#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3htt h LEU 502 N 0.00 0.11 -3.02 0.99 5.85 -1.94 -3.21 115.31 114.08 3htt h LEU 502 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3htt h LEU 502 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3htt h LEU 502 CO 0.00 0.71 0.00 0.49 -0.34 0.00 0.00 178.44 179.30 3htt n PHE 503 N -3.81 1.03 0.00 1.25 3.01 -1.26 -5.00 117.46 112.68 3htt n PHE 503 Ca -0.02 -0.60 0.00 0.00 1.01 0.00 0.00 57.45 57.84 3htt n PHE 503 Cb 0.63 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 3htt n PHE 503 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3htt n GLY 504 N 0.79 1.95 0.00 1.37 0.00 -1.21 -4.84 105.19 103.25 3htt n GLY 504 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3htt n GLY 504 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3htt n ALA 505 N 0.21 -0.34 -1.79 4.61 0.00 -1.26 -1.05 120.51 120.88 3htt n ALA 505 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3htt n ALA 505 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3htt n ALA 505 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3htt s MET 506 N -2.35 4.16 -1.01 0.00 -1.94 -1.26 -1.68 119.30 115.21 3htt s MET 506 Ca 0.00 2.50 -0.08 0.00 -1.71 0.00 0.00 55.69 56.40 3htt s MET 506 Cb 0.00 -3.02 0.07 0.00 2.01 0.00 0.00 34.83 33.89 3htt s MET 506 CO 0.00 -0.52 0.31 0.00 -0.01 0.00 0.00 175.02 174.80 3htt n ALA 507 N 1.40 -1.03 -2.19 3.03 0.00 -1.16 -2.60 120.51 117.96 3htt n ALA 507 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3htt n ALA 507 Cb 0.39 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3htt n ALA 507 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3htt n GLY 508 N -0.93 2.71 0.00 0.00 0.00 -0.68 -4.74 105.19 101.55 3htt n GLY 508 Ca -0.01 -0.27 0.14 0.00 0.00 0.00 0.00 46.02 45.88 3htt n GLY 508 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3htt n PHE 509 N 0.00 0.00 -3.60 1.61 1.16 -0.22 -3.36 117.46 113.05 3htt n PHE 509 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.31 3htt n PHE 509 Cb 0.00 -0.37 -0.10 0.00 -1.61 0.00 0.00 39.48 37.40 3htt n PHE 509 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 3htt n ILE 510 N -1.37 0.80 0.16 1.97 5.41 -0.91 -3.57 119.36 121.85 3htt n ILE 510 Ca 0.11 -4.48 0.05 0.00 1.00 0.00 0.00 62.75 59.43 3htt n ILE 510 Cb 0.27 -2.01 0.24 0.00 -0.71 0.00 0.00 39.64 37.44 3htt n ILE 510 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 3htt n GLU 511 N 1.90 0.05 -4.25 0.38 0.28 -1.21 -3.01 120.64 114.78 3htt n GLU 511 Ca 0.25 0.48 -0.14 0.00 -0.16 0.00 0.00 57.16 57.59 3htt n GLU 511 Cb 0.41 -1.65 -0.10 0.00 1.43 0.00 0.00 31.44 31.54 3htt n GLU 511 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 3htt s GLY 512 N -3.18 1.18 0.20 -1.84 0.00 -1.26 -4.40 107.32 98.02 3htt s GLY 512 Ca 0.01 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.17 3htt s GLY 512 CO 0.13 -1.57 0.38 -0.32 0.00 0.00 0.00 173.10 171.73 3htt s GLY 513 N -3.18 1.74 -0.65 0.20 0.00 -1.26 -4.94 107.32 99.23 3htt s GLY 513 Ca 0.21 -0.87 -0.16 0.00 0.00 0.00 0.00 44.72 43.90 3htt s GLY 513 CO 0.03 -0.84 0.63 -0.98 0.00 0.00 0.00 173.10 171.94 3htt s TRP 514 N -1.88 3.38 0.57 1.90 0.51 -1.26 -4.87 118.94 117.30 3htt s TRP 514 Ca 0.38 -1.48 0.30 0.00 -2.12 0.00 0.00 56.10 53.18 3htt s TRP 514 Cb -0.11 -3.84 1.82 0.00 -0.81 0.00 0.00 33.47 30.52 3htt s TRP 514 CO 0.29 -1.05 2.24 1.15 -0.51 0.00 0.00 176.95 179.07 3htt h THR 515 N 5.54 0.50 0.00 2.01 2.02 -2.03 -1.75 112.91 119.19 3htt h THR 515 Ca -0.16 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3htt h THR 515 Cb 1.08 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3htt h THR 515 CO 0.96 0.02 0.00 1.23 0.37 0.00 0.00 175.52 178.09 3htt h GLY 516 N 0.12 0.00 -7.17 2.16 0.00 -2.04 -3.41 103.07 92.73 3htt h GLY 516 Ca -0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 3htt h GLY 516 CO 0.00 0.00 0.33 -0.29 0.00 0.00 0.00 176.54 176.58 3htt s MET 517 N -3.20 3.21 -0.17 4.80 0.00 -0.66 -4.83 119.30 118.46 3htt s MET 517 Ca 0.08 -0.62 0.17 0.00 0.00 0.00 0.00 55.69 55.32 3htt s MET 517 Cb 0.09 -4.10 0.44 0.00 0.00 0.00 0.00 34.83 31.26 3htt s MET 517 CO 0.62 -1.41 1.32 0.44 0.00 0.00 0.00 175.02 175.99 3htt n ILE 518 N 5.90 2.16 -1.62 10.11 -5.35 -1.26 -4.60 119.36 124.70 3htt n ILE 518 Ca -0.03 -2.12 0.06 0.00 -0.27 0.00 0.00 62.75 60.39 3htt n ILE 518 Cb 0.46 -0.25 0.09 0.00 -1.74 0.00 0.00 39.64 38.20 3htt n ILE 518 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3htt n ASP 519 N -0.92 1.36 0.00 7.28 3.85 -1.26 -5.09 116.55 121.77 3htt n ASP 519 Ca 0.20 -2.76 0.00 0.00 -0.71 0.00 0.00 54.79 51.52 3htt n ASP 519 Cb 0.80 -0.36 0.00 0.00 -1.35 0.00 0.00 41.12 40.21 3htt n ASP 519 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3htt n GLY 520 N -0.71 0.18 0.14 6.12 0.00 -1.26 -4.72 105.19 104.94 3htt n GLY 520 Ca 0.10 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 3htt n GLY 520 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3htt h TRP 521 N 0.00 0.53 -4.39 1.61 6.55 -1.91 -3.47 115.95 114.86 3htt h TRP 521 Ca 0.00 -0.39 -0.61 0.00 0.95 0.00 0.00 58.89 58.85 3htt h TRP 521 Cb 0.00 -0.02 -0.29 0.00 -0.86 0.00 0.00 29.16 27.99 3htt h TRP 521 CO 0.00 1.77 -0.85 0.71 -1.05 0.00 0.00 178.44 179.01 3htt s TYR 522 N -2.56 1.87 0.00 0.49 2.02 -1.26 -5.06 117.35 112.85 3htt s TYR 522 Ca -0.21 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.13 3htt s TYR 522 Cb 0.06 -1.19 0.00 0.00 -0.40 0.00 0.00 41.96 40.43 3htt s TYR 522 CO 0.78 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 175.16 3htt n GLY 523 N 2.44 1.77 3.69 0.71 0.00 -1.26 0.39 105.19 112.93 3htt n GLY 523 Ca -0.16 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 3htt n GLY 523 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3htt s TYR 524 N -2.22 1.79 -0.29 1.61 1.51 0.13 -4.82 117.35 115.06 3htt s TYR 524 Ca 0.00 -1.12 -0.00 0.00 -1.01 0.00 0.00 57.07 54.94 3htt s TYR 524 Cb 0.00 -1.43 0.18 0.00 -0.11 0.00 0.00 41.96 40.60 3htt s TYR 524 CO 0.00 0.00 0.55 -1.58 -1.11 0.00 0.00 175.55 173.41 3htt s HIS 525 N -3.00 -1.46 0.45 2.71 2.46 -1.26 -2.11 115.29 113.08 3htt s HIS 525 Ca 0.10 1.38 0.05 0.00 0.47 0.00 0.00 55.06 57.06 3htt s HIS 525 Cb 0.01 0.39 0.01 0.00 -0.13 0.00 0.00 32.58 32.86 3htt s HIS 525 CO 0.06 -0.89 0.63 -3.38 -2.47 0.00 0.00 174.74 168.70 3htt s HIS 526 N 2.78 2.91 -0.28 3.88 -3.43 -0.99 -4.96 115.29 115.20 3htt s HIS 526 Ca 0.17 -0.18 0.01 0.00 -0.80 0.00 0.00 55.06 54.26 3htt s HIS 526 Cb -0.14 -2.44 0.17 0.00 -1.43 0.00 0.00 32.58 28.74 3htt s HIS 526 CO -0.21 -0.50 0.51 -1.14 -2.00 0.00 0.00 174.74 171.40 3htt s GLN 527 N -4.48 0.49 0.33 -0.38 2.00 -1.26 -3.18 119.66 113.17 3htt s GLN 527 Ca 0.54 0.65 0.07 0.00 -2.00 0.00 0.00 55.36 54.62 3htt s GLN 527 Cb -0.10 0.10 -0.03 0.00 0.80 0.00 0.00 33.01 33.79 3htt s GLN 527 CO 0.35 -0.79 0.25 0.27 -0.50 0.00 0.00 175.29 174.87 3htt n ASN 528 N 5.40 -0.36 0.28 6.67 0.23 -0.83 -5.03 115.26 121.60 3htt n ASN 528 Ca -0.00 -3.09 0.18 0.00 -0.53 0.00 0.00 54.58 51.14 3htt n ASN 528 Cb 0.51 1.49 0.96 0.00 -2.08 0.00 0.00 39.78 40.67 3htt n ASN 528 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3htt h GLU 529 N 0.00 0.00 0.00 -3.83 3.07 -2.00 -2.63 114.58 109.18 3htt h GLU 529 Ca -0.24 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.39 3htt h GLU 529 Cb 1.14 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.01 3htt h GLU 529 CO 0.35 0.00 -1.56 0.94 -1.40 0.00 0.00 179.01 177.34 3htt n GLN 530 N -2.76 0.63 -3.74 2.33 -0.06 -1.26 -5.07 117.38 107.44 3htt n GLN 530 Ca -0.02 0.27 0.00 0.00 -2.00 0.00 0.00 57.00 55.24 3htt n GLN 530 Cb 0.09 -1.80 0.00 0.00 -4.06 0.00 0.00 30.24 24.47 3htt n GLN 530 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3htt n GLY 531 N 1.48 -0.74 3.71 1.69 0.00 -0.99 -5.16 105.19 105.18 3htt n GLY 531 Ca -0.13 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 3htt n GLY 531 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3htt s SER 532 N -4.00 -0.07 0.00 1.61 1.04 -1.26 -1.97 113.70 109.05 3htt s SER 532 Ca 0.00 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.55 3htt s SER 532 Cb 0.00 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.80 3htt s SER 532 CO 0.00 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.52 3htt n GLY 533 N -0.45 1.15 3.86 7.32 0.00 -1.19 -5.00 105.19 110.88 3htt n GLY 533 Ca -0.03 -1.24 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 3htt n GLY 533 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3htt s TYR 534 N -1.96 3.24 -0.22 1.61 1.51 -1.26 -2.35 117.35 117.92 3htt s TYR 534 Ca 0.00 -0.03 -0.08 0.00 -1.01 0.00 0.00 57.07 55.94 3htt s TYR 534 Cb 0.00 -1.50 0.09 0.00 -0.11 0.00 0.00 41.96 40.44 3htt s TYR 534 CO 0.00 0.50 0.48 0.00 -1.11 0.00 0.00 175.55 175.42 3htt s ALA 535 N -1.94 -1.35 0.22 3.71 0.00 -0.90 -4.97 121.76 116.53 3htt s ALA 535 Ca 0.33 1.72 -0.30 0.00 0.00 0.00 0.00 51.96 53.71 3htt s ALA 535 Cb -0.09 -1.36 -0.08 0.00 0.00 0.00 0.00 23.12 21.59 3htt s ALA 535 CO 0.26 -0.69 1.02 0.00 0.00 0.00 0.00 175.76 176.34 3htt s ALA 536 N 2.43 3.35 -0.49 0.00 0.00 -1.26 0.19 121.76 125.97 3htt s ALA 536 Ca -0.04 0.73 -0.28 0.00 0.00 0.00 0.00 51.96 52.36 3htt s ALA 536 Cb -0.11 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.74 3htt s ALA 536 CO -0.14 -0.01 1.40 0.34 0.00 0.00 0.00 175.76 177.35 3htt s ASP 537 N -0.71 6.23 0.16 0.00 -1.08 0.16 -4.88 116.67 116.55 3htt s ASP 537 Ca 0.44 0.52 -0.14 0.00 -0.52 0.00 0.00 52.55 52.86 3htt s ASP 537 Cb -0.28 -2.54 0.04 0.00 -1.46 0.00 0.00 42.92 38.68 3htt s ASP 537 CO 0.35 -1.58 1.75 -0.61 0.52 0.00 0.00 175.17 175.60 3htt h GLN 538 N 10.87 0.71 0.08 4.34 5.75 -1.93 -2.67 115.11 132.26 3htt h GLN 538 Ca -0.27 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.13 3htt h GLN 538 Cb 1.10 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.51 3htt h GLN 538 CO 1.14 0.57 -0.04 0.87 -2.65 0.00 0.00 178.83 178.72 3htt h LYS 539 N 0.66 -0.10 0.00 1.69 1.79 -1.97 -0.50 116.57 118.14 3htt h LYS 539 Ca 0.17 0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.61 3htt h LYS 539 Cb 0.09 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 3htt h LYS 539 CO -0.02 -0.01 -0.18 0.66 -1.08 0.00 0.00 179.45 178.82 3htt h SER 540 N -0.17 0.00 0.03 0.86 4.64 -1.95 -2.04 113.55 114.92 3htt h SER 540 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3htt h SER 540 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3htt h SER 540 CO 0.02 0.18 -0.02 0.74 -0.87 0.00 0.00 176.83 176.88 3htt h THR 541 N 0.00 1.37 0.03 2.95 2.02 -1.21 -2.50 112.91 115.56 3htt h THR 541 Ca -0.00 -1.73 0.02 0.00 0.77 0.00 0.00 66.41 65.48 3htt h THR 541 Cb 0.58 2.44 -0.03 0.00 -1.74 0.00 0.00 68.15 69.40 3htt h THR 541 CO 0.02 0.41 -0.20 1.56 0.37 0.00 0.00 175.52 177.69 3htt h GLN 542 N -0.86 -0.32 -1.00 6.66 1.08 -1.04 0.99 115.11 120.62 3htt h GLN 542 Ca -0.00 0.02 