#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3htp h LEU 502 N 0.00 0.00 -2.58 0.99 5.85 -1.94 -2.78 115.31 114.86 3htp h LEU 502 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3htp h LEU 502 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3htp h LEU 502 CO 0.00 0.28 0.00 0.49 -0.34 0.00 0.00 178.44 178.87 3htp n PHE 503 N -3.40 0.43 -1.04 1.25 3.01 -1.26 -5.00 117.46 111.45 3htp n PHE 503 Ca 0.00 -0.40 -0.01 0.00 1.01 0.00 0.00 57.45 58.05 3htp n PHE 503 Cb 0.48 -0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 39.92 3htp n PHE 503 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3htp n GLY 504 N 0.70 0.22 0.01 1.37 0.00 -1.05 -4.90 105.19 101.53 3htp n GLY 504 Ca 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 3htp n GLY 504 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3htp h ALA 505 N 0.00 0.00 -2.54 4.61 0.00 -1.87 0.23 119.26 119.68 3htp h ALA 505 Ca -0.03 -0.16 -0.55 0.00 0.00 0.00 0.00 54.91 54.17 3htp h ALA 505 Cb 0.87 0.03 0.08 0.00 0.00 0.00 0.00 17.79 18.76 3htp h ALA 505 CO 0.04 0.03 0.81 -1.33 0.00 0.00 0.00 179.25 178.80 3htp n MET 506 N -2.39 2.43 -1.63 0.00 2.81 -1.26 -0.33 117.12 116.74 3htp n MET 506 Ca -0.00 0.87 -0.09 0.00 -1.81 0.00 0.00 57.70 56.66 3htp n MET 506 Cb 0.01 -2.62 -0.03 0.00 -0.71 0.00 0.00 33.22 29.87 3htp n MET 506 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3htp n ALA 507 N 2.58 -0.36 -2.78 3.04 0.00 -1.20 -2.18 120.51 119.62 3htp n ALA 507 Ca 0.12 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3htp n ALA 507 Cb 0.34 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3htp n ALA 507 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3htp n GLY 508 N -0.34 1.60 0.09 0.00 0.00 0.55 -4.76 105.19 102.33 3htp n GLY 508 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3htp n GLY 508 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3htp n PHE 509 N 0.00 0.65 -3.28 1.61 1.16 0.79 -3.00 117.46 115.39 3htp n PHE 509 Ca 0.00 0.23 -0.27 0.00 -1.87 0.00 0.00 57.45 55.55 3htp n PHE 509 Cb 0.00 -0.88 -0.07 0.00 -1.61 0.00 0.00 39.48 36.92 3htp n PHE 509 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 3htp n ILE 510 N -2.07 2.33 -1.95 1.97 5.41 -0.72 -3.87 119.36 120.47 3htp n ILE 510 Ca 0.04 -5.24 -0.39 0.00 1.00 0.00 0.00 62.75 58.15 3htp n ILE 510 Cb 0.28 -1.88 0.01 0.00 -0.71 0.00 0.00 39.64 37.34 3htp n ILE 510 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3htp s GLU 511 N -2.66 3.75 0.28 0.38 -1.05 -1.16 -3.27 118.70 114.96 3htp s GLU 511 Ca 0.42 2.23 0.00 0.00 -0.15 0.00 0.00 54.97 57.47 3htp s GLU 511 Cb 0.19 -2.63 0.00 0.00 -0.44 0.00 0.00 34.13 31.24 3htp s GLU 511 CO -0.05 -0.70 0.00 0.41 0.95 0.00 0.00 175.26 175.87 3htp n GLY 512 N 0.63 -3.55 3.85 -3.83 0.00 -1.26 -4.84 105.19 96.18 3htp n GLY 512 Ca 0.05 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 3htp n GLY 512 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3htp s GLY 513 N -3.70 2.47 -0.33 -0.02 0.00 -1.26 -4.88 107.32 99.60 3htp s GLY 513 Ca 0.00 -1.28 -0.10 0.00 0.00 0.00 0.00 44.72 43.34 3htp s GLY 513 CO 0.00 -1.97 0.16 -0.98 0.00 0.00 0.00 173.10 170.31 3htp s TRP 514 N -2.74 3.20 0.26 1.90 0.51 -1.26 -4.92 118.94 115.88 3htp s TRP 514 Ca 0.31 -0.80 -0.02 0.00 -2.12 0.00 0.00 56.10 53.47 3htp s TRP 514 Cb -0.01 -2.37 0.33 0.00 -0.81 0.00 0.00 33.47 30.61 3htp s TRP 514 CO 0.19 -0.55 1.77 1.15 -0.51 0.00 0.00 176.95 178.99 3htp h THR 515 N 5.78 1.24 -0.57 2.01 2.02 -2.03 -3.00 112.91 118.35 3htp h THR 515 Ca -0.29 -0.97 0.07 0.00 0.77 0.00 0.00 66.41 65.99 3htp h THR 515 Cb 1.13 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 68.29 3htp h THR 515 CO 0.63 0.35 0.25 1.23 0.37 0.00 0.00 175.52 178.35 3htp h GLY 516 N 0.98 0.81 -6.94 2.16 0.00 -2.04 -3.38 103.07 94.66 3htp h GLY 516 Ca 0.16 -0.16 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 3htp h GLY 516 CO 0.01 0.05 1.23 -0.29 0.00 0.00 0.00 176.54 177.54 3htp s MET 517 N -6.11 3.31 -0.01 4.80 0.00 -1.14 -4.80 119.30 115.36 3htp s MET 517 Ca -0.13 1.18 0.05 0.00 0.00 0.00 0.00 55.69 56.79 3htp s MET 517 Cb 0.16 -4.17 0.13 0.00 0.00 0.00 0.00 34.83 30.94 3htp s MET 517 CO 0.74 -1.89 1.10 0.44 0.00 0.00 0.00 175.02 175.42 3htp n ILE 518 N 7.29 1.05 -1.42 10.11 -5.35 -1.26 -4.65 119.36 125.13 3htp n ILE 518 Ca 0.21 -1.05 0.06 0.00 -0.27 0.00 0.00 62.75 61.70 3htp n ILE 518 Cb 0.48 0.46 0.19 0.00 -1.74 0.00 0.00 39.64 39.03 3htp n ILE 518 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3htp n ASP 519 N -0.16 2.01 0.00 7.28 3.85 -1.26 -5.07 116.55 123.20 3htp n ASP 519 Ca 0.05 -3.65 0.00 0.00 -0.71 0.00 0.00 54.79 50.49 3htp n ASP 519 Cb 0.34 -0.51 0.00 0.00 -1.35 0.00 0.00 41.12 39.60 3htp n ASP 519 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3htp n GLY 520 N -1.19 -0.85 0.13 6.12 0.00 -1.26 -4.64 105.19 103.49 3htp n GLY 520 Ca 0.19 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 3htp n GLY 520 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3htp n TRP 521 N -0.50 1.05 -4.43 1.61 8.01 -1.26 -4.94 117.44 116.98 3htp n TRP 521 Ca 0.00 0.30 -0.25 0.00 -1.31 0.00 0.00 57.50 56.24 3htp n TRP 521 Cb 0.00 -1.13 -0.13 0.00 -2.01 0.00 0.00 31.31 28.04 3htp n TRP 521 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3htp s TYR 522 N -2.49 1.89 0.00 -5.99 2.02 -1.26 -5.06 117.35 106.46 3htp s TYR 522 Ca -0.26 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.04 3htp s TYR 522 Cb 0.07 -1.06 0.00 0.00 -0.40 