#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cek s GLN 516 N 0.00 0.88 0.39 3.97 0.74 -1.26 -5.00 119.66 119.38 3cek s GLN 516 Ca 0.00 -1.41 0.00 0.00 0.05 0.00 0.00 55.36 54.01 3cek s GLN 516 Cb 0.00 0.21 -0.02 0.00 1.10 0.00 0.00 33.01 34.30 3cek s GLN 516 CO 0.00 -0.23 0.60 0.45 -0.55 0.00 0.00 175.29 175.56 3cek s SER 517 N -3.03 6.12 -0.07 6.67 0.15 -1.26 -1.50 113.70 120.78 3cek s SER 517 Ca 0.21 0.39 -0.08 0.00 0.70 0.00 0.00 55.95 57.17 3cek s SER 517 Cb 0.07 -1.84 0.02 0.00 -1.71 0.00 0.00 66.02 62.56 3cek s SER 517 CO -0.00 -0.45 0.21 -0.04 1.20 0.00 0.00 173.24 174.16 3cek s MET 518 N -4.41 0.30 -0.18 5.44 -1.94 -0.25 -4.92 119.30 113.34 3cek s MET 518 Ca 0.43 0.20 -0.04 0.00 -1.71 0.00 0.00 55.69 54.57 3cek s MET 518 Cb -0.10 0.14 -0.02 0.00 2.01 0.00 0.00 34.83 36.86 3cek s MET 518 CO 0.37 -0.05 -0.04 0.45 -0.01 0.00 0.00 175.02 175.74 3cek s SER 519 N -0.13 4.58 -0.21 3.03 0.15 -1.26 -0.35 113.70 119.51 3cek s SER 519 Ca -0.02 -0.25 -0.00 0.00 0.70 0.00 0.00 55.95 56.38 3cek s SER 519 Cb -0.02 -1.76 0.06 0.00 -1.71 0.00 0.00 66.02 62.58 3cek s SER 519 CO 0.01 0.09 -0.04 -0.69 1.20 0.00 0.00 173.24 173.81 3cek s VAL 520 N 0.85 1.24 -1.36 4.45 1.01 0.41 -4.78 120.40 122.23 3cek s VAL 520 Ca -0.01 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 3cek s VAL 520 Cb -0.15 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.72 3cek s VAL 520 CO 0.02 -0.07 0.85 0.29 0.00 0.00 0.00 175.10 176.18 3cek n LYS 521 N 4.79 -5.56 -0.67 2.72 4.76 -1.26 -2.30 118.16 120.63 3cek n LYS 521 Ca -0.11 0.66 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 3cek n LYS 521 Cb 0.45 -5.41 0.00 0.00 -1.84 0.00 0.00 35.03 28.24 3cek n LYS 521 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cek n GLY 522 N -1.59 1.63 3.65 0.72 0.00 -1.26 -5.01 105.19 103.32 3cek n GLY 522 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 3cek n GLY 522 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cek s ARG 523 N -0.01 3.32 -0.17 1.61 0.52 -0.97 -5.08 118.95 118.17 3cek s ARG 523 Ca 0.00 -0.40 -0.08 0.00 -0.52 0.00 0.00 55.73 54.72 3cek s ARG 523 Cb 0.00 -2.91 -0.04 0.00 0.52 0.00 0.00 34.95 32.51 3cek s ARG 523 CO 0.00 0.54 0.12 0.42 0.02 0.00 0.00 175.30 176.40 3cek s ILE 524 N -0.43 5.32 -0.06 1.52 1.09 -1.26 -0.45 121.20 126.94 3cek s ILE 524 Ca 0.08 0.15 0.03 0.00 -1.10 0.00 0.00 60.65 59.81 3cek s ILE 524 Cb -0.12 -3.38 0.01 0.00 -1.06 0.00 0.00 42.46 37.91 3cek s ILE 524 CO 0.02 0.51 -0.14 -0.31 -0.10 0.00 0.00 174.94 174.92 3cek s TYR 525 N -0.17 1.57 -0.05 3.97 2.02 0.53 -3.74 117.35 