0.15 0.00 -1.45 0.00 0.00 58.65 57.37 3htt h GLN 542 Cb 0.71 0.07 -0.09 0.00 -0.05 0.00 0.00 27.48 28.12 3htt h GLN 542 CO 0.01 -0.21 0.62 -0.91 -0.95 0.00 0.00 178.83 177.39 3htt h ASN 543 N -0.33 0.86 -0.23 1.46 4.21 -1.49 0.34 115.58 120.41 3htt h ASN 543 Ca 0.05 0.07 -0.12 0.00 1.21 0.00 0.00 56.30 57.51 3htt h ASN 543 Cb 0.39 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 3htt h ASN 543 CO -0.16 0.40 -0.28 0.00 -1.29 0.00 0.00 177.43 176.10 3htt h ALA 544 N 1.58 0.86 0.02 -0.83 0.00 -0.79 -1.65 119.26 118.46 3htt h ALA 544 Ca 0.53 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3htt h ALA 544 Cb 0.66 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3htt h ALA 544 CO -0.31 0.63 -0.01 0.82 0.00 0.00 0.00 179.25 180.38 3htt h ILE 545 N 0.62 1.26 -0.38 0.00 2.04 0.13 -1.72 117.51 119.46 3htt h ILE 545 Ca 0.08 -0.89 0.08 0.00 1.00 0.00 0.00 64.86 65.13 3htt h ILE 545 Cb 0.79 1.86 -0.08 0.00 -0.74 0.00 0.00 36.82 38.65 3htt h ILE 545 CO 0.07 0.23 -0.14 0.44 0.00 0.00 0.00 178.15 178.74 3htt h ASP 546 N -0.42 -0.50 0.34 1.72 3.32 -0.36 0.37 116.42 120.89 3htt h ASP 546 Ca -0.00 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3htt h ASP 546 Cb 0.40 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3htt h ASP 546 CO 0.01 -0.18 -0.25 1.23 -1.72 0.00 0.00 179.24 178.32 3htt h GLY 547 N -0.07 -0.62 0.84 2.75 0.00 -1.26 0.14 103.07 104.86 3htt h GLY 547 Ca 0.19 0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.84 3htt h GLY 547 CO -0.43 -0.24 0.38 -2.22 0.00 0.00 0.00 176.54 174.02 3htt h ILE 548 N -0.59 1.06 -0.48 2.60 1.08 -0.97 0.37 117.51 120.57 3htt h ILE 548 Ca -0.03 -0.25 0.06 0.00 -0.39 0.00 0.00 64.86 64.25 3htt h ILE 548 Cb 0.51 0.26 -0.05 0.00 -3.07 0.00 0.00 36.82 34.47 3htt h ILE 548 CO -0.00 0.13 0.18 0.74 -0.69 0.00 0.00 178.15 178.51 3htt h THR 549 N 0.73 0.86 -0.70 -0.27 2.02 0.01 0.13 112.91 115.69 3htt h THR 549 Ca 0.26 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 67.24 3htt h THR 549 Cb 0.05 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 3htt h THR 549 CO -0.12 0.07 0.17 -1.13 0.37 0.00 0.00 175.52 174.89 3htt h ASN 550 N 0.36 1.06 -0.66 4.18 -0.73 0.21 -1.60 115.58 118.41 3htt h ASN 550 Ca 0.23 -0.22 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 3htt h ASN 550 Cb 0.22 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.50 3htt h ASN 550 CO -0.22 1.01 0.29 0.50 -0.37 0.00 0.00 177.43 178.65 3htt h LYS 551 N 1.06 0.97 -0.55 6.67 3.64 0.93 -1.31 116.57 127.98 3htt h LYS 551 Ca 0.22 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3htt h LYS 551 Cb 0.36 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3htt h LYS 551 CO 0.00 0.79 0.03 0.28 -2.27 0.00 0.00 179.45 178.28 3htt h VAL 552 N 0.92 1.26 0.24 2.00 2.07 -0.51 -2.58 116.25 119.65 3htt h VAL 552 Ca 0.22 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3htt h VAL 552 Cb 0.16 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3htt h VAL 552 CO -0.02 0.38 -0.11 0.78 0.02 0.00 0.00 177.57 178.61 3htt h ASN 553 N 0.83 -0.27 -0.56 0.57 -0.26 -1.06 -2.59 115.58 112.24 3htt h ASN 553 Ca 0.16 -0.00 0.07 0.00 -0.56 0.00 0.00 56.30 55.97 3htt h ASN 553 Cb 0.49 0.07 -0.10 0.00 -1.06 0.00 0.00 38.32 37.72 3htt h ASN 553 CO 0.02 -0.18 -0.50 0.28 -1.06 0.00 0.00 177.43 175.99 3htt h SER 554 N -0.33 -1.72 -0.37 5.81 0.02 -1.11 1.85 113.55 117.70 3htt h SER 554 Ca -0.03 0.26 0.11 0.00 -0.84 0.00 0.00 61.79 61.28 3htt h SER 554 Cb 0.25 0.75 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 3htt h SER 554 CO 0.05 -0.35 0.35 0.40 -1.14 0.00 0.00 176.83 176.14 3htt h ILE 555 N -0.27 0.49 0.00 3.27 2.04 -1.37 0.56 117.51 122.23 3htt h ILE 555 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3htt h ILE 555 Cb 0.56 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3htt h ILE 555 CO -0.68 0.00 -0.61 -0.38 0.00 0.00 0.00 178.15 176.48 3htt n ILE 556 N -3.90 1.23 -0.27 -0.67 5.41 0.10 -4.47 119.36 116.80 3htt n ILE 556 Ca 0.06 0.23 0.25 0.00 1.00 0.00 0.00 62.75 64.30 3htt n ILE 556 Cb 0.52 -2.24 0.60 0.00 -0.71 0.00 0.00 39.64 37.81 3htt n ILE 556 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3htt h GLU 557 N -0.85 0.23 0.00 0.38 4.39 0.27 -0.67 114.58 118.34 3htt h GLU 557 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3htt h GLU 557 Cb 0.61 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3htt h GLU 557 CO 0.00 0.16 0.00 1.63 -1.16 0.00 0.00 179.01 179.64 3htt n LYS 558 N -4.44 0.77 -3.01 2.33 4.76 0.18 -4.64 118.16 114.11 3htt n LYS 558 Ca 0.22 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.23 3htt n LYS 558 Cb 0.92 -1.44 -0.05 0.00 -1.84 0.00 0.00 35.03 32.62 3htt n LYS 558 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3htt s MET 559 N -2.00 3.13 0.23 1.97 1.75 -0.26 -5.03 119.30 119.09 3htt s MET 559 Ca 0.32 -0.90 -0.22 0.00 -1.25 0.00 0.00 55.69 53.65 3htt s MET 559 Cb 0.15 -4.18 -0.09 0.00 2.84 0.00 0.00 34.83 33.56 3htt s MET 559 CO 0.25 -1.52 0.78 1.21 -0.65 0.00 0.00 175.02 175.09 3htt s ASN 560 N 3.26 7.17 -0.20 1.11 3.04 -1.26 -5.07 114.94 122.98 3htt s ASN 560 Ca 0.18 1.54 -0.15 0.00 0.04 0.00 0.00 52.86 54.47 3htt s ASN 560 Cb -0.19 -2.46 0.06 0.00 -1.54 0.00 0.00 41.25 37.11 3htt s ASN 560 CO 0.11 0.04 0.52 0.42 -3.04 0.00 0.00 177.10 175.15 3htt s THR 561 N -1.49 -0.01 0.31 -5.21 -4.23 -1.26 -5.17 115.64 98.59 3htt s THR 561 Ca 0.43 0.03 0.08 0.00 -1.18 0.00 0.00 61.69 61.05 3htt s THR 