0.00 0.00 41.96 40.56 3htp s TYR 522 CO 0.68 0.19 0.00 0.41 -1.57 0.00 0.00 175.55 175.26 3htp n GLY 523 N 1.31 0.76 3.53 0.71 0.00 -1.26 -0.49 105.19 109.75 3htp n GLY 523 Ca -0.19 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 3htp n GLY 523 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3htp s TYR 524 N -1.77 1.87 -0.27 1.61 1.51 0.55 -4.80 117.35 116.05 3htp s TYR 524 Ca 0.00 -1.12 -0.00 0.00 -1.01 0.00 0.00 57.07 54.93 3htp s TYR 524 Cb 0.00 -1.27 0.15 0.00 -0.11 0.00 0.00 41.96 40.72 3htp s TYR 524 CO 0.00 -0.11 0.38 -1.58 -1.11 0.00 0.00 175.55 173.13 3htp s HIS 525 N -3.18 -0.88 0.44 2.71 2.46 -1.26 -1.16 115.29 114.43 3htp s HIS 525 Ca 0.25 0.50 0.03 0.00 0.47 0.00 0.00 55.06 56.31 3htp s HIS 525 Cb 0.04 -0.11 0.01 0.00 -0.13 0.00 0.00 32.58 32.39 3htp s HIS 525 CO 0.13 -0.86 0.64 -3.38 -2.47 0.00 0.00 174.74 168.80 3htp s HIS 526 N 2.53 3.07 -0.32 3.88 -3.43 -1.08 -4.94 115.29 115.00 3htp s HIS 526 Ca 0.11 0.00 0.05 0.00 -0.80 0.00 0.00 55.06 54.42 3htp s HIS 526 Cb -0.14 -2.35 0.18 0.00 -1.43 0.00 0.00 32.58 28.84 3htp s HIS 526 CO -0.24 -0.40 0.51 -1.14 -2.00 0.00 0.00 174.74 171.47 3htp s GLN 527 N -4.49 0.55 0.48 -0.38 2.00 -1.26 -2.99 119.66 113.57 3htp s GLN 527 Ca 0.50 0.15 0.02 0.00 -2.00 0.00 0.00 55.36 54.03 3htp s GLN 527 Cb -0.10 -0.06 -0.02 0.00 0.80 0.00 0.00 33.01 33.63 3htp s GLN 527 CO 0.36 -1.08 0.03 0.54 -0.50 0.00 0.00 175.29 174.64 3htp s ASN 528 N 2.45 3.78 0.09 6.67 4.22 -1.05 -5.01 114.94 126.09 3htp s ASN 528 Ca 0.11 -1.64 0.06 0.00 -2.14 0.00 0.00 52.86 49.25 3htp s ASN 528 Cb -0.10 0.47 0.30 0.00 1.28 0.00 0.00 41.25 43.20 3htp s ASN 528 CO -0.23 -0.85 1.13 -0.62 -2.04 0.00 0.00 177.10 174.50 3htp n GLU 529 N -1.16 0.04 0.03 3.55 1.02 -1.26 -1.89 120.64 120.97 3htp n GLU 529 Ca -0.15 0.50 0.01 0.00 -0.02 0.00 0.00 57.16 57.50 3htp n GLU 529 Cb 0.66 -1.67 -0.08 0.00 -0.02 0.00 0.00 31.44 30.34 3htp n GLU 529 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3htp n GLN 530 N -1.67 0.62 -2.41 3.49 -0.06 -1.26 -5.07 117.38 111.02 3htp n GLN 530 Ca -0.00 0.20 0.00 0.00 -2.00 0.00 0.00 57.00 55.20 3htp n GLN 530 Cb 0.06 -1.80 0.00 0.00 -4.06 0.00 0.00 30.24 24.44 3htp n GLN 530 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3htp n GLY 531 N 1.38 -0.80 3.29 1.69 0.00 -0.79 -5.15 105.19 104.81 3htp n GLY 531 Ca -0.09 -1.53 -0.19 0.00 0.00 0.00 0.00 46.02 44.21 3htp n GLY 531 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3htp s SER 532 N -2.46 1.62 0.00 1.61 1.04 -1.26 -2.53 113.70 111.72 3htp s SER 532 Ca 0.00 -1.73 0.00 0.00 0.48 0.00 0.00 55.95 54.70 3htp s SER 532 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3htp s SER 532 CO 0.00 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.79 3htp n GLY 533 N -0.61 2.32 3.83 7.32 0.00 -1.16 -5.01 105.19 111.88 3htp n GLY 533 Ca 0.07 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 3htp n GLY 533 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3htp s TYR 534 N -2.00 3.34 -0.26 1.61 1.51 -1.26 -2.62 117.35 117.66 3htp s TYR 534 Ca 0.00 0.17 -0.04 0.00 -1.01 0.00 0.00 57.07 56.19 3htp s TYR 534 Cb 0.00 -1.70 0.14 0.00 -0.11 0.00 0.00 41.96 40.30 3htp s TYR 534 CO 0.00 0.56 0.49 0.00 -1.11 0.00 0.00 175.55 175.49 3htp s ALA 535 N -1.40 -1.60 0.31 3.71 0.00 -0.31 -4.96 121.76 117.51 3htp s ALA 535 Ca 0.30 1.53 -0.29 0.00 0.00 0.00 0.00 51.96 53.50 3htp s ALA 535 Cb -0.12 -1.77 -0.10 0.00 0.00 0.00 0.00 23.12 21.13 3htp s ALA 535 CO 0.23 -1.13 1.32 0.00 0.00 0.00 0.00 175.76 176.18 3htp s ALA 536 N 2.71 3.52 -0.38 0.00 0.00 -1.26 -0.33 121.76 126.01 3htp s ALA 536 Ca 0.10 1.25 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 3htp s ALA 536 Cb -0.14 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3htp s ALA 536 CO -0.17 -0.64 1.51 0.34 0.00 0.00 0.00 175.76 176.80 3htp s ASP 537 N -0.30 6.24 0.20 0.00 3.68 0.36 -4.85 116.67 122.00 3htp s ASP 537 Ca 0.51 0.99 -0.11 0.00 2.13 0.00 0.00 52.55 56.08 3htp s ASP 537 Cb -0.40 -2.54 0.13 0.00 -1.45 0.00 0.00 42.92 38.67 3htp s ASP 537 CO 0.50 -1.48 1.84 -0.61 0.13 0.00 0.00 175.17 175.55 3htp h GLN 538 N 11.19 0.97 0.41 4.34 5.75 -1.91 -2.73 115.11 133.12 3htp h GLN 538 Ca -0.29 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.10 3htp h GLN 538 Cb 1.12 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.47 3htp h GLN 538 CO 1.07 0.69 -0.20 0.87 -2.65 0.00 0.00 178.83 178.61 3htp h LYS 539 N 0.97 -0.53 -0.81 1.69 1.57 -1.97 -0.20 116.57 117.30 3htp h LYS 539 Ca 0.26 0.04 0.23 0.00 -1.87 0.00 0.00 60.65 59.30 3htp h LYS 539 Cb -0.03 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3htp h LYS 539 CO -0.05 -0.35 0.58 0.66 -0.57 0.00 0.00 179.45 179.72 3htp h SER 540 N -0.62 0.05 0.14 0.86 4.64 -1.96 0.21 113.55 116.86 3htp h SER 540 Ca -0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3htp h SER 540 Cb 0.42 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3htp h SER 540 CO 0.09 0.02 -0.07 0.74 -0.87 0.00 0.00 176.83 176.74 3htp h THR 541 N 0.05 0.99 -0.54 2.95 2.02 -1.41 -1.66 112.91 115.30 3htp h THR 541 Ca 0.39 -1.08 0.07 0.00 0.77 0.00 0.00 66.41 66.56 3htp h THR 541 Cb 1.48 1.60 -0.06 0.00 -1.74 0.00 0.00 68.15 69.43 3htp h THR 541 CO -0.02 0.23 0.21 1.56 0.37 0.00 0.00 175.52 177.87 3htp h GLN 542 N -0.75 0.38 0.70 6.66 1.08 0.92 -0.14 115.11 123.96 3htp h GLN 542 Ca -0.02 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 3htp h GLN 542 Cb 0.53 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 