.92 1.43 -0.05 -0.09 118.68 128.31 2xdy s LEU 586 Ca -0.01 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 2xdy s LEU 586 Cb -0.14 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2xdy s LEU 586 CO 0.02 -0.04 0.21 -0.76 0.23 0.00 0.00 176.35 176.01 2xdy s LEU 587 N 1.64 4.36 0.21 1.79 1.43 0.13 -1.29 118.68 126.96 2xdy s LEU 587 Ca 0.07 0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 53.42 2xdy s LEU 587 Cb -0.15 -2.84 0.17 0.00 0.03 0.00 0.00 46.19 43.40 2xdy s LEU 587 CO 0.06 0.20 1.65 1.55 0.23 0.00 0.00 176.35 180.04 2xdy h PRO 588 N 3.36 0.86 -4.66 1.29 0.13 -1.87 0.17 132.00 131.28 2xdy h PRO 588 Ca -0.47 -0.31 -0.26 0.00 -0.87 0.00 0.00 66.00 64.09 2xdy h PRO 588 Cb 1.17 -0.06 -0.15 0.00 0.13 0.00 0.00 31.00 32.09 2xdy h PRO 588 CO 0.73 0.95 -0.63 1.03 -0.23 0.00 0.00 178.00 179.85 2xdy s ARG 589 N -4.77 1.21 -0.27 0.86 0.52 -1.26 -4.68 118.95 110.56 2xdy s ARG 589 Ca -0.10 -1.63 -0.06 0.00 -0.52 0.00 0.00 55.73 53.42 2xdy s ARG 589 Cb 0.13 0.09 -0.21 0.00 0.52 0.00 0.00 34.95 35.48 2xdy s ARG 589 CO 0.84 -0.33 3.17 1.17 0.02 0.00 0.00 175.30 180.17 2xdy n LYS 590 N -0.29 2.05 -3.01 3.54 4.81 -1.26 -4.85 118.16 119.14 2xdy n LYS 590 Ca -0.00 -1.09 -0.43 0.00 -0.87 0.00 0.00 58.31 55.92 2xdy n LYS 590 Cb 0.66 -2.08 -0.06 0.00 0.02 0.00 0.00 35.03 33.56 2xdy n LYS 590 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2xdy s ASP 591 N 2.19 6.38 0.59 3.14 -1.08 -1.26 -4.93 116.67 121.69 2xdy s ASP 591 Ca 0.60 -0.20 0.37 0.00 -0.52 0.00 0.00 52.55 52.79 2xdy s ASP 591 Cb 0.26 -2.36 1.76 0.00 -1.46 0.00 0.00 42.92 41.12 2xdy s ASP 591 CO -0.01 -0.87 2.14 1.62 0.52 0.00 0.00 175.17 178.56 2xdy h VAL 592 N 5.95 0.09 -0.23 1.11 3.04 -1.98 -2.24 116.25 121.98 2xdy h VAL 592 Ca -0.25 -0.34 -0.17 0.00 -1.01 0.00 0.00 66.70 64.93 2xdy h VAL 592 Cb 1.09 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 2xdy h VAL 592 CO 0.94 0.02 -0.53 0.00 -1.01 0.00 0.00 177.57 176.99 2xdy h ALA 593 N 1.98 0.38 -0.46 3.17 0.00 -1.99 0.13 119.26 122.47 2xdy h ALA 593 Ca -0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 2xdy h ALA 593 Cb 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2xdy h ALA 593 CO 0.00 0.58 -0.19 0.82 0.00 0.00 0.00 179.25 180.45 2xdy h ILE 594 N 0.50 1.27 -0.45 0.00 2.04 -1.89 -2.30 117.51 116.69 2xdy h ILE 594 Ca -0.00 -1.35 0.06 0.00 1.00 0.00 0.00 64.86 64.57 2xdy h ILE 594 Cb 1.14 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 2xdy h ILE 594 CO 0.12 0.46 0.14 0.22 0.00 0.00 0.00 178.15 179.09 2xdy h TYR 595 N 0.78 0.25 -0.88 1.37 3.20 -1.30 -1.69 116.97 118.70 2xdy h TYR 595 Ca 0.10 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2xdy h TYR 595 Cb 0.76 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 2xdy h TYR 595 CO 0.05 0.08 0.51 -0.91 -1.64 0.00 0.00 178.16 176.25 2xdy h ASN 596 N 0.30 1.07 -1.00 -2.11 2.35 -0.64 -0.66 115.58 114.89 2xdy h ASN 596 Ca 0.21 -0.08 0.06 0.00 -0.55 