121.48 3cek s TYR 525 Ca 0.10 -0.52 -0.14 0.00 -0.37 0.00 0.00 57.07 56.14 3cek s TYR 525 Cb -0.12 -1.10 -0.05 0.00 -0.40 0.00 0.00 41.96 40.29 3cek s TYR 525 CO 0.00 -0.23 0.36 -1.12 -1.57 0.00 0.00 175.55 173.00 3cek s SER 526 N 0.37 6.69 -0.30 2.29 0.01 0.63 -1.09 113.70 122.30 3cek s SER 526 Ca -0.10 0.82 -0.27 0.00 1.31 0.00 0.00 55.95 57.71 3cek s SER 526 Cb -0.14 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 63.89 3cek s SER 526 CO 0.03 0.29 0.98 -0.63 0.41 0.00 0.00 173.24 174.32 3cek s ILE 527 N -0.75 4.63 -0.11 1.44 1.01 -0.57 -0.35 121.20 126.50 3cek s ILE 527 Ca 0.22 1.63 -0.06 0.00 0.00 0.00 0.00 60.65 62.43 3cek s ILE 527 Cb -0.15 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 3cek s ILE 527 CO 0.11 -0.35 0.13 -0.07 0.00 0.00 0.00 174.94 174.75 3cek h LEU 528 N 9.77 0.00 -7.92 2.97 3.38 -0.85 -3.27 115.31 119.38 3cek h LEU 528 Ca -0.21 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 3cek h LEU 528 Cb 1.07 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.72 3cek h LEU 528 CO 0.98 0.63 -0.05 -1.59 0.09 0.00 0.00 178.44 178.49 3cek s LYS 529 N -1.74 1.43 -0.08 1.13 -2.85 -1.05 -4.76 119.74 111.82 3cek s LYS 529 Ca -0.05 -1.03 -0.23 0.00 -1.00 0.00 0.00 55.97 53.65 3cek s LYS 529 Cb -0.00 0.49 -0.03 0.00 -2.06 0.00 0.00 37.83 36.22 3cek s LYS 529 CO 0.15 -0.60 0.71 -1.14 0.10 0.00 0.00 175.35 174.57 3cek s GLN 530 N -3.93 4.42 -0.17 1.78 0.74 -1.26 0.27 119.66 121.51 3cek s GLN 530 Ca 0.14 0.88 0.02 0.00 0.05 0.00 0.00 55.36 56.45 3cek s GLN 530 Cb -0.01 -3.46 -0.22 0.00 1.10 0.00 0.00 33.01 30.42 3cek s GLN 530 CO 0.02 0.02 0.16 -0.89 -0.55 0.00 0.00 175.29 174.05 3cek n ILE 531 N 3.88 1.61 -4.19 -2.34 5.41 0.35 -4.88 119.36 119.20 3cek n ILE 531 Ca -0.01 -0.67 -0.16 0.00 1.00 0.00 0.00 62.75 62.91 3cek n ILE 531 Cb 0.51 -1.37 -0.13 0.00 -0.71 0.00 0.00 39.64 37.94 3cek n ILE 531 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3cek s GLY 532 N -5.84 0.57 0.56 7.39 0.00 -0.93 -4.96 107.32 104.11 3cek s GLY 532 Ca -0.23 -0.69 0.04 0.00 0.00 0.00 0.00 44.72 43.85 3cek s GLY 532 CO 0.73 -0.69 0.34 -1.35 0.00 0.00 0.00 173.10 172.12 3cek s SER 533 N -1.14 4.53 0.00 1.64 1.04 -1.26 -1.94 113.70 116.57 3cek s SER 533 Ca -0.03 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.03 3cek s SER 533 Cb -0.08 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3cek s SER 533 CO 0.01 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.71 3cek n GLY 534 N -1.72 -1.31 3.09 7.32 0.00 -0.69 -4.80 105.19 107.08 3cek n GLY 534 Ca -0.06 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 