27.88 3htp h GLN 542 CO 0.03 0.25 -0.34 -0.91 -0.95 0.00 0.00 178.83 176.92 3htp h ASN 543 N 0.39 -0.80 -0.96 1.46 2.35 -0.74 -0.50 115.58 116.78 3htp h ASN 543 Ca 0.26 0.02 0.23 0.00 -0.55 0.00 0.00 56.30 56.27 3htp h ASN 543 Cb 0.29 0.21 -0.12 0.00 0.05 0.00 0.00 38.32 38.74 3htp h ASN 543 CO -0.26 -0.56 0.52 0.00 -1.65 0.00 0.00 177.43 175.48 3htp h ALA 544 N -0.65 1.64 0.52 -0.83 0.00 -0.93 0.71 119.26 119.72 3htp h ALA 544 Ca -0.10 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3htp h ALA 544 Cb 0.73 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3htp h ALA 544 CO 0.16 -0.27 -0.37 0.82 0.00 0.00 0.00 179.25 179.59 3htp h ILE 545 N 0.54 0.24 -0.55 0.00 1.08 -0.46 -0.93 117.51 117.43 3htp h ILE 545 Ca 0.60 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 65.18 3htp h ILE 545 Cb 1.12 0.24 -0.09 0.00 -3.07 0.00 0.00 36.82 35.02 3htp h ILE 545 CO -0.48 0.00 0.04 0.44 -0.69 0.00 0.00 178.15 177.46 3htp h ASP 546 N -0.87 -0.17 0.13 1.72 3.32 0.70 0.21 116.42 121.47 3htp h ASP 546 Ca -0.06 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3htp h ASP 546 Cb 0.73 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3htp h ASP 546 CO 0.02 -0.06 -0.06 1.23 -1.72 0.00 0.00 179.24 178.65 3htp h GLY 547 N 0.15 -0.18 1.13 2.75 0.00 -0.88 0.22 103.07 106.26 3htp h GLY 547 Ca 0.28 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.69 3htp h GLY 547 CO -0.44 -0.07 0.57 -2.22 0.00 0.00 0.00 176.54 174.38 3htp h ILE 548 N -0.32 1.23 0.06 2.60 1.08 -0.90 0.52 117.51 121.78 3htp h ILE 548 Ca -0.02 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 3htp h ILE 548 Cb 0.26 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 33.95 3htp h ILE 548 CO 0.03 0.23 -0.06 0.74 -0.69 0.00 0.00 178.15 178.40 3htp h THR 549 N 1.19 0.87 -0.80 -0.27 2.02 -0.34 0.30 112.91 115.89 3htp h THR 549 Ca 0.32 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.48 3htp h THR 549 Cb -0.12 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 3htp h THR 549 CO -0.07 0.00 0.42 -1.13 0.37 0.00 0.00 175.52 175.11 3htp h ASN 550 N -0.13 1.01 -0.09 4.18 -0.73 0.24 -1.00 115.58 119.06 3htp h ASN 550 Ca 0.00 -0.10 -0.00 0.00 1.87 0.00 0.00 56.30 58.07 3htp h ASN 550 Cb 0.12 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 38.45 3htp h ASN 550 CO -0.02 0.82 0.05 0.50 -0.37 0.00 0.00 177.43 178.41 3htp h LYS 551 N 1.12 0.13 0.02 6.67 3.64 0.61 -0.44 116.57 128.32 3htp h LYS 551 Ca 0.28 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3htp h LYS 551 Cb 0.06 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3htp h LYS 551 CO -0.04 0.20 -0.04 0.28 -2.27 0.00 0.00 179.45 177.58 3htp h VAL 552 N 0.03 0.91 -0.52 2.00 2.07 -0.69 -1.53 116.25 118.52 3htp h VAL 552 Ca 0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.65 3htp h VAL 552 Cb 0.11 0.91 -0.09 0.00 -1.52 0.00 0.00 31.29 30.70 3htp h VAL 552 CO -0.00 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.37 3htp h ASN 553 N -0.07 -0.22 0.24 0.57 -0.26 -1.03 -0.46 115.58 114.35 3htp h ASN 553 Ca 0.01 0.13 0.01 0.00 -0.56 0.00 0.00 56.30 55.88 3htp h ASN 553 Cb 0.08 0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.53 3htp h ASN 553 CO -0.02 -0.08 -0.32 0.28 -1.06 0.00 0.00 177.43 176.23 3htp h SER 554 N 0.12 -0.89 -0.89 5.81 0.02 -0.65 1.12 113.55 118.19 3htp h SER 554 Ca 0.27 0.09 0.16 0.00 -0.84 0.00 0.00 61.79 61.47 3htp h SER 554 Cb 0.41 0.32 -0.07 0.00 0.14 0.00 0.00 62.40 63.19 3htp h SER 554 CO -0.44 -0.44 0.58 0.40 -1.14 0.00 0.00 176.83 175.79 3htp h ILE 555 N -0.62 0.78 0.00 3.27 2.04 -0.66 0.13 117.51 122.44 3htp h ILE 555 Ca 0.00 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 3htp h ILE 555 Cb 0.60 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3htp h ILE 555 CO -0.11 0.11 -0.24 0.40 0.00 0.00 0.00 178.15 178.31 3htp h ILE 556 N 0.60 0.96 0.00 -0.67 2.04 -0.37 -3.39 117.51 116.67 3htp h ILE 556 Ca 0.46 -1.79 -0.06 0.00 1.00 0.00 0.00 64.86 64.46 3htp h ILE 556 Cb 0.86 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 3htp h ILE 556 CO -0.20 0.32 -0.30 -0.33 0.00 0.00 0.00 178.15 177.64 3htp h GLU 557 N -1.00 0.00 0.00 2.37 5.08 0.14 -2.76 114.58 118.41 3htp h GLU 557 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3htp h GLU 557 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3htp h GLU 557 CO -0.03 0.30 0.00 1.63 -1.00 0.00 0.00 179.01 179.91 3htp n LYS 558 N -3.86 0.31 -2.66 2.33 4.76 0.44 -4.63 118.16 114.85 3htp n LYS 558 Ca -0.01 0.10 -0.43 0.00 -2.87 0.00 0.00 58.31 55.09 3htp n LYS 558 Cb 0.38 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.04 3htp n LYS 558 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3htp s MET 559 N -2.48 3.66 0.33 1.97 1.75 -1.04 -5.02 119.30 118.47 3htp s MET 559 Ca 0.19 0.43 -0.13 0.00 -1.25 0.00 0.00 55.69 54.92 3htp s MET 559 Cb 0.12 -3.92 -0.08 0.00 2.84 0.00 0.00 34.83 33.79 3htp s MET 559 CO 0.26 -1.35 0.73 1.21 -0.65 0.00 0.00 175.02 175.22 3htp s ASN 560 N 2.43 6.70 -0.18 1.11 3.04 -1.26 -5.09 114.94 121.69 3htp s ASN 560 Ca 0.45 1.21 -0.07 0.00 0.04 0.00 0.00 52.86 54.49 3htp s ASN 560 Cb -0.08 -2.35 0.08 0.00 -1.54 0.00 0.00 41.25 37.36 3htp s ASN 560 CO 0.30 -0.24 0.39 0.42 -3.04 0.00 0.00 177.10 174.93 3htp s THR 561 N -2.05 -0.46 0.14 -5.21 -4.23 -1.26 -5.14 115.64 97.42 3htp s THR 561 Ca 0.53 0.17 -0.16 0.00 -1.18 0.00 0.00 61.69 61.05 3htp s THR 561 Cb -0.10 -0.61 -0.07 0.00 1.34 0.00 0.00 72.50 73.06 3htp s THR 561 