561 Cb -0.18 -0.74 -0.04 0.00 1.34 0.00 0.00 72.50 72.88 3htt s THR 561 CO 0.22 0.01 0.12 0.00 -0.54 0.00 0.00 174.62 174.43 3htt s GLN 562 N 0.80 2.45 0.27 3.99 0.00 -1.26 -5.06 119.66 120.84 3htt s GLN 562 Ca -0.04 -1.43 -0.31 0.00 -0.00 0.00 0.00 55.36 53.58 3htt s GLN 562 Cb -0.05 -2.24 -0.12 0.00 0.00 0.00 0.00 33.01 30.60 3htt s GLN 562 CO -0.06 0.21 1.58 0.34 0.00 0.00 0.00 175.29 177.36 3htt n PHE 563 N -1.10 2.71 -3.56 9.60 7.35 -1.26 -4.97 117.46 126.23 3htt n PHE 563 Ca -0.04 0.26 -0.17 0.00 -0.76 0.00 0.00 57.45 56.74 3htt n PHE 563 Cb 0.60 -2.58 -0.06 0.00 0.35 0.00 0.00 39.48 37.79 3htt n PHE 563 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3htt s THR 564 N 0.15 0.01 -0.25 -2.13 2.01 -1.26 -5.12 115.64 109.06 3htt s THR 564 Ca 0.66 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.58 3htt s THR 564 Cb -0.53 -0.93 0.06 0.00 0.01 0.00 0.00 72.50 71.11 3htt s THR 564 CO 0.47 -0.06 -0.08 0.00 -0.69 0.00 0.00 174.62 174.26 3htt s ALA 565 N -1.43 2.22 0.11 7.40 0.00 -1.26 -5.02 121.76 123.77 3htt s ALA 565 Ca -0.10 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.18 3htt s ALA 565 Cb -0.01 -1.50 -0.06 0.00 0.00 0.00 0.00 23.12 21.55 3htt s ALA 565 CO 0.07 -1.19 1.48 0.28 0.00 0.00 0.00 175.76 176.39 3htt h VAL 566 N 6.71 1.29 -3.51 0.00 2.07 -2.02 -3.46 116.25 117.33 3htt h VAL 566 Ca -0.18 -1.27 -0.55 0.00 0.82 0.00 0.00 66.70 65.52 3htt h VAL 566 Cb 1.06 1.42 0.19 0.00 -1.52 0.00 0.00 31.29 32.44 3htt h VAL 566 CO 0.43 0.41 -0.24 0.61 0.02 0.00 0.00 177.57 178.80 3htt n GLY 567 N -0.04 -1.22 1.39 2.17 0.00 -1.26 -5.01 105.19 101.21 3htt n GLY 567 Ca -0.03 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3htt n GLY 567 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3htt n LYS 568 N -1.55 0.00 -1.86 1.61 4.76 -1.26 -5.15 118.16 114.72 3htt n LYS 568 Ca 0.10 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.52 3htt n LYS 568 Cb 0.51 -0.26 -0.02 0.00 -1.84 0.00 0.00 35.03 33.42 3htt n LYS 568 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3htt n GLU 569 N -2.58 -1.94 -4.60 1.97 1.02 -1.26 -5.09 120.64 108.16 3htt n GLU 569 Ca 0.00 1.74 -0.22 0.00 -0.02 0.00 0.00 57.16 58.66 3htt n GLU 569 Cb 0.19 -2.57 -0.15 0.00 -0.02 0.00 0.00 31.44 28.88 3htt n GLU 569 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3htt s PHE 570 N -0.27 1.22 0.85 -0.32 0.40 -1.26 -5.13 117.98 113.48 3htt s PHE 570 Ca -0.10 -0.26 -0.12 0.00 -0.60 0.00 0.00 56.93 55.85 3htt s PHE 570 Cb 0.01 -0.81 0.11 0.00 0.51 0.00 0.00 43.02 42.83 3htt s PHE 570 CO 0.26 -0.06 1.16 0.54 0.70 0.00 0.00 175.22 177.82 3htt s ASN 571 N -0.17 4.07 0.00 1.36 2.20 -1.26 -4.87 114.94 116.27 3htt s ASN 571 Ca 0.02 0.85 0.00 0.00 -0.94 0.00 0.00 52.86 52.79 3htt s ASN 571 Cb -0.07 -1.37 0.00 0.00 -2.00 0.00 0.00 41.25 37.81 3htt s ASN 571 CO 0.00 -2.19 0.58 -0.46 -2.94 0.00 0.00 177.10 172.09 3htt n ASN 572 N -3.51 0.00 -0.52 3.54 2.04 -1.26 -0.48 115.26 115.07 3htt n ASN 572 Ca 0.07 0.16 0.06 0.00 -0.44 0.00 0.00 54.58 54.44 3htt n ASN 572 Cb 0.60 -0.16 0.19 0.00 -2.53 0.00 0.00 39.78 37.88 3htt n ASN 572 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3htt n LEU 573 N -1.08 2.95 -2.28 -4.53 4.77 -1.26 -4.54 117.00 111.03 3htt n LEU 573 Ca 0.00 -3.44 -0.03 0.00 -0.03 0.00 0.00 56.01 52.51 3htt n LEU 573 Cb 0.07 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 40.70 3htt n LEU 573 CO 0.00 1.00 0.06 -0.62 -1.33 0.00 0.00 177.39 176.51 3htt n GLU 574 N -1.16 1.73 -0.18 3.23 1.02 0.37 -4.86 120.64 120.79 3htt n GLU 574 Ca 0.20 -3.32 -0.08 0.00 -0.02 0.00 0.00 57.16 53.94 3htt n GLU 574 Cb 0.75 -1.42 0.01 0.00 -0.02 0.00 0.00 31.44 30.77 3htt n GLU 574 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3htt h ARG 575 N 2.11 0.76 -0.08 3.49 9.65 -1.80 -0.85 114.38 127.66 3htt h ARG 575 Ca -0.05 -0.14 0.04 0.00 -1.10 0.00 0.00 59.98 58.73 3htt h ARG 575 Cb 1.43 -0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 29.83 3htt h ARG 575 CO 0.26 0.68 -0.31 0.00 2.80 0.00 0.00 179.97 183.39 3htt h ARG 576 N 0.68 -0.40 0.00 0.20 3.08 -1.96 0.13 114.38 116.11 3htt h ARG 576 Ca 0.17 0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 3htt h ARG 576 Cb 0.20 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3htt h ARG 576 CO -0.01 -0.27 -0.40 -0.84 -1.07 0.00 0.00 179.97 177.38 3htt h ILE 577 N -0.41 0.78 -0.69 2.04 3.07 -1.95 -0.76 117.51 119.59 3htt h ILE 577 Ca 0.08 -1.79 -0.07 0.00 1.55 0.00 0.00 64.86 64.64 3htt h ILE 577 Cb 0.54 2.16 -0.03 0.00 -0.27 0.00 0.00 36.82 39.22 3htt h ILE 577 CO -0.32 0.39 0.17 -0.08 -1.05 0.00 0.00 178.15 177.26 3htt h GLU 578 N 0.00 1.10 -0.13 0.16 4.81 -0.60 0.26 114.58 120.18 3htt h GLU 578 Ca -0.00 -0.26 -0.16 0.00 -0.13 0.00 0.00 59.36 58.81 3htt h GLU 578 Cb 1.12 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3htt h GLU 578 CO 0.05 0.97 -0.59 -0.91 -0.73 0.00 0.00 179.01 177.80 3htt h ASN 579 N 1.04 0.48 -0.46 1.04 2.35 -0.53 -0.63 115.58 118.88 3htt h ASN 579 Ca 0.22 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3htt h ASN 579 Cb 0.37 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3htt h ASN 579 CO 0.00 0.96 0.21 0.25 -1.65 0.00 0.00 177.43 177.21 3htt h LEU 580 N 0.32 0.60 -1.33 1.61 6.46 -0.40 0.29 115.31 122.86 3htt h LEU 580 Ca -0.00 -0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.58 3htt h LEU 580 Cb 1.12 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.88 3htt h LEU 580 CO 