0.00 0.00 56.30 55.94 2xdy h ASN 596 Cb 0.22 -0.27 -0.07 0.00 0.05 0.00 0.00 38.32 38.26 2xdy h ASN 596 CO -0.23 0.84 0.65 -0.03 -1.65 0.00 0.00 177.43 177.01 2xdy h MET 597 N 1.21 1.17 -0.25 0.81 1.85 -0.82 -0.70 114.93 118.20 2xdy h MET 597 Ca 0.31 -0.07 -0.11 0.00 -0.61 0.00 0.00 59.70 59.22 2xdy h MET 597 Cb -0.02 -0.26 -0.00 0.00 0.43 0.00 0.00 31.60 31.74 2xdy h MET 597 CO -0.06 0.77 -0.28 0.28 -0.40 0.00 0.00 176.91 177.23 2xdy h VAL 598 N 1.20 1.31 0.00 -5.77 2.07 -0.75 -3.22 116.25 111.10 2xdy h VAL 598 Ca 0.42 -1.45 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 2xdy h VAL 598 Cb 0.12 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2xdy h VAL 598 CO -0.16 0.46 -0.38 0.11 0.02 0.00 0.00 177.57 177.62 2xdy h LYS 599 N 0.34 0.00 -0.60 1.57 1.79 -0.61 -2.25 116.57 116.82 2xdy h LYS 599 Ca 0.04 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.43 2xdy h LYS 599 Cb 0.84 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.47 2xdy h LYS 599 CO 0.07 0.38 0.07 0.00 -1.08 0.00 0.00 179.45 178.89 2xdy h ARG 600 N 0.00 1.01 -0.31 3.15 3.08 -1.18 -0.89 114.38 119.24 2xdy h ARG 600 Ca -0.00 -0.28 -0.11 0.00 0.07 0.00 0.00 59.98 59.65 2xdy h ARG 600 Cb 0.67 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2xdy h ARG 600 CO 0.05 0.96 -0.23 0.00 -1.07 0.00 0.00 179.97 179.68 2xdy h ALA 601 N 1.01 0.44 -0.31 0.04 0.00 -1.52 -3.01 119.26 115.90 2xdy h ALA 601 Ca 0.18 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2xdy h ALA 601 Cb 0.46 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2xdy h ALA 601 CO 0.02 0.42 0.12 0.00 0.00 0.00 0.00 179.25 179.80 2xdy h ALA 602 N 0.73 1.62 -0.12 0.00 0.00 -1.30 -2.97 119.26 117.23 2xdy h ALA 602 Ca 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2xdy h ALA 602 Cb 0.79 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2xdy h ALA 602 CO 0.06 0.30 -0.01 0.22 0.00 0.00 0.00 179.25 179.82 2xdy h ASP 603 N 0.44 0.15 -0.54 0.00 3.58 -1.02 -2.79 116.42 116.24 2xdy h ASP 603 Ca 0.11 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2xdy h ASP 603 Cb 0.11 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2xdy h ASP 603 CO -0.01 0.19 0.00 2.30 -2.88 0.00 0.00 179.24 178.84 2xdy n ILE 604 N -4.42 1.05 -4.40 2.25 -5.35 -1.13 -4.95 119.36 102.41 2xdy n ILE 604 Ca -0.01 -1.02 -0.34 0.00 -0.27 0.00 0.00 62.75 61.11 2xdy n ILE 604 Cb 0.15 0.48 -0.12 0.00 -1.74 0.00 0.00 39.64 38.41 2xdy n ILE 604 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2xdy s THR 605 N -1.06 3.98 0.08 7.28 2.01 -1.05 -5.10 115.64 121.78 2xdy s THR 605 Ca 0.36 -0.34 -0.12 0.00 0.31 0.00 0.00 61.69 61.91 2xdy s THR 605 Cb 0.19 -2.72 -0.06 0.00 0.01 0.00 0.00 72.50 69.92 2xdy s THR 605 CO 0.24 0.52 0.45 -0.36 -0.69 0.00 0.00 174.62 174.77 2xdy s PHE 606 N 0.09 3.62 -0.13 4.92 0.40 -1.26 -4.38 117.98 121.23 2xdy s PHE 606 Ca -0.00 0.91 0.00 0.00 -0.60 0.00 0.00 56.93 57.24 2xdy s PHE 606 Cb -0.13 