CO 0.21 0.07 0.56 -1.10 -0.54 0.00 0.00 174.62 173.82 3htp s GLN 562 N 2.29 4.04 -0.03 3.99 -1.52 -1.26 -5.00 119.66 122.16 3htp s GLN 562 Ca -0.03 0.56 -0.30 0.00 -1.95 0.00 0.00 55.36 53.64 3htp s GLN 562 Cb -0.11 -2.98 -0.06 0.00 -0.22 0.00 0.00 33.01 29.64 3htp s GLN 562 CO -0.12 0.50 1.65 0.12 -0.25 0.00 0.00 175.29 177.19 3htp s PHE 563 N -1.41 2.06 0.18 0.91 5.36 -1.26 -4.95 117.98 118.87 3htp s PHE 563 Ca 0.37 0.22 -0.12 0.00 -0.96 0.00 0.00 56.93 56.44 3htp s PHE 563 Cb -0.16 -3.92 0.01 0.00 -0.34 0.00 0.00 43.02 38.61 3htp s PHE 563 CO 0.19 -3.82 0.38 0.95 -1.46 0.00 0.00 175.22 171.45 3htp s THR 564 N 3.79 0.05 -0.26 0.12 -4.23 -1.26 -5.13 115.64 108.72 3htp s THR 564 Ca 0.73 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.10 3htp s THR 564 Cb -0.34 -1.74 0.07 0.00 1.34 0.00 0.00 72.50 71.83 3htp s THR 564 CO 0.30 -0.23 -0.01 0.00 -0.54 0.00 0.00 174.62 174.14 3htp s ALA 565 N -3.93 2.01 0.10 3.99 0.00 -1.26 -5.05 121.76 117.62 3htp s ALA 565 Ca 0.14 -1.57 -0.30 0.00 0.00 0.00 0.00 51.96 50.23 3htp s ALA 565 Cb 0.02 -1.54 -0.12 0.00 0.00 0.00 0.00 23.12 21.48 3htp s ALA 565 CO -0.01 -1.34 1.62 0.28 0.00 0.00 0.00 175.76 176.30 3htp h VAL 566 N 6.63 0.31 -2.47 0.00 2.07 -2.01 -3.45 116.25 117.33 3htp h VAL 566 Ca -0.15 0.00 -0.58 0.00 0.82 0.00 0.00 66.70 66.79 3htp h VAL 566 Cb 1.06 0.31 0.19 0.00 -1.52 0.00 0.00 31.29 31.33 3htp h VAL 566 CO 0.44 0.00 -0.97 0.61 0.02 0.00 0.00 177.57 177.67 3htp n GLY 567 N -1.44 -2.78 0.22 2.17 0.00 -1.26 -5.01 105.19 97.09 3htp n GLY 567 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3htp n GLY 567 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3htp n LYS 568 N 0.83 0.00 -2.04 1.61 4.76 -1.26 -5.14 118.16 116.91 3htp n LYS 568 Ca 0.07 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.49 3htp n LYS 568 Cb 0.49 -0.69 -0.02 0.00 -1.84 0.00 0.00 35.03 32.98 3htp n LYS 568 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3htp n GLU 569 N -2.14 -2.05 -4.30 1.97 1.02 -1.26 -5.09 120.64 108.79 3htp n GLU 569 Ca 0.00 1.82 -0.23 0.00 -0.02 0.00 0.00 57.16 58.73 3htp n GLU 569 Cb 0.26 -3.02 -0.12 0.00 -0.02 0.00 0.00 31.44 28.55 3htp n GLU 569 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3htp s PHE 570 N -0.48 1.79 0.43 -0.32 0.40 -1.26 -5.14 117.98 113.39 3htp s PHE 570 Ca -0.09 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 55.83 3htp s PHE 570 Cb 0.01 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.59 3htp s PHE 570 CO 0.38 0.25 0.61 0.54 0.70 0.00 0.00 175.22 177.70 3htp s ASN 571 N -2.18 5.78 0.00 1.36 2.20 -1.26 -4.93 114.94 115.92 3htp s ASN 571 Ca 0.10 0.04 0.00 0.00 -0.94 0.00 0.00 52.86 52.06 3htp s ASN 571 Cb -0.08 -1.28 0.00 0.00 -2.00 0.00 0.00 41.25 37.88 3htp s ASN 571 CO 0.05 -0.68 0.50 -0.46 -2.94 0.00 0.00 177.10 173.56 3htp n ASN 572 N -1.96 0.00 -0.12 3.54 2.04 -1.26 0.57 115.26 118.07 3htp n ASN 572 Ca 0.02 0.11 0.10 0.00 -0.44 0.00 0.00 54.58 54.37 3htp n ASN 572 Cb 0.58 -0.11 0.15 0.00 -2.53 0.00 0.00 39.78 37.87 3htp n ASN 572 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3htp n LEU 573 N -1.00 2.37 -1.09 -4.53 4.77 -1.26 -4.52 117.00 111.74 3htp n LEU 573 Ca 0.00 -3.15 0.05 0.00 -0.03 0.00 0.00 56.01 52.88 3htp n LEU 573 Cb 0.23 -0.44 0.10 0.00 -2.33 0.00 0.00 43.42 40.98 3htp n LEU 573 CO 0.00 0.77 0.19 -0.62 -1.33 0.00 0.00 177.39 176.40 3htp n GLU 574 N -1.41 0.67 -0.35 3.23 1.02 0.19 -4.86 120.64 119.14 3htp n GLU 574 Ca 0.16 -2.52 0.01 0.00 -0.02 0.00 0.00 57.16 54.79 3htp n GLU 574 Cb 0.64 -0.69 0.16 0.00 -0.02 0.00 0.00 31.44 31.53 3htp n GLU 574 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3htp h ARG 575 N 0.97 1.08 0.09 3.49 9.65 -1.79 -1.32 114.38 126.54 3htp h ARG 575 Ca -0.13 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.68 3htp h ARG 575 Cb 1.51 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 3htp h ARG 575 CO 0.06 0.71 -0.04 0.00 2.80 0.00 0.00 179.97 183.49 3htp h ARG 576 N 1.11 -0.12 0.00 0.20 3.08 -1.95 0.11 114.38 116.82 3htp h ARG 576 Ca 0.40 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.46 3htp h ARG 576 Cb 0.14 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3htp h ARG 576 CO -0.17 -0.05 0.00 -0.84 -1.07 0.00 0.00 179.97 177.84 3htp h ILE 577 N -0.15 0.00 -0.03 2.04 3.07 -1.92 -0.60 117.51 119.93 3htp h ILE 577 Ca -0.01 -0.36 -0.03 0.00 1.55 0.00 0.00 64.86 66.01 3htp h ILE 577 Cb 0.12 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 37.88 3htp h ILE 577 CO 0.02 0.00 -0.12 -0.08 -1.05 0.00 0.00 178.15 176.92 3htp h GLU 578 N 0.00 0.13 -0.28 0.16 4.81 -0.56 -1.08 114.58 117.75 3htp h GLU 578 Ca 0.00 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3htp h GLU 578 Cb 0.53 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 3htp h GLU 578 CO 0.00 0.75 0.09 -0.91 -0.73 0.00 0.00 179.01 178.22 3htp h ASN 579 N -0.47 0.36 -0.16 1.04 2.35 -0.40 0.22 115.58 118.53 3htp h ASN 579 Ca -0.01 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3htp h ASN 579 Cb 0.78 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 3htp h ASN 579 CO 0.02 0.35 0.02 0.25 -1.65 0.00 0.00 177.43 176.43 3htp h LEU 580 N 0.40 0.26 -0.66 1.61 6.46 -1.01 0.27 115.31 122.64 3htp h LEU 580 Ca 0.10 -0.27 0.02 0.00 -0.12 0.00 0.00 57.88 57.60 3htp h LEU 580 Cb 0.12 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 39.95 3htp h LEU 580 CO -0.01 0.47 0.43 -1.13 -0.62 0.00 0.00 178.44 177.58 3htp h ASN 581 N 0.05 0.72 -0.35 1.25 -1.24 -0.48 -0.70 115.58 114.83 3htp h ASN 581 Ca 0.05 -0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.09 3htp h ASN 581 Cb 0.32 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.16 3htp h ASN 581 CO 0.00 0.52 0.12 0.50 -1.29 0.00 0.00 177.43 177.28 3htp h LYS 582 N 0.86 0.26 -0.85 6.67 3.64 -0.14 -1.09 116.57 125.92 3htp h LYS 582 Ca 0.25 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.68 3htp h LYS 582 Cb -0.05 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.65 3htp h LYS 582 CO -0.07 0.17 0.53 -0.22 -2.27 0.00 0.00 179.45 177.59 3htp h LYS 583 N 0.27 0.94 0.09 1.90 3.64 0.34 0.45 116.57 124.19 3htp h LYS 583 Ca 0.16 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3htp h LYS 583 Cb 0.14 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3htp h LYS 583 CO -0.17 0.62 -0.04 0.28 -2.27 0.00 0.00 179.45 177.87 3htp h VAL 584 N 0.97 1.04 0.88 2.00 2.07 -0.49 0.33 116.25 123.05 3htp h VAL 584 Ca 0.37 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3htp h VAL 584 Cb 0.16 1.31 0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3htp h VAL 584 CO -0.17 0.11 -0.45 0.44 0.02 0.00 0.00 177.57 177.52 3htp h ASP 585 N -0.31 -1.09 -0.27 0.57 3.32 -0.79 0.18 116.42 118.04 3htp h ASP 585 Ca -0.01 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.16 3htp h ASP 585 Cb 0.26 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3htp h ASP 585 CO 0.02 -0.74 0.21 0.44 -1.72 0.00 0.00 179.24 177.45 3htp h ASP 586 N -1.22 0.00 0.22 6.45 3.32 -0.97 0.28 116.42 124.49 3htp h ASP 586 Ca -0.12 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3htp h ASP 586 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3htp h ASP 586 CO 0.18 0.00 -0.11 1.23 -1.72 0.00 0.00 179.24 178.82 3htp h GLY 587 N 0.00 -0.31 1.44 2.75 0.00 0.71 -1.33 103.07 106.33 3htp h GLY 587 Ca 0.13 0.11 -0.23 0.00 0.00 0.00 0.00 47.33 47.34 3htp h GLY 587 CO -0.00 -0.11 -0.93 0.74 0.00 0.00 0.00 176.54 176.24 3htp h PHE 588 N -0.45 0.75 0.00 5.60 0.05 -0.47 -2.78 116.94 119.64 3htp h PHE 588 Ca -0.03 -0.39 0.00 0.00 3.82 0.00 0.00 57.97 61.37 3htp h PHE 588 Cb 0.34 -0.09 0.00 0.00 2.00 0.00 0.00 35.95 38.20 3htp h PHE 588 CO -0.02 1.21 0.00 1.28 -0.18 0.00 0.00 178.31 180.60 3htp n LEU 589 N -3.80 0.02 -0.07 1.54 4.77 0.93 -1.44 117.00 118.96 3htp n LEU 589 Ca -0.08 0.51 -0.03 0.00 -0.03 0.00 0.00 56.01 56.38 3htp n LEU 589 Cb 0.83 -0.51 -0.15 0.00 -2.33 0.00 0.00 43.42 41.26 3htp n LEU 589 CO 0.52 -0.35 -1.00 0.47 -1.33 0.00 0.00 177.39 175.70 3htp n ASP 590 N -1.52 0.29 -0.03 -1.43 9.92 -0.51 -3.76 116.55 119.51 3htp n ASP 590 Ca 0.02 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.15 3htp n ASP 590 Cb 0.11 1.29 -0.11 0.00 -0.64 0.00 0.00 41.12 41.77 3htp n ASP 590 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3htp h VAL 591 N 0.00 1.47 0.00 2.53 2.07 -1.01 -2.89 116.25 118.41 3htp h VAL 591 Ca -0.35 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 65.58 3htp h VAL 591 Cb 1.77 2.50 -0.00 0.00 -1.52 0.00 0.00 31.29 34.04 3htp h VAL 591 CO 0.02 0.40 -0.16 -0.50 0.02 0.00 0.00 177.57 177.34 3htp h TRP 592 N -0.71 0.00 -0.08 1.57 4.06 -1.46 -1.34 115.95 117.99 3htp h TRP 592 Ca -0.00 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.84 3htp h TRP 592 Cb 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.83 3htp h TRP 592 CO 0.16 0.16 -0.37 1.15 -3.56 0.00 0.00 178.44 175.98 3htp h THR 593 N 0.00 1.41 -0.30 1.49 2.02 -1.65 0.49 112.91 116.37 3htp h THR 593 Ca -0.00 -1.74 -0.10 0.00 0.77 0.00 0.00 66.41 65.34 3htp h THR 593 Cb 0.46 2.27 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 3htp h THR 593 CO 0.02 0.51 -0.22 0.22 0.37 0.00 0.00 175.52 176.42 3htp h TYR 594 N -0.07 0.63 0.41 3.16 3.20 -1.28 -2.11 116.97 120.91 3htp h TYR 594 Ca -0.02 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 3htp h TYR 594 Cb 1.01 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.13 3htp h TYR 594 CO 0.12 0.74 -0.20 -0.91 -1.64 0.00 0.00 178.16 176.28 3htp h ASN 595 N 0.50 -0.47 -0.62 -2.11 2.35 -1.23 -1.77 115.58 112.24 3htp h ASN 595 Ca 0.08 0.02 0.13 0.00 -0.55 0.00 0.00 56.30 55.97 3htp h ASN 595 Cb 0.65 0.12 -0.10 0.00 0.05 0.00 0.00 38.32 39.04 3htp h ASN 595 CO 0.05 -0.07 -0.00 0.00 -1.65 0.00 0.00 177.43 175.75 3htp h ALA 596 N -1.22 0.60 0.39 -0.83 0.00 -0.97 1.07 119.26 118.30 3htp h ALA 596 Ca -0.06 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3htp h ALA 596 Cb 0.42 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3htp h ALA 596 CO 0.09 -0.39 -0.37 1.49 0.00 0.00 0.00 179.25 180.07 3htp h GLU 597 N 0.11 -0.75 -0.31 0.00 4.57 -1.45 -2.35 114.58 114.40 3htp h GLU 597 Ca 0.32 0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 58.38 3htp h GLU 597 Cb 0.52 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 3htp h GLU 597 CO -0.53 -0.50 -0.47 -0.07 -1.18 0.00 0.00 179.01 176.26 3htp h LEU 598 N -0.78 0.94 -0.79 1.64 3.38 -0.60 -2.32 115.31 116.79 3htp h LEU 598 Ca -0.03 -0.51 0.15 0.00 0.09 0.00 0.00 57.88 57.58 3htp h LEU 598 Cb 0.69 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 3htp h LEU 598 CO -0.05 1.27 0.33 0.25 0.09 0.00 0.00 178.44 180.34 3htp h LEU 599 N 0.64 0.32 0.21 1.67 5.85 0.12 0.25 115.31 124.38 3htp h LEU 599 Ca 0.03 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3htp h LEU 599 Cb 1.07 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3htp h LEU 599 CO 0.11 0.11 -0.10 0.58 -0.34 0.00 0.00 178.44 178.79 3htp h VAL 600 N 