0.10 0.57 0.01 -1.13 -0.62 0.00 0.00 178.44 177.37 3htt h ASN 581 N 0.59 0.43 -0.25 1.25 -1.24 -0.32 -1.68 115.58 114.36 3htt h ASN 581 Ca 0.16 -0.07 -0.05 0.00 0.71 0.00 0.00 56.30 57.04 3htt h ASN 581 Cb 0.13 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 3htt h ASN 581 CO -0.02 0.49 -0.05 0.50 -1.29 0.00 0.00 177.43 177.06 3htt h LYS 582 N 0.45 0.47 -0.84 6.67 3.64 0.07 -1.38 116.57 125.65 3htt h LYS 582 Ca 0.10 -0.18 0.06 0.00 -1.27 0.00 0.00 60.65 59.36 3htt h LYS 582 Cb 0.28 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 3htt h LYS 582 CO 0.01 0.69 0.55 -0.22 -2.27 0.00 0.00 179.45 178.20 3htt h LYS 583 N 0.21 0.92 0.03 1.90 3.64 0.04 0.24 116.57 123.56 3htt h LYS 583 Ca 0.06 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3htt h LYS 583 Cb 0.51 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3htt h LYS 583 CO 0.02 0.61 -0.01 0.28 -2.27 0.00 0.00 179.45 178.08 3htt h VAL 584 N 0.95 1.26 0.14 2.00 2.07 -1.08 0.31 116.25 121.91 3htt h VAL 584 Ca 0.36 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3htt h VAL 584 Cb 0.18 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3htt h VAL 584 CO -0.12 0.23 -0.07 0.44 0.02 0.00 0.00 177.57 178.07 3htt h ASP 585 N -0.44 -0.16 -0.39 0.57 3.32 -0.79 -0.21 116.42 118.31 3htt h ASP 585 Ca -0.00 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 56.95 3htt h ASP 585 Cb 0.41 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 3htt h ASP 585 CO 0.01 0.02 0.22 0.44 -1.72 0.00 0.00 179.24 178.21 3htt h ASP 586 N -0.34 0.35 -0.31 6.45 3.32 -0.62 -2.39 116.42 122.88 3htt h ASP 586 Ca -0.02 0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.10 3htt h ASP 586 Cb 0.27 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 39.68 3htt h ASP 586 CO 0.03 0.25 -0.39 1.23 -1.72 0.00 0.00 179.24 178.64 3htt h GLY 587 N 0.45 -0.51 1.17 2.75 0.00 -0.04 -0.43 103.07 106.46 3htt h GLY 587 Ca 0.16 0.50 -0.13 0.00 0.00 0.00 0.00 47.33 47.86 3htt h GLY 587 CO -0.08 -0.20 -0.22 0.74 0.00 0.00 0.00 176.54 176.78 3htt h PHE 588 N -0.36 1.09 0.00 5.60 0.05 -1.00 -2.70 116.94 119.62 3htt h PHE 588 Ca 0.13 -0.26 0.00 0.00 3.82 0.00 0.00 57.97 61.66 3htt h PHE 588 Cb 0.58 -0.25 0.00 0.00 2.00 0.00 0.00 35.95 38.28 3htt h PHE 588 CO -0.55 1.07 0.00 1.28 -0.18 0.00 0.00 178.31 179.93 3htt n LEU 589 N -4.11 0.00 -0.02 1.54 4.77 -0.91 -0.75 117.00 117.52 3htt n LEU 589 Ca 0.00 0.26 0.03 0.00 -0.03 0.00 0.00 56.01 56.27 3htt n LEU 589 Cb 0.46 -0.26 -0.13 0.00 -2.33 0.00 0.00 43.42 41.15 3htt n LEU 589 CO 0.46 -0.11 -0.71 0.47 -1.33 0.00 0.00 177.39 176.17 3htt n ASP 590 N -1.26 0.25 -0.07 -1.43 9.92 -0.21 -3.38 116.55 120.37 3htt n ASP 590 Ca 0.09 0.11 -0.13 0.00 -0.53 0.00 0.00 54.79 54.33 3htt n ASP 590 Cb 0.13 1.19 -0.12 0.00 -0.64 0.00 0.00 41.12 41.69 3htt n ASP 590 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3htt h VAL 591 N 0.00 1.63 0.00 2.53 2.07 -0.85 -3.06 116.25 118.57 3htt h VAL 591 Ca -0.20 -2.20 -0.05 0.00 0.82 0.00 0.00 66.70 65.08 3htt h VAL 591 Cb 1.49 3.07 -0.01 0.00 -1.52 0.00 0.00 31.29 34.32 3htt h VAL 591 CO 0.02 0.55 -0.22 -0.50 0.02 0.00 0.00 177.57 177.44 3htt h TRP 592 N -0.99 0.00 -0.07 1.57 4.06 -1.13 -0.95 115.95 118.44 3htt h TRP 592 Ca -0.00 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.72 3htt h TRP 592 Cb 0.90 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.07 3htt h TRP 592 CO 0.25 0.22 -0.86 1.15 -3.56 0.00 0.00 178.44 175.63 3htt h THR 593 N 0.00 1.32 0.03 1.49 2.02 -1.67 -0.80 112.91 115.31 3htt h THR 593 Ca -0.00 -2.17 -0.22 0.00 0.77 0.00 0.00 66.41 64.79 3htt h THR 593 Cb 0.53 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 3htt h THR 593 CO 0.03 0.67 -0.98 0.22 0.37 0.00 0.00 175.52 175.82 3htt h TYR 594 N 0.39 0.30 0.02 3.16 3.20 -1.39 -2.76 116.97 119.88 3htt h TYR 594 Ca -0.07 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.61 3htt h TYR 594 Cb 1.49 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.73 3htt h TYR 594 CO 0.08 1.05 -0.01 -0.91 -1.64 0.00 0.00 178.16 176.73 3htt h ASN 595 N 0.09 -0.02 0.31 -2.11 4.21 -1.20 -2.13 115.58 114.72 3htt h ASN 595 Ca -0.06 -0.67 -0.00 0.00 1.21 0.00 0.00 56.30 56.78 3htt h ASN 595 Cb 1.66 0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 38.85 3htt h ASN 595 CO 0.15 0.68 -0.28 0.00 -1.29 0.00 0.00 177.43 176.69 3htt h ALA 596 N 0.17 -0.60 -0.57 -0.83 0.00 -1.26 0.70 119.26 116.87 3htt h ALA 596 Ca -0.00 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.91 3htt h ALA 596 Cb 0.69 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 3htt h ALA 596 CO 0.00 -0.87 -0.35 1.49 0.00 0.00 0.00 179.25 179.53 3htt h GLU 597 N -0.61 -0.17 -0.08 0.00 4.57 -1.59 -1.16 114.58 115.54 3htt h GLU 597 Ca -0.02 0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 57.95 3htt h GLU 597 Cb 0.55 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.19 3htt h GLU 597 CO -0.04 -0.12 -0.86 -0.07 -1.18 0.00 0.00 179.01 176.74 3htt h LEU 598 N -0.18 0.81 -0.81 1.64 3.38 -1.13 -2.67 115.31 116.35 3htt h LEU 598 Ca 0.22 -0.57 0.10 0.00 0.09 0.00 0.00 57.88 57.72 3htt h LEU 598 Cb 0.55 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 3htt h LEU 598 CO -0.67 1.37 0.45 0.25 0.09 0.00 0.00 178.44 179.93 3htt h LEU 599 N 0.42 0.62 0.16 1.67 5.85 0.94 0.88 115.31 125.85 3htt h LEU 599 Ca -0.07 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3htt h LEU 599 Cb 1.49 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.46 