3cek n GLY 534 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cek s GLY 535 N 0.00 1.30 -0.99 -0.02 0.00 -1.26 -2.77 107.32 103.58 3cek s GLY 535 Ca 0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 44.72 43.60 3cek s GLY 535 CO 0.00 0.33 2.03 1.44 0.00 0.00 0.00 173.10 176.90 3cek n SER 536 N 4.61 7.45 -4.45 1.64 7.64 -1.26 -5.06 113.62 124.19 3cek n SER 536 Ca -0.20 -3.61 -0.31 0.00 1.01 0.00 0.00 58.87 55.76 3cek n SER 536 Cb 0.50 -1.18 -0.13 0.00 -1.01 0.00 0.00 64.21 62.39 3cek n SER 536 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3cek s SER 537 N -0.91 3.81 -0.02 6.43 1.04 -1.12 -1.80 113.70 121.13 3cek s SER 537 Ca 0.46 -0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.57 3cek s SER 537 Cb 0.26 -0.65 -0.03 0.00 0.10 0.00 0.00 66.02 65.71 3cek s SER 537 CO -0.20 0.28 -0.19 -0.54 0.98 0.00 0.00 173.24 173.57 3cek s LYS 538 N -1.23 2.30 -0.11 4.02 1.02 -0.27 -1.70 119.74 123.77 3cek s LYS 538 Ca 0.14 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.31 3cek s LYS 538 Cb -0.10 -2.24 -0.02 0.00 -0.52 0.00 0.00 37.83 34.95 3cek s LYS 538 CO 0.04 0.59 -0.12 0.08 -0.92 0.00 0.00 175.35 175.02 3cek s VAL 539 N -0.73 3.22 -0.03 3.17 1.01 -0.82 -0.11 120.40 126.12 3cek s VAL 539 Ca 0.12 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.54 3cek s VAL 539 Cb -0.10 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 3cek s VAL 539 CO 0.01 0.54 -0.22 -0.36 0.00 0.00 0.00 175.10 175.07 3cek s PHE 540 N -0.01 2.05 -0.12 5.22 0.08 0.69 -0.50 117.98 125.38 3cek s PHE 540 Ca -0.03 -0.44 -0.24 0.00 0.12 0.00 0.00 56.93 56.34 3cek s PHE 540 Cb -0.14 -1.33 -0.03 0.00 -0.57 0.00 0.00 43.02 40.95 3cek s PHE 540 CO 0.04 -0.07 0.76 -1.14 -0.10 0.00 0.00 175.22 174.70 3cek s GLN 541 N -0.42 4.36 0.11 0.44 0.74 0.14 -0.41 119.66 124.61 3cek s GLN 541 Ca 0.06 0.93 -0.01 0.00 0.05 0.00 0.00 55.36 56.38 3cek s GLN 541 Cb -0.10 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 3cek s GLN 541 CO 0.00 -0.14 0.04 0.14 -0.55 0.00 0.00 175.29 174.78 3cek s VAL 542 N 1.49 0.14 -0.02 1.34 -7.23 -0.20 -0.11 120.40 115.81 3cek s VAL 542 Ca 0.37 -1.86 0.07 0.00 -1.81 0.00 0.00 61.98 58.76 3cek s VAL 542 Cb -0.17 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 3cek s VAL 542 CO 0.15 -0.63 -0.25 -0.76 -0.31 0.00 0.00 175.10 173.31 3cek s LEU 543 N -3.00 2.05 0.00 1.32 1.43 0.52 -1.38 118.68 119.61 3cek s LEU 543 Ca 0.18 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 3cek s LEU 543 Cb 0.08 -1.28 0.15 0.00 0.03 0.00 0.00 46.19 45.17 3cek s LEU 543 CO -0.02 