0.46 0.84 -0.52 1.05 2.07 -1.38 -0.43 116.25 118.34 3htp h VAL 600 Ca 0.44 -0.85 0.10 0.00 0.82 0.00 0.00 66.70 67.22 3htp h VAL 600 Cb 0.69 1.29 -0.10 0.00 -1.52 0.00 0.00 31.29 31.65 3htp h VAL 600 CO -0.42 0.17 -0.23 -0.07 0.02 0.00 0.00 177.57 177.05 3htp h LEU 601 N -0.75 -0.79 -0.49 2.57 3.38 -0.76 0.39 115.31 118.87 3htp h LEU 601 Ca -0.03 0.19 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3htp h LEU 601 Cb 0.50 0.43 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3htp h LEU 601 CO 0.05 -0.25 -0.08 -0.07 0.09 0.00 0.00 178.44 178.18 3htp h LEU 602 N -0.11 0.92 -0.57 1.67 3.38 -0.58 -2.72 115.31 117.30 3htp h LEU 602 Ca 0.24 -0.34 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 3htp h LEU 602 Cb 0.48 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3htp h LEU 602 CO -0.59 1.05 -0.55 -0.33 0.09 0.00 0.00 178.44 178.11 3htp h GLU 603 N 0.77 0.47 -0.36 1.13 4.39 -0.38 -2.50 114.58 118.10 3htp h GLU 603 Ca 0.13 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 3htp h GLU 603 Cb 0.62 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 3htp h GLU 603 CO 0.04 0.90 0.21 -0.91 -1.16 0.00 0.00 179.01 178.08 3htp h ASN 604 N 0.36 0.45 -0.29 1.42 2.35 -0.21 0.12 115.58 119.79 3htp h ASN 604 Ca 0.01 -0.08 0.06 0.00 -0.55 0.00 0.00 56.30 55.74 3htp h ASN 604 Cb 1.08 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 39.28 3htp h ASN 604 CO 0.10 0.40 -0.06 -0.08 -1.65 0.00 0.00 177.43 176.13 3htp h GLU 605 N 0.46 0.01 0.02 0.81 4.57 -1.40 -1.20 114.58 117.86 3htp h GLU 605 Ca 0.13 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.33 3htp h GLU 605 Cb 0.04 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.59 3htp h GLU 605 CO -0.02 0.01 -0.23 0.00 -1.18 0.00 0.00 179.01 177.59 3htp h ARG 606 N 0.01 -0.36 -0.49 1.92 2.47 -0.92 -1.27 114.38 115.75 3htp h ARG 606 Ca 0.14 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.95 3htp h ARG 606 Cb 0.21 0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 28.56 3htp h ARG 606 CO -0.29 -0.24 0.16 1.15 0.56 0.00 0.00 179.97 181.31 3htp h THR 607 N -0.37 0.82 0.01 2.04 2.02 -0.28 0.20 112.91 117.36 3htp h THR 607 Ca 0.05 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.13 3htp h THR 607 Cb 0.44 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3htp h THR 607 CO -0.19 0.06 -0.06 -0.07 0.37 0.00 0.00 175.52 175.64 3htp h LEU 608 N 0.33 -0.15 -1.11 2.58 3.38 -0.97 -1.62 115.31 117.75 3htp h LEU 608 Ca 0.23 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.33 3htp h LEU 608 Cb 0.25 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 3htp h LEU 608 CO -0.25 -0.08 0.61 0.44 0.09 0.00 0.00 178.44 179.25 3htp h ASP 609 N -0.10 0.88 -0.09 -0.43 3.32 -0.47 -0.84 116.42 118.69 3htp h ASP 609 Ca 0.02 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.13 3htp h ASP 609 Cb 0.13 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 3htp h ASP 609 CO -0.05 0.50 -0.13 0.15 -1.72 0.00 0.00 179.24 177.99 3htp h PHE 610 N 0.96 -0.34 0.17 4.55 3.57 0.28 0.28 116.94 126.40 3htp h PHE 610 Ca 0.45 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.96 3htp h PHE 610 Cb 0.42 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 3htp h PHE 610 CO -0.00 -0.20 -0.10 0.45 -2.23 0.00 0.00 178.31 176.23 3htp h HIS 611 N -0.18 -0.25 -0.76 0.41 3.86 -0.61 0.29 115.15 117.90 3htp h HIS 611 Ca 0.08 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.42 3htp h HIS 611 Cb 0.29 0.09 -0.09 0.00 1.06 0.00 0.00 27.41 28.76 3htp h HIS 611 CO -0.23 -0.15 0.34 0.22 0.86 0.00 0.00 177.93 178.96 3htp h ASP 612 N -0.25 0.36 -0.65 2.45 3.58 -0.79 0.16 116.42 121.28 3htp h ASP 612 Ca -0.02 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 3htp h ASP 612 Cb 0.21 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 3htp h ASP 612 CO 0.02 0.15 0.33 -1.28 -2.88 0.00 0.00 179.24 175.58 3htp h SER 613 N 0.50 0.83 -0.75 2.28 0.87 -0.03 -1.81 113.55 115.45 3htp h SER 613 Ca 0.41 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 3htp h SER 613 Cb 0.59 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 3htp h SER 613 CO -0.37 0.71 0.35 0.78 -0.53 0.00 0.00 176.83 177.77 3htp h ASN 614 N 0.89 0.99 -0.25 6.23 2.35 0.14 -0.63 115.58 125.30 3htp h ASN 614 Ca 0.22 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3htp h ASN 614 Cb 0.09 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3htp h ASN 614 CO -0.03 0.85 -0.01 0.58 -1.65 0.00 0.00 177.43 177.17 3htp h VAL 615 N 1.09 1.26 -0.32 2.81 2.07 -0.77 -2.02 116.25 120.37 3htp h VAL 615 Ca 0.26 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 3htp h VAL 615 Cb 0.13 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3htp h VAL 615 CO -0.03 0.30 -0.00 -0.09 0.02 0.00 0.00 177.57 177.76 3htp h ARG 616 N 0.23 0.49 0.00 1.57 2.43 -1.03 0.68 114.38 118.74 3htp h ARG 616 Ca 0.07 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 3htp h ARG 616 Cb 0.44 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3htp h ARG 616 CO 0.02 0.52 -0.54 -0.91 -1.51 0.00 0.00 179.97 177.54 3htp h ASN 617 N 0.47 0.00 -0.01 -3.80 2.35 -1.00 -0.23 115.58 113.35 3htp h ASN 617 Ca 0.10 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.71 3htp h ASN 617 Cb 0.31 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.69 3htp h ASN 617 CO 0.01 0.54 -0.56 0.25 -1.65 0.00 0.00 177.43 176.02 3htp h LEU 618 N 0.00 0.52 0.32 1.61 5.85 -0.59 -0.33 115.31 122.68 3htp h LEU 618 Ca -0.01 -0.74 -0.00 0.00 0.84 