3htt h LEU 599 CO 0.17 0.34 -0.08 0.58 -0.34 0.00 0.00 178.44 179.11 3htt h VAL 600 N 0.73 0.97 -0.29 1.05 2.07 -1.25 -0.08 116.25 119.46 3htt h VAL 600 Ca 0.40 -0.74 0.06 0.00 0.82 0.00 0.00 66.70 67.24 3htt h VAL 600 Cb 0.40 1.41 -0.08 0.00 -1.52 0.00 0.00 31.29 31.50 3htt h VAL 600 CO -0.27 0.17 -0.37 -0.07 0.02 0.00 0.00 177.57 177.05 3htt h LEU 601 N -0.59 -1.20 -0.37 2.57 3.38 -1.03 0.47 115.31 118.54 3htt h LEU 601 Ca -0.02 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3htt h LEU 601 Cb 0.44 0.53 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3htt h LEU 601 CO 0.04 -0.37 0.12 -0.07 0.09 0.00 0.00 178.44 178.25 3htt h LEU 602 N -0.36 0.53 -1.26 1.67 3.38 -0.88 -2.15 115.31 116.23 3htt h LEU 602 Ca 0.13 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3htt h LEU 602 Cb 0.57 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3htt h LEU 602 CO -0.48 0.58 -0.36 -0.33 0.09 0.00 0.00 178.44 177.94 3htt h GLU 603 N 0.44 0.01 -0.37 1.13 4.39 -0.59 -1.46 114.58 118.14 3htt h GLU 603 Ca 0.12 -0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.68 3htt h GLU 603 Cb 0.24 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3htt h GLU 603 CO -0.01 0.37 -0.30 -0.91 -1.16 0.00 0.00 179.01 177.01 3htt h ASN 604 N 0.01 0.83 0.14 1.42 2.35 0.14 0.13 115.58 120.60 3htt h ASN 604 Ca -0.00 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 3htt h ASN 604 Cb 0.65 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3htt h ASN 604 CO 0.05 1.07 -0.07 -0.08 -1.65 0.00 0.00 177.43 176.75 3htt h GLU 605 N 0.67 -0.18 -0.48 0.81 4.57 -0.89 -1.97 114.58 117.11 3htt h GLU 605 Ca 0.08 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.34 3htt h GLU 605 Cb 0.84 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.41 3htt h GLU 605 CO 0.07 -0.03 0.13 0.00 -1.18 0.00 0.00 179.01 178.00 3htt h ARG 606 N -0.30 0.27 0.12 1.92 2.47 -1.11 -1.07 114.38 116.68 3htt h ARG 606 Ca -0.02 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 3htt h ARG 606 Cb 0.24 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3htt h ARG 606 CO 0.03 0.18 -0.06 1.15 0.56 0.00 0.00 179.97 181.83 3htt h THR 607 N 0.27 0.91 -0.78 2.04 2.02 -0.81 0.60 112.91 117.16 3htt h THR 607 Ca 0.24 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.35 3htt h THR 607 Cb 0.29 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 3htt h THR 607 CO -0.29 0.02 0.50 -0.07 0.37 0.00 0.00 175.52 176.05 3htt h LEU 608 N -0.21 0.82 -0.81 2.58 3.38 -1.12 -1.49 115.31 118.47 3htt h LEU 608 Ca -0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3htt h LEU 608 Cb 0.17 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3htt h LEU 608 CO 0.03 0.57 0.47 0.44 0.09 0.00 0.00 178.44 180.04 3htt h ASP 609 N 0.97 0.98 -0.44 -0.43 3.32 -0.94 -1.15 116.42 118.73 3htt h ASP 609 Ca 0.31 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.33 3htt h ASP 609 Cb 0.01 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 3htt h ASP 609 CO -0.11 0.77 0.19 0.15 -1.72 0.00 0.00 179.24 178.52 3htt h PHE 610 N 1.11 0.34 -0.06 4.55 3.57 0.02 0.36 116.94 126.83 3htt h PHE 610 Ca 0.29 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 3htt h PHE 610 Cb -0.02 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 3htt h PHE 610 CO -0.00 0.15 0.03 0.45 -2.23 0.00 0.00 178.31 176.70 3htt h HIS 611 N 0.38 0.08 -0.75 0.41 3.86 -0.85 -0.44 115.15 117.83 3htt h HIS 611 Ca 0.20 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.50 3htt h HIS 611 Cb 0.16 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.53 3htt h HIS 611 CO -0.13 0.19 0.40 0.22 0.86 0.00 0.00 177.93 179.46 3htt h ASP 612 N -0.04 0.53 -0.79 2.45 3.58 -0.74 -0.67 116.42 120.74 3htt h ASP 612 Ca 0.02 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.48 3htt h ASP 612 Cb 0.14 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 3htt h ASP 612 CO -0.00 0.30 0.30 -1.28 -2.88 0.00 0.00 179.24 175.68 3htt h SER 613 N 0.66 1.11 -0.26 2.28 0.87 0.02 -1.74 113.55 116.48 3htt h SER 613 Ca 0.37 -0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 60.68 3htt h SER 613 Cb 0.38 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 3htt h SER 613 CO -0.27 0.99 -0.06 0.78 -0.53 0.00 0.00 176.83 177.74 3htt h ASN 614 N 1.16 0.61 0.17 6.23 2.35 0.34 -0.73 115.58 125.70 3htt h ASN 614 Ca 0.26 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3htt h ASN 614 Cb 0.24 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3htt h ASN 614 CO -0.02 0.73 -0.08 0.58 -1.65 0.00 0.00 177.43 176.99 3htt h VAL 615 N 0.59 0.96 -0.98 2.81 2.07 -0.94 -1.64 116.25 119.13 3htt h VAL 615 Ca 0.11 -0.78 0.13 0.00 0.82 0.00 0.00 66.70 66.98 3htt h VAL 615 Cb 0.47 1.42 -0.09 0.00 -1.52 0.00 0.00 31.29 31.57 3htt h VAL 615 CO 0.02 0.17 0.60 -0.09 0.02 0.00 0.00 177.57 178.30 3htt h ARG 616 N -0.61 0.90 -0.61 1.57 9.65 -1.16 0.21 114.38 124.33 3htt h ARG 616 Ca -0.02 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.71 3htt h ARG 616 Cb 0.46 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 3htt h ARG 616 CO 0.04 0.60 0.02 -0.91 2.80 0.00 0.00 179.97 182.51 3htt h ASN 617 N 0.93 1.04 0.53 -3.80 2.35 -1.05 0.00 115.58 115.58 3htt h ASN 617 Ca 0.50 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 3htt h ASN 617 Cb 0.54 -0.28 0.01 0.00 0.05 0.00 0.00 38.32 38.64 3htt h ASN 617 CO -0.28 1.08 -0.26 0.25 -1.65 0.00 0.00 177.43 176.57 3htt h LEU 618 N 0.97 -0.61 -0.79 1.61 5.85 -0.13 0.34 115.31 122.55 3htt h LEU 618 Ca 0.18 -0.05 0.18 0.00 0.84 0.00 0.00 57.88 59.03 3htt h LEU 618 Cb 0.54 0.16 -0.12 0.00 0.37 0.00 0.00 40.66 41.61 3htt h LEU 618 CO 0.03 -0.30 0.21 0.22 -0.34 0.00 0.00 178.44 178.26 3htt h TYR 619 N -0.91 0.33 -0.15 1.25 3.20 -0.60 0.10 116.97 120.20 3htt h TYR 619 Ca -0.07 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 3htt h TYR 619 Cb 0.62 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 3htt h TYR 619 CO -0.00 -0.11 -0.48 1.49 -1.64 0.00 0.00 178.16 177.42 3htt h GLU 620 N 0.27 0.38 -0.91 1.82 4.81 -0.75 0.11 114.58 120.31 3htt h GLU 620 Ca 0.47 -0.21 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 3htt h GLU 620 Cb 0.84 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.18 3htt h GLU 620 CO -0.55 0.78 0.60 -0.22 -0.73 0.00 0.00 179.01 178.88 3htt h LYS 621 N 0.30 1.14 0.02 1.92 3.64 0.22 -1.38 116.57 122.44 3htt h LYS 621 Ca 0.02 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3htt h LYS 621 Cb 0.95 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3htt h LYS 621 CO 0.08 0.76 -0.01 0.28 -2.27 0.00 0.00 179.45 178.29 3htt h VAL 622 N 1.18 1.48 -0.14 2.00 2.07 -1.16 -3.10 116.25 118.58 3htt h VAL 622 Ca 0.35 -1.60 0.04 0.00 0.82 0.00 0.00 66.70 66.32 3htt h VAL 622 Cb -0.04 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 3htt h VAL 622 CO -0.10 0.41 0.41 0.50 0.02 0.00 0.00 177.57 178.80 3htt h LYS 623 N -0.72 0.00 0.01 1.57 3.11 -0.77 0.92 116.57 120.70 3htt h LYS 623 Ca -0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3htt h LYS 623 Cb 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.91 3htt h LYS 623 CO 0.00 0.00 -0.01 1.03 -2.81 0.00 0.00 179.45 177.67 3htt h SER 624 N 0.00 -0.01 -0.01 4.20 0.87 -1.20 -3.10 113.55 114.30 3htt h SER 624 Ca 0.07 -0.79 -0.00 0.00 -1.23 0.00 0.00 61.79 59.84 3htt h SER 624 Cb 0.88 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.85 3htt h SER 624 CO -0.00 0.81 0.00 1.56 -0.53 0.00 0.00 176.83 178.68 3htt h GLN 625 N -0.87 0.01 -0.61 2.24 4.20 -0.77 -3.22 115.11 116.08 3htt h GLN 625 Ca -0.00 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3htt h GLN 625 Cb 0.80 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 3htt h GLN 625 CO 0.00 0.08 0.23 -0.07 -0.67 0.00 0.00 178.83 178.40 3htt h LEU 626 N -0.06 0.86 0.00 1.46 3.38 -1.54 -3.43 115.31 115.97 3htt h LEU 626 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3htt h LEU 626 Cb 0.07 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3htt h LEU 626 CO -0.00 0.81 0.00 0.54 0.09 0.00 0.00 178.44 179.88 3htt n ARG 627 N -4.43 0.00 0.05 1.13 1.74 -1.17 -0.62 116.66 113.36 3htt n ARG 627 Ca 0.04 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.24 3htt n ARG 627 Cb 0.18 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 31.86 3htt n ARG 627 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3htt n ASN 628 N 8.57 0.62 -0.30 0.55 5.03 -1.26 -4.01 115.26 124.46 3htt n ASN 628 Ca 0.00 0.12 0.00 0.00 0.87 0.00 0.00 54.58 55.57 3htt n ASN 628 Cb 0.00 0.04 0.00 0.00 -1.02 0.00 0.00 39.78 38.80 3htt n ASN 628 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3htt n ASN 629 N -1.95 0.35 -3.58 6.41 4.13 0.21 -4.69 115.26 116.14 3htt n ASN 629 Ca 0.04 -1.19 -0.10 0.00 1.68 0.00 0.00 54.58 55.01 3htt n ASN 629 Cb 0.41 -0.18 -0.05 0.00 -1.54 0.00 0.00 39.78 38.42 3htt n ASN 629 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3htt s ALA 630 N -1.41 -1.94 -0.10 5.41 0.00 -1.26 -1.27 121.76 121.19 3htt s ALA 630 Ca 0.00 1.59 -0.04 0.00 0.00 0.00 0.00 51.96 53.50 3htt s ALA 630 Cb 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 3htt s ALA 630 CO 0.00 -0.32 0.07 0.21 0.00 0.00 0.00 175.76 175.72 3htt s LYS 631 N -1.15 3.21 -0.20 0.00 2.20 -0.66 -4.84 119.74 118.28 3htt s LYS 631 Ca -0.01 -0.27 -0.22 0.00 -0.36 0.00 0.00 55.97 55.11 3htt s LYS 631 Cb -0.00 -2.99 -0.02 0.00 -1.51 0.00 0.00 37.83 33.31 3htt s LYS 631 CO 0.01 0.74 0.68 -1.21 -0.36 0.00 0.00 175.35 175.21 3htt s GLU 632 N -0.97 4.21 -0.47 4.03 2.02 -1.26 -1.92 118.70 124.33 3htt s GLU 632 Ca 0.14 0.71 -0.10 0.00 0.02 0.00 0.00 54.97 55.74 3htt s GLU 632 Cb -0.12 -3.59 0.11 0.00 0.10 0.00 0.00 34.13 30.63 3htt s GLU 632 CO 0.03 -0.30 0.36 0.42 0.02 0.00 0.00 175.26 175.78 3htt s ILE 633 N 2.12 4.39 0.00 -1.63 1.01 -0.98 -4.97 121.20 121.14 3htt s ILE 633 Ca 0.31 -1.66 0.00 0.00 0.00 0.00 0.00 60.65 59.30 3htt s ILE 633 Cb -0.16 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.47 3htt s ILE 633 CO 0.10 -0.74 0.00 0.61 0.00 0.00 0.00 174.94 174.91 3htt n GLY 634 N 4.97 0.00 0.04 6.18 0.00 -1.26 -2.89 105.19 112.23 3htt n GLY 634 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.94 3htt n GLY 634 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3htt n ASN 635 N 0.94 1.15 0.00 1.61 2.04 -1.24 -4.75 115.26 115.02 3htt n ASN 635 Ca 0.00 -1.71 0.00 0.00 -0.44 0.00 0.00 54.58 52.43 3htt n ASN 635 Cb 0.00 -0.05 0.00 0.00 -2.53 0.00 0.00 39.78 37.20 3htt n ASN 635 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3htt n GLY 636 N -0.35 0.76 3.59 4.83 0.00 -1.14 -4.57 105.19 108.30 3htt n GLY 636 Ca 0.01 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 3htt n GLY 636 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3htt s PHE 638 N -2.40 1.05 -0.31 0.00 0.40 -1.26 -2.32 117.98 113.13 3htt s PHE 638 Ca 0.31 -0.36 -0.08 0.00 -0.60 0.00 0.00 56.93 56.20 3htt s PHE 638 