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.15 2xdy s PHE 606 CO 0.03 0.52 0.00 0.41 0.70 0.00 0.00 175.22 176.87 2xdy n GLY 607 N 1.05 0.50 3.19 4.36 0.00 -1.26 -4.87 105.19 108.16 2xdy n GLY 607 Ca -0.08 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 2xdy n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xdy s VAL 608 N -1.95 1.29 -0.06 1.61 0.11 -1.26 -4.33 120.40 115.81 2xdy s VAL 608 Ca 0.00 -1.24 0.04 0.00 -2.93 0.00 0.00 61.98 57.85 2xdy s VAL 608 Cb 0.00 -1.19 -0.00 0.00 -1.53 0.00 0.00 36.38 33.66 2xdy s VAL 608 CO 0.00 -0.07 -0.20 -1.00 -3.33 0.00 0.00 175.10 170.50 2xdy s HIS 609 N -1.06 2.02 0.05 1.54 3.76 -0.48 -4.98 115.29 116.14 2xdy s HIS 609 Ca 0.02 -0.68 0.04 0.00 -0.15 0.00 0.00 55.06 54.30 2xdy s HIS 609 Cb -0.09 -1.36 -0.04 0.00 1.11 0.00 0.00 32.58 32.20 2xdy s HIS 609 CO 0.02 -0.25 -0.04 0.95 -0.85 0.00 0.00 174.74 174.57 2xdy s THR 610 N 0.17 3.79 -0.07 1.30 -4.23 -1.26 -1.15 115.64 114.19 2xdy s THR 610 Ca -0.09 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.51 2xdy s THR 610 Cb -0.14 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 70.97 2xdy s THR 610 CO 0.04 0.24 -0.13 0.54 -0.54 0.00 0.00 174.62 174.77 2xdy s VAL 611 N -1.16 1.21 -0.05 2.29 0.11 -0.70 -4.96 120.40 117.13 2xdy s VAL 611 Ca 0.21 -0.51 -0.12 0.00 -2.93 0.00 0.00 61.98 58.63 2xdy s VAL 611 Cb -0.11 -1.11 -0.05 0.00 -1.53 0.00 0.00 36.38 33.57 2xdy s VAL 611 CO 0.13 0.38 0.31 0.00 -3.33 0.00 0.00 175.10 172.58 2xdy s VAL 614 N -2.09 4.91 0.16 0.00 1.01 -1.26 0.21 120.40 123.34 2xdy s VAL 614 Ca -0.09 1.66 -0.17 0.00 0.00 0.00 0.00 61.98 63.38 2xdy s VAL 614 Cb -0.05 -4.14 0.08 0.00 0.00 0.00 0.00 36.38 32.26 2xdy s VAL 614 CO -0.03 0.09 1.68 0.00 0.00 0.00 0.00 175.10 176.84 2xdy h ALA 615 N 7.14 0.29 -0.66 5.51 0.00 -1.23 -1.46 119.26 128.85 2xdy h ALA 615 Ca -0.33 0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.80 2xdy h ALA 615 Cb 1.15 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 2xdy h ALA 615 CO 0.81 -0.44 0.33 1.49 0.00 0.00 0.00 179.25 181.44 2xdy h GLU 616 N 0.03 0.57 -0.23 0.00 4.22 -1.85 -0.75 114.58 116.56 2xdy h GLU 616 Ca 0.19 -0.03 -0.13 0.00 0.08 0.00 0.00 59.36 59.46 2xdy h GLU 616 Cb 0.28 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2xdy h GLU 616 CO -0.38 0.38 -0.41 0.87 -2.18 0.00 0.00 179.01 177.29 2xdy h LYS 617 N 0.59 0.56 0.00 1.92 1.79 -1.82 -0.32 116.57 119.29 2xdy h LYS 617 Ca 0.32 -0.29 -0.10 0.00 -2.18 0.00 0.00 60.65 58.40 2xdy h LYS 617 Cb 0.30 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2xdy h LYS 617 CO -0.24 0.87 -0.45 0.35 -1.08 0.00 0.00 179.45 178.90 2xdy h PHE 618 N 0.46 0.00 0.00 -1.35 3.57 -0.47 -3.34 116.94 115.80 2xdy h PHE 618 Ca 0.04 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.16 2xdy h PHE 618 Cb 0.92 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.59 2xdy h PHE 618 CO 0.04 0.45 -2.42 1.28 -2.23 0.00 0.00 178.31 175.44 2xdy