0.00 0.00 57.88 57.97 3htp h LEU 618 Cb 1.18 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3htp h LEU 618 CO 0.07 1.19 -0.28 0.22 -0.34 0.00 0.00 178.44 179.30 3htp h TYR 619 N -0.11 -0.75 -0.17 1.25 3.20 -0.84 -1.25 116.97 118.29 3htp h TYR 619 Ca -0.07 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.86 3htp h TYR 619 Cb 1.27 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.82 3htp h TYR 619 CO 0.14 -0.41 0.14 1.49 -1.64 0.00 0.00 178.16 177.88 3htp h GLU 620 N -0.62 0.00 -0.21 1.82 4.57 -1.06 -0.17 114.58 118.91 3htp h GLU 620 Ca -0.02 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3htp h GLU 620 Cb 0.55 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 3htp h GLU 620 CO -0.03 0.00 0.04 -0.22 -1.18 0.00 0.00 179.01 177.62 3htp h LYS 621 N 0.00 0.34 0.56 1.92 3.11 0.10 -2.25 116.57 120.35 3htp h LYS 621 Ca 0.08 -0.09 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 3htp h LYS 621 Cb 0.36 -0.04 0.01 0.00 -1.00 0.00 0.00 32.23 31.55 3htp h LYS 621 CO -0.00 0.48 -0.27 0.28 -2.81 0.00 0.00 179.45 177.13 3htp h VAL 622 N 0.15 0.00 -0.84 2.00 2.07 -0.61 -2.89 116.25 116.13 3htp h VAL 622 Ca 0.06 -0.35 0.24 0.00 0.82 0.00 0.00 66.70 67.48 3htp h VAL 622 Cb 0.30 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3htp h VAL 622 CO 0.00 0.00 1.11 0.50 0.02 0.00 0.00 177.57 179.20 3htp h LYS 623 N -1.10 0.00 0.17 1.57 3.64 -1.11 0.35 116.57 120.09 3htp h LYS 623 Ca -0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3htp h LYS 623 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3htp h LYS 623 CO 0.13 0.00 -0.08 1.03 -2.27 0.00 0.00 179.45 178.25 3htp h SER 624 N 0.00 -0.19 -0.33 4.20 0.87 -1.20 -2.83 113.55 114.07 3htp h SER 624 Ca 0.40 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 61.02 3htp h SER 624 Cb 2.62 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 64.55 3htp h SER 624 CO -0.00 0.01 -0.53 1.56 -0.53 0.00 0.00 176.83 177.34 3htp h GLN 625 N -0.52 -0.42 0.10 2.24 4.20 -0.16 -3.20 115.11 117.34 3htp h GLN 625 Ca -0.02 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3htp h GLN 625 Cb 0.18 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 3htp h GLN 625 CO 0.04 -0.28 -0.07 -0.07 -0.67 0.00 0.00 178.83 177.77 3htp h LEU 626 N -0.44 -0.19 0.00 1.46 3.38 -1.58 -3.42 115.31 114.52 3htp h LEU 626 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3htp h LEU 626 Cb 0.62 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3htp h LEU 626 CO -0.55 -0.11 0.00 -1.14 0.09 0.00 0.00 178.44 176.74 3htp n ARG 627 N -2.66 0.00 0.12 1.13 0.63 -1.07 -2.70 116.66 112.11 3htp n ARG 627 Ca -0.02 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.03 3htp n ARG 627 Cb 0.07 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.01 3htp n ARG 627 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 3htp h ASN 628 N 0.00 0.00 -0.01 6.15 -0.26 -1.89 -3.35 115.58 116.22 3htp h ASN 628 Ca 0.00 -0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.73 3htp h ASN 628 Cb 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3htp h ASN 628 CO 0.00 0.00 0.00 0.59 -1.06 0.00 0.00 177.43 176.97 3htp n ASN 629 N -2.73 2.21 -3.58 5.81 3.02 -1.10 -4.74 115.26 114.15 3htp n ASN 629 Ca 0.01 -2.01 -0.08 0.00 -0.03 0.00 0.00 54.58 52.47 3htp n ASN 629 Cb 0.54 -0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 39.17 3htp n ASN 629 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3htp s ALA 630 N -0.43 -1.97 -0.09 5.41 0.00 -1.26 -1.72 121.76 121.71 3htp s ALA 630 Ca 0.01 1.57 -0.01 0.00 0.00 0.00 0.00 51.96 53.53 3htp s ALA 630 Cb 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 3htp s ALA 630 CO 0.00 -0.39 -0.03 0.21 0.00 0.00 0.00 175.76 175.55 3htp s LYS 631 N -1.55 2.95 -0.32 0.00 2.20 -0.87 -4.78 119.74 117.37 3htp s LYS 631 Ca 0.03 -0.48 -0.24 0.00 -0.36 0.00 0.00 55.97 54.92 3htp s LYS 631 Cb -0.01 -2.72 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 3htp s LYS 631 CO -0.02 0.64 0.82 -1.21 -0.36 0.00 0.00 175.35 175.22 3htp s GLU 632 N -0.73 3.91 -0.61 4.03 2.02 -1.26 -1.63 118.70 124.43 3htp s GLU 632 Ca 0.11 0.56 -0.18 0.00 0.02 0.00 0.00 54.97 55.48 3htp s GLU 632 Cb -0.11 -3.75 0.12 0.00 0.10 0.00 0.00 34.13 30.48 3htp s GLU 632 CO 0.02 -0.75 0.66 0.42 0.02 0.00 0.00 175.26 175.63 3htp s ILE 633 N 3.08 5.00 0.00 -1.63 1.01 -1.01 -4.93 121.20 122.71 3htp s ILE 633 Ca 0.33 -1.29 0.00 0.00 0.00 0.00 0.00 60.65 59.70 3htp s ILE 633 Cb -0.14 -4.45 0.00 0.00 0.01 0.00 0.00 42.46 37.88 3htp s ILE 633 CO 0.14 -1.05 0.06 0.61 0.00 0.00 0.00 174.94 174.69 3htp n GLY 634 N 5.18 0.11 0.25 6.18 0.00 -1.26 -3.20 105.19 112.46 3htp n GLY 634 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3htp n GLY 634 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3htp n ASN 635 N 1.89 0.00 0.00 1.61 2.04 -1.25 -4.87 115.26 114.67 3htp n ASN 635 Ca 0.00 -1.44 0.00 0.00 -0.44 0.00 0.00 54.58 52.70 3htp n ASN 635 Cb 0.00 -0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.16 3htp n ASN 635 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3htp n GLY 636 N 0.00 0.75 3.43 4.83 0.00 -1.19 -4.66 105.19 108.34 3htp n GLY 636 Ca 0.00 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 3htp n GLY 636 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3htp s PHE 638 N -2.68 1.02 -0.37 0.00 0.40 -1.26 -2.40 117.98 112.70 3htp s PHE 638 Ca 0.27 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 3htp s PHE 638 Cb -0.03 -0.68 0.10 0.00 