Cb -0.05 -0.86 0.01 0.00 0.51 0.00 0.00 43.02 42.62 3htt s PHE 638 CO 0.18 -0.26 0.12 -2.00 0.70 0.00 0.00 175.22 173.97 3htt s GLU 639 N 0.97 3.13 0.46 0.44 2.12 -0.81 -4.93 118.70 120.07 3htt s GLU 639 Ca -0.10 -0.85 -0.25 0.00 0.36 0.00 0.00 54.97 54.14 3htt s GLU 639 Cb -0.15 -3.49 -0.08 0.00 0.26 0.00 0.00 34.13 30.68 3htt s GLU 639 CO 0.00 -0.47 1.38 -0.06 -0.54 0.00 0.00 175.26 175.56 3htt s PHE 640 N 1.54 2.53 -1.31 5.30 0.40 -1.26 -1.66 117.98 123.52 3htt s PHE 640 Ca 0.03 1.33 0.06 0.00 -0.60 0.00 0.00 56.93 57.75 3htt s PHE 640 Cb -0.17 -3.82 0.26 0.00 0.51 0.00 0.00 43.02 39.79 3htt s PHE 640 CO 0.04 -2.68 1.05 0.66 0.70 0.00 0.00 175.22 174.99 3htt n TYR 641 N -0.27 0.55 -3.85 0.36 0.53 -0.40 -4.86 117.16 109.22 3htt n TYR 641 Ca 0.06 -0.21 -0.11 0.00 -1.02 0.00 0.00 57.90 56.62 3htt n TYR 641 Cb 0.43 -0.13 -0.00 0.00 -1.03 0.00 0.00 39.34 38.61 3htt n TYR 641 CO 0.00 0.00 0.00 -2.39 -1.02 0.00 0.00 176.86 173.45 3htt n HIS 642 N 0.23 -1.81 -2.89 -0.72 1.44 -1.26 -5.03 115.22 105.17 3htt n HIS 642 Ca 0.09 -1.89 -0.39 0.00 -2.01 0.00 0.00 57.72 53.53 3htt n HIS 642 Cb 0.41 0.67 -0.06 0.00 0.12 0.00 0.00 29.99 31.13 3htt n HIS 642 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3htt s LYS 643 N -2.39 4.60 -0.39 -1.40 -0.14 -1.26 -5.02 119.74 113.73 3htt s LYS 643 Ca 0.20 1.24 0.01 0.00 -1.36 0.00 0.00 55.97 56.06 3htt s LYS 643 Cb -0.03 -3.11 0.15 0.00 -1.68 0.00 0.00 37.83 33.16 3htt s LYS 643 CO 0.15 0.47 0.25 0.00 -0.76 0.00 0.00 175.35 175.46 3htt n ASP 645 N 3.60 -1.85 0.23 0.00 3.85 -1.26 -4.39 116.55 116.74 3htt n ASP 645 Ca 0.16 -0.66 0.07 0.00 -0.71 0.00 0.00 54.79 53.65 3htt n ASP 645 Cb 0.39 -0.41 0.56 0.00 -1.35 0.00 0.00 41.12 40.31 3htt n ASP 645 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3htt h ASP 646 N -1.97 0.00 0.44 -1.12 3.32 -2.00 0.15 116.42 115.24 3htt h ASP 646 Ca -0.17 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 3htt h ASP 646 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3htt h ASP 646 CO 0.11 0.16 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.25 3htt h GLU 647 N 0.00 -0.56 -0.38 3.56 4.39 -1.99 -0.24 114.58 119.36 3htt h GLU 647 Ca -0.00 0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.82 3htt h GLU 647 Cb 0.30 0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 29.00 3htt h GLU 647 CO 0.02 -0.26 -0.22 0.00 -1.16 0.00 0.00 179.01 177.40 3htt h MET 649 N -0.16 0.94 0.39 0.00 2.86 -0.67 -2.09 114.93 116.21 3htt h MET 649 Ca 0.19 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3htt h MET 649 Cb 0.45 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3htt h MET 649 CO -0.47 0.62 -0.19 1.49 1.06 0.00 0.00 176.91 179.42 3htt h GLU 650 N 0.97 -0.51 -0.80 1.72 4.57 0.11 -2.41 114.58 118.23 3htt h GLU 650 Ca 0.45 0.03 0.19 0.00 -1.18 0.00 0.00 59.36 58.86 3htt h GLU 650 Cb 0.42 0.12 -0.13 0.00 -0.16 0.00 0.00 28.75 29.00 3htt h GLU 650 CO -0.21 -0.26 0.15 0.66 -1.18 0.00 0.00 179.01 178.16 3htt h SER 651 N -0.66 -0.10 -0.03 1.04 4.64 -0.08 0.31 113.55 118.67 3htt h SER 651 Ca -0.05 0.18 -0.12 0.00 -0.47 0.00 0.00 61.79 61.32 3htt h SER 651 Cb 0.48 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 3htt h SER 651 CO 0.09 -0.13 -0.38 1.62 -0.87 0.00 0.00 176.83 177.17 3htt h VAL 652 N 0.20 1.30 0.69 0.95 3.04 -1.44 0.84 116.25 121.82 3htt h VAL 652 Ca 0.47 -1.52 -0.03 0.00 -1.01 0.00 0.00 66.70 64.60 3htt h VAL 652 Cb 0.87 1.53 0.01 0.00 -2.01 0.00 0.00 31.29 31.68 3htt h VAL 652 CO -0.61 0.48 -0.33 0.11 -1.01 0.00 0.00 177.57 176.20 3htt h LYS 653 N 0.45 -0.89 -1.43 4.17 1.57 0.03 -2.33 116.57 118.13 3htt h LYS 653 Ca 0.04 0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.67 3htt h LYS 653 Cb 0.86 0.20 -0.10 0.00 0.08 0.00 0.00 32.23 33.27 3htt h LYS 653 CO 0.07 -0.59 0.28 0.27 -0.57 0.00 0.00 179.45 178.91 3htt n ASN 654 N -5.49 5.18 -4.06 0.86 0.23 0.03 -4.89 115.26 107.12 3htt n ASN 654 Ca -0.14 -2.78 -0.38 0.00 -0.53 0.00 0.00 54.58 50.76 3htt n ASN 654 Cb 0.38 -0.92 -0.01 0.00 -2.08 0.00 0.00 39.78 37.15 3htt n ASN 654 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3htt n GLY 655 N 0.41 -0.56 1.56 4.83 0.00 -0.75 -4.87 105.19 105.81 3htt n GLY 655 Ca 0.21 0.25 0.02 0.00 0.00 0.00 0.00 46.02 46.51 3htt n GLY 655 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3htt n THR 656 N -4.46 0.10 -1.84 2.61 -2.24 0.28 -4.99 114.28 103.75 3htt n THR 656 Ca -0.15 -1.03 -0.42 0.00 -2.27 0.00 0.00 64.05 60.18 3htt n THR 656 Cb 0.52 0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 3htt n THR 656 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3htt s TYR 657 N -0.31 2.23 1.25 4.78 5.04 -1.17 -4.79 117.35 124.38 3htt s TYR 657 Ca 0.29 0.14 -0.21 0.00 -2.44 0.00 0.00 57.07 54.85 3htt s TYR 657 Cb 0.34 -4.06 0.32 0.00 0.35 0.00 0.00 41.96 38.90 3htt s TYR 657 CO -0.14 -4.34 0.88 -3.47 -1.34 0.00 0.00 175.55 167.14 3htt n ASP 658 N 5.81 -3.13 -0.16 4.32 -0.08 -1.26 -4.79 116.55 117.26 3htt n ASP 658 Ca 0.17 -0.93 -0.02 0.00 -1.51 0.00 0.00 54.79 52.49 3htt n ASP 658 Cb 0.40 -0.91 -0.00 0.00 2.34 0.00 0.00 41.12 42.94 3htt n ASP 658 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3htt n TYR 659 N -5.18 0.05 -0.03 -0.67 0.18 -1.26 -5.02 117.16 105.22 3htt n TYR 659 Ca 0.13 0.03 0.00 0.00 1.88 0.00 0.00 57.90 59.94 3htt n TYR 659 Cb 0.54 -0.08 0.00 0.00 -0.38 0.00 0.00 39.34 39.42 3htt n TYR 659 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43