0.30 0.89 -0.46 0.23 0.00 0.00 176.35 177.28 3cek n ASN 544 N 2.53 0.21 0.30 2.29 6.94 -0.59 -0.27 115.26 126.66 3cek n ASN 544 Ca -0.16 -1.41 0.20 0.00 -0.02 0.00 0.00 54.58 53.19 3cek n ASN 544 Cb 0.52 -0.66 0.96 0.00 -2.36 0.00 0.00 39.78 38.23 3cek n ASN 544 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 3cek h GLU 545 N 0.00 0.00 -0.51 -3.83 4.11 -1.91 -1.37 114.58 111.07 3cek h GLU 545 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 3cek h GLU 545 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3cek h GLU 545 CO 0.22 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.93 3cek n LYS 546 N -3.02 2.32 -2.21 1.06 5.02 -1.26 -4.96 118.16 115.11 3cek n LYS 546 Ca -0.01 -2.04 -0.20 0.00 -2.02 0.00 0.00 58.31 54.04 3cek n LYS 546 Cb 0.17 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 3cek n LYS 546 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cek n LYS 547 N 1.18 -1.58 -2.78 1.97 5.02 -0.51 -5.02 118.16 116.43 3cek n LYS 547 Ca 0.19 1.04 -0.40 0.00 -2.02 0.00 0.00 58.31 57.11 3cek n LYS 547 Cb 0.50 -5.61 -0.05 0.00 -0.02 0.00 0.00 35.03 29.85 3cek n LYS 547 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3cek s GLN 548 N -4.73 4.72 -0.02 1.97 -0.21 -1.26 -4.82 119.66 115.32 3cek s GLN 548 Ca 0.00 1.41 -0.19 0.00 0.02 0.00 0.00 55.36 56.60 3cek s GLN 548 Cb 0.00 -3.33 -0.05 0.00 1.00 0.00 0.00 33.01 30.62 3cek s GLN 548 CO 0.00 0.35 0.52 -1.50 -2.12 0.00 0.00 175.29 172.55 3cek s ILE 549 N -0.49 4.97 0.14 1.08 2.07 -1.26 -1.55 121.20 126.15 3cek s ILE 549 Ca 0.43 1.09 -0.01 0.00 -1.41 0.00 0.00 60.65 60.76 3cek s ILE 549 Cb -0.24 -3.85 -0.04 0.00 0.13 0.00 0.00 42.46 38.46 3cek s ILE 549 CO 0.30 0.45 0.05 -0.31 -1.91 0.00 0.00 174.94 173.52 3cek s TYR 550 N -0.34 0.92 -0.12 3.50 2.02 -0.48 -4.55 117.35 118.30 3cek s TYR 550 Ca 0.28 -1.20 -0.02 0.00 -0.37 0.00 0.00 57.07 55.76 3cek s TYR 550 Cb -0.17 -0.52 -0.03 0.00 -0.40 0.00 0.00 41.96 40.84 3cek s TYR 550 CO 0.15 -0.47 -0.04 0.00 -1.57 0.00 0.00 175.55 173.63 3cek s ALA 551 N -3.98 3.06 -0.21 3.71 0.00 -0.28 -1.03 121.76 123.02 3cek s ALA 551 Ca 0.24 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 3cek s ALA 551 Cb 0.07 -1.46 0.01 0.00 0.00 0.00 0.00 23.12 21.75 3cek s ALA 551 CO 0.02 0.38 -0.12 0.42 0.00 0.00 0.00 175.76 176.46 3cek s ILE 552 N -0.19 2.63 -0.22 0.00 1.01 0.45 -0.25 121.20 124.63 3cek s ILE 552 Ca 0.04 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 59.62 3cek s ILE 552 Cb -0.13 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 3cek s ILE 552 CO 0.02 0.42 0.71 -0.75 0.00 0.00 