0.51 0.00 0.00 43.02 42.92 3htp s PHE 638 CO 0.12 -0.04 0.10 -2.00 0.70 0.00 0.00 175.22 174.10 3htp s GLU 639 N -0.15 1.65 0.10 0.44 2.12 -0.64 -4.91 118.70 117.31 3htp s GLU 639 Ca 0.02 -1.88 -0.36 0.00 0.36 0.00 0.00 54.97 53.12 3htp s GLU 639 Cb -0.06 -3.33 -0.16 0.00 0.26 0.00 0.00 34.13 30.84 3htp s GLU 639 CO -0.00 -0.99 1.41 1.19 -0.54 0.00 0.00 175.26 176.33 3htp n PHE 640 N 4.33 1.71 0.89 5.30 3.01 -1.26 -2.05 117.46 129.40 3htp n PHE 640 Ca 0.02 0.54 0.09 0.00 1.01 0.00 0.00 57.45 59.11 3htp n PHE 640 Cb 0.42 -2.39 0.46 0.00 -0.01 0.00 0.00 39.48 37.96 3htp n PHE 640 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3htp n TYR 641 N 2.81 0.00 -4.28 1.38 0.53 -0.70 -4.74 117.16 112.15 3htp n TYR 641 Ca 0.18 0.00 -0.14 0.00 -1.02 0.00 0.00 57.90 56.92 3htp n TYR 641 Cb 0.21 -0.22 -0.04 0.00 -1.03 0.00 0.00 39.34 38.27 3htp n TYR 641 CO 0.00 0.00 0.00 -2.39 -1.02 0.00 0.00 176.86 173.45 3htp n HIS 642 N -1.22 0.18 -3.23 -0.72 1.44 -1.26 -5.04 115.22 105.37 3htp n HIS 642 Ca 0.09 -1.33 -0.39 0.00 -2.01 0.00 0.00 57.72 54.08 3htp n HIS 642 Cb 0.12 -0.04 -0.06 0.00 0.12 0.00 0.00 29.99 30.14 3htp n HIS 642 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3htp s LYS 643 N -2.83 4.28 -0.35 -1.40 -0.14 -1.26 -5.03 119.74 113.00 3htp s LYS 643 Ca 0.08 0.72 0.00 0.00 -1.36 0.00 0.00 55.97 55.42 3htp s LYS 643 Cb 0.00 -3.32 0.11 0.00 -1.68 0.00 0.00 37.83 32.95 3htp s LYS 643 CO 0.06 0.44 0.15 0.00 -0.76 0.00 0.00 175.35 175.24 3htp n ASP 645 N 4.37 -0.96 -0.07 0.00 5.75 -1.26 -4.53 116.55 119.86 3htp n ASP 645 Ca 0.02 -1.23 0.08 0.00 -0.01 0.00 0.00 54.79 53.66 3htp n ASP 645 Cb 0.39 -0.85 0.45 0.00 -1.03 0.00 0.00 41.12 40.08 3htp n ASP 645 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3htp h ASP 646 N -1.98 0.45 -0.35 -1.12 3.32 -1.99 0.32 116.42 115.07 3htp h ASP 646 Ca -0.35 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.62 3htp h ASP 646 Cb 1.03 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 3htp h ASP 646 CO 0.24 0.29 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.62 3htp h GLU 647 N 0.51 0.68 -0.38 3.56 4.39 -1.99 0.46 114.58 121.81 3htp h GLU 647 Ca 0.24 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3htp h GLU 647 Cb 0.28 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 3htp h GLU 647 CO -0.07 0.85 0.24 0.00 -1.16 0.00 0.00 179.01 178.88 3htp h MET 649 N 0.50 0.71 -0.36 0.00 2.86 -0.20 -1.67 114.93 116.77 3htp h MET 649 Ca 0.14 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3htp h MET 649 Cb -0.02 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 3htp h MET 649 CO -0.03 0.47 0.23 1.49 1.06 0.00 0.00 176.91 180.13 3htp h GLU 650 N 0.73 0.45 -0.61 1.72 4.57 -0.52 -2.53 114.58 118.39 3htp h GLU 650 Ca 0.21 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.42 3htp h GLU 650 Cb -0.06 -0.10 -0.09 0.00 -0.16 0.00 0.00 28.75 28.34 3htp h GLU 650 CO -0.06 0.30 -0.56 1.03 -1.18 0.00 0.00 179.01 178.54 3htp h SER 651 N 0.46 -1.94 -0.32 1.04 0.87 0.20 0.11 113.55 113.97 3htp h SER 651 Ca 0.14 0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.97 3htp h SER 651 Cb -0.03 0.82 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 3htp h SER 651 CO -0.05 -0.34 0.20 1.62 -0.53 0.00 0.00 176.83 177.74 3htp h VAL 652 N -0.25 1.09 -0.05 2.23 3.04 -1.29 0.47 116.25 121.50 3htp h VAL 652 Ca 0.10 -0.20 -0.01 0.00 -1.01 0.00 0.00 66.70 65.59 3htp h VAL 652 Cb 0.52 0.62 -0.00 0.00 -2.01 0.00 0.00 31.29 30.42 3htp h VAL 652 CO -0.71 0.09 -0.01 0.11 -1.01 0.00 0.00 177.57 176.05 3htp h LYS 653 N 0.45 0.08 -0.97 4.17 1.57 -0.44 -2.75 116.57 118.67 3htp h LYS 653 Ca 0.12 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3htp h LYS 653 Cb -0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3htp h LYS 653 CO -0.02 0.41 0.05 0.27 -0.57 0.00 0.00 179.45 179.58 3htp n ASN 654 N -4.86 2.45 -1.33 0.86 0.23 -0.02 -4.86 115.26 107.72 3htp n ASN 654 Ca -0.07 -2.20 -0.16 0.00 -0.53 0.00 0.00 54.58 51.61 3htp n ASN 654 Cb 0.20 -0.54 -0.07 0.00 -2.08 0.00 0.00 39.78 37.29 3htp n ASN 654 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3htp n GLY 655 N 0.17 1.56 2.07 4.83 0.00 -1.02 -4.89 105.19 107.91 3htp n GLY 655 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 3htp n GLY 655 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3htp n THR 656 N -2.20 3.02 -2.23 2.61 -2.24 0.12 -4.97 114.28 108.39 3htp n THR 656 Ca -0.16 -3.47 -0.41 0.00 -2.27 0.00 0.00 64.05 57.74 3htp n THR 656 Cb 0.60 -1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 67.76 3htp n THR 656 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3htp s TYR 657 N -3.65 3.27 1.02 4.78 5.04 -1.23 -4.76 117.35 121.82 3htp s TYR 657 Ca 0.56 1.19 -0.14 0.00 -2.44 0.00 0.00 57.07 56.24 3htp s TYR 657 Cb 0.45 -3.60 0.20 0.00 0.35 0.00 0.00 41.96 39.36 3htp s TYR 657 CO 0.02 -1.90 1.14 0.34 -1.34 0.00 0.00 175.55 173.80 3htp s ASP 658 N 0.47 2.52 0.00 4.32 -1.08 -1.26 -4.83 116.67 116.81 3htp s ASP 658 Ca 0.58 0.86 0.00 0.00 -0.52 0.00 0.00 52.55 53.47 3htp s ASP 658 Cb -0.36 -1.32 0.00 0.00 -1.46 0.00 0.00 42.92 39.78 3htp s ASP 658 CO 0.37 -3.16 0.00 0.00 0.52 0.00 0.00 175.17 172.90 3htp n TYR 659 N -4.15 0.00 0.97 -5.34 0.18 -1.26 -4.97 117.16 102.60 3htp n TYR 659 Ca 0.09 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.98 3htp n TYR 659 Cb 0.59 0.00 0.10 0.00 -0.38 0.00 0.00 39.34 39.65 3htp n TYR 659 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43