n LEU 619 N -3.97 1.47 -4.70 0.59 4.77 -0.36 -4.95 117.00 109.85 2xdy n LEU 619 Ca -0.02 -0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.49 2xdy n LEU 619 Cb 0.48 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 2xdy n LEU 619 CO 0.40 0.71 1.32 -0.55 -1.33 0.00 0.00 177.39 177.94 2xdy s SER 620 N -6.01 6.57 0.10 -1.43 0.15 -0.14 -4.93 113.70 108.02 2xdy s SER 620 Ca -0.22 2.56 -0.28 0.00 0.70 0.00 0.00 55.95 58.71 2xdy s SER 620 Cb 0.07 -2.57 -0.10 0.00 -1.71 0.00 0.00 66.02 61.71 2xdy s SER 620 CO 0.72 -0.89 1.64 0.74 1.20 0.00 0.00 173.24 176.65 2xdy h THR 621 N 4.58 0.42 -2.63 6.45 2.02 -1.92 -2.92 112.91 118.91 2xdy h THR 621 Ca -0.43 0.00 -0.56 0.00 0.77 0.00 0.00 66.41 66.19 2xdy h THR 621 Cb 1.20 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 2xdy h THR 621 CO 0.93 0.00 1.14 -0.54 0.37 0.00 0.00 175.52 177.42 2xdy s LYS 622 N -6.06 3.91 0.00 6.66 1.02 -1.26 -2.29 119.74 121.73 2xdy s LYS 622 Ca -0.16 1.94 0.00 0.00 0.02 0.00 0.00 55.97 57.77 2xdy s LYS 622 Cb 0.07 -4.05 0.00 0.00 -0.52 0.00 0.00 37.83 33.34 2xdy s LYS 622 CO 0.65 -1.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 2xdy n GLY 623 N 4.53 0.72 0.19 -3.33 0.00 -1.26 -4.95 105.19 101.09 2xdy n GLY 623 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 2xdy n GLY 623 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2xdy h GLN 624 N 4.16 0.59 -0.34 1.61 4.15 -1.25 -1.38 115.11 122.65 2xdy h GLN 624 Ca 0.00 -0.13 -0.12 0.00 0.77 0.00 0.00 58.65 59.16 2xdy h GLN 624 Cb 0.00 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 2xdy h GLN 624 CO 0.00 0.61 -0.29 -0.07 -1.93 0.00 0.00 178.83 177.15 2xdy h LEU 625 N 0.45 0.73 -0.70 -2.39 3.38 -1.88 0.28 115.31 115.19 2xdy h LEU 625 Ca 0.12 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2xdy h LEU 625 Cb 0.28 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2xdy h LEU 625 CO -0.00 0.98 0.26 1.23 0.09 0.00 0.00 178.44 181.00 2xdy h GLY 626 N 0.98 1.13 0.73 0.83 0.00 -1.94 -1.59 103.07 103.20 2xdy h GLY 626 Ca 0.07 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 2xdy h GLY 626 CO 0.07 0.59 -0.00 -1.82 0.00 0.00 0.00 176.54 175.37 2xdy h TYR 627 N 1.00 0.15 -0.87 5.60 3.20 -0.74 -2.19 116.97 123.11 2xdy h TYR 627 Ca 0.23 -0.03 0.22 0.00 3.14 0.00 0.00 58.73 62.29 2xdy h TYR 627 Cb 0.23 -0.04 -0.13 0.00 1.54 0.00 0.00 36.73 38.34 2xdy h TYR 627 CO 0.02 0.42 0.33 0.74 -1.64 0.00 0.00 178.16 178.02 2xdy h PHE 628 N -0.16 0.53 -0.47 -3.82 -1.00 -0.40 0.54 116.94 112.14 2xdy h PHE 628 Ca 0.02 0.04 -0.07 0.00 2.81 0.00 0.00 57.97 60.77 2xdy h PHE 628 Cb 0.36 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 2xdy h PHE 628 CO 0.04 -0.10 -0.01 0.00 -1.61 0.00 0.00 178.31 176.63 2xdy h ALA 629 N 1.72 1.10 -0.15 2.45 0.00 -0.97 0.11 119.26 123.52 2xdy h ALA 629 Ca 0.54 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2xdy h ALA 629 Cb 1.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2xdy h ALA 629 CO -0.56 0.57 -0.24 -0.91 0.00 0.00 0.00 179.25 178.11 2xdy h ASN 630 N 0.73 0.46 -0.41 0.00 2.35 -0.49 -2.82 115.58 115.40 2xdy h ASN 630 Ca 0.14 -0.53 -0.01 0.00 -0.55 0.00 0.00 56.30 55.35 2xdy h ASN 630 Cb 0.46 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 2xdy h ASN 630 CO 0.02 0.91 0.23 0.58 -1.65 0.00 0.00 177.43 177.52 2xdy h VAL 631 N 0.04 1.14 0.00 2.81 2.07 -0.84 -1.60 116.25 119.87 2xdy h VAL 631 Ca 0.01 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2xdy h VAL 631 Cb 0.81 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2xdy h VAL 631 CO 0.05 0.16 -0.13 1.23 0.02 0.00 0.00 177.57 178.90 2xdy h GLY 632 N 0.69 0.00 0.84 2.17 0.00 -0.67 -1.97 103.07 104.13 2xdy h GLY 632 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2xdy h GLY 632 CO -0.02 0.00 -0.12 1.41 0.00 0.00 0.00 176.54 177.80 2xdy h LEU 633 N 0.00 -0.33 -0.84 3.11 3.38 -1.03 -0.34 115.31 119.25 2xdy h LEU 633 Ca -0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2xdy h LEU 633 Cb 0.26 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2xdy h LEU 633 CO 0.02 -0.19 0.39 0.11 0.09 0.00 0.00 178.44 178.86 2xdy h LYS 634 N -0.27 1.22 -0.26 1.13 1.57 -1.47 -2.21 116.57 116.29 2xdy h LYS 634 Ca 0.01 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2xdy h LYS 634 Cb 0.26 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2xdy h LYS 634 CO -0.04 0.95 0.11 0.28 -0.57 0.00 0.00 179.45 180.18 2xdy h VAL 635 N 1.21 1.17 -0.48 0.50 2.07 -1.22 -2.38 116.25 117.12 2xdy h VAL 635 Ca 0.29 -0.51 0.08 0.00 0.82 0.00 0.00 66.70 67.37 2xdy h VAL 635 Cb 0.14 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 2xdy h VAL 635 CO -0.03 0.17 0.11 -1.13 0.02 0.00 0.00 177.57 176.71 2xdy h ASN 636 N 0.27 0.03 0.03 0.57 -1.24 -0.87 -1.77 115.58 112.60 2xdy h ASN 636 Ca 0.09 0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.15 2xdy h ASN 636 Cb 0.17 0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 2xdy h ASN 636 CO -0.01 0.05 -0.07 -0.07 -1.29 0.00 0.00 177.43 176.04 2xdy h LEU 637 N 0.25 0.10 -0.21 0.34 3.38 -1.22 0.78 115.31 118.74 2xdy h LEU 637 Ca 0.24 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 58.00 2xdy h LEU 637 Cb 0.30 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2xdy h LEU 637 CO -0.30 0.20 -0.91 0.11 0.09 0.00 0.00 178.44 177.63 2xdy h LYS 638 N 0.11 0.05 0.00 1.13 1.57 -0.81 -3.39 116.57 115.22 2xdy h LYS 638 Ca 0.03 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 2xdy h LYS 638 Cb 0.21 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 2xdy h LYS 638 CO 0.01 0.92 -1.60 1.19 -0.57 0.00 0.00 179.45 179.40 2xdy n PHE 639 N -3.51 0.00 1.50 -1.35 3.72 -0.87 -5.08 117.46 111.87 2xdy n PHE 639 Ca -0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.51 2xdy n PHE 639 Cb 0.85 -0.40 0.71 0.00 -0.94 0.00 0.00 39.48 39.70 2xdy n PHE 639 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12