0.00 174.94 175.34 3cek s LYS 553 N 1.35 4.18 -0.18 2.79 2.20 -0.55 -0.23 119.74 129.30 3cek s LYS 553 Ca 0.04 0.73 -0.07 0.00 -0.36 0.00 0.00 55.97 56.31 3cek s LYS 553 Cb -0.14 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 3cek s LYS 553 CO -0.08 -0.38 0.05 -0.47 -0.36 0.00 0.00 175.35 174.11 3cek s TYR 554 N 2.39 3.21 -0.13 4.03 5.04 0.85 -1.16 117.35 131.57 3cek s TYR 554 Ca 0.31 -0.01 0.02 0.00 -2.44 0.00 0.00 57.07 54.95 3cek s TYR 554 Cb -0.16 -2.07 0.01 0.00 0.35 0.00 0.00 41.96 40.09 3cek s TYR 554 CO 0.09 0.10 -0.20 0.08 -1.34 0.00 0.00 175.55 174.28 3cek s VAL 555 N 0.45 1.88 -0.07 3.14 1.01 -0.14 -1.12 120.40 125.56 3cek s VAL 555 Ca 0.02 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 3cek s VAL 555 Cb -0.13 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 3cek s VAL 555 CO 0.01 0.52 0.94 0.21 0.00 0.00 0.00 175.10 176.77 3cek s ASN 556 N 0.86 7.23 0.00 3.32 3.84 -0.75 -0.95 114.94 128.50 3cek s ASN 556 Ca -0.07 1.50 0.16 0.00 0.21 0.00 0.00 52.86 54.65 3cek s ASN 556 Cb -0.15 -2.53 0.42 0.00 -0.55 0.00 0.00 41.25 38.43 3cek s ASN 556 CO -0.02 -0.32 1.34 0.18 -2.79 0.00 0.00 177.10 175.49 3cek n LEU 557 N 4.44 3.27 0.19 3.21 4.77 0.25 -4.60 117.00 128.52 3cek n LEU 557 Ca 0.06 -1.90 0.03 0.00 -0.03 0.00 0.00 56.01 54.18 3cek n LEU 557 Cb 0.50 -0.31 0.41 0.00 -2.33 0.00 0.00 43.42 41.70 3cek n LEU 557 CO 0.51 0.80 0.80 -0.33 -1.33 0.00 0.00 177.39 177.84 3cek h GLU 558 N 3.02 0.02 0.00 3.23 3.07 -1.82 -3.06 114.58 119.04 3cek h GLU 558 Ca 0.00 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 3cek h GLU 558 Cb 0.83 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.73 3cek h GLU 558 CO 0.00 0.30 -1.82 0.39 -1.40 0.00 0.00 179.01 176.48 3cek n GLU 559 N -4.20 0.65 -1.78 2.33 4.71 -1.26 -4.99 120.64 116.10 3cek n GLU 559 Ca -0.02 -0.10 -0.42 0.00 -0.01 0.00 0.00 57.16 56.61 3cek n GLU 559 Cb 0.33 -1.59 -0.03 0.00 -1.01 0.00 0.00 31.44 29.14 3cek n GLU 559 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3cek s ALA 560 N -3.37 3.87 0.81 0.62 0.00 -1.16 -5.00 121.76 117.52 3cek s ALA 560 Ca -0.07 1.51 -0.09 0.00 0.00 0.00 0.00 51.96 53.31 3cek s ALA 560 Cb 0.12 -3.69 0.12 0.00 0.00 0.00 0.00 23.12 19.67 3cek s ALA 560 CO 0.88 -0.95 1.14 0.16 0.00 0.00 0.00 175.76 176.98 3cek s ASP 561 N 1.47 4.11 0.30 0.00 -4.77 -1.26 -4.81 116.67 111.70 3cek s ASP 561 Ca 0.75 0.28 0.06 0.00 -3.30 0.00 0.00 52.55 50.34 3cek s ASP 561 Cb -0.48 -0.65 0.47 0.00 -1.09 0.00 0.00 42.92 41.17 3cek s ASP 561 CO 0.33 -2.07 1.71 0.78 0.70 0.00 0.00 175.17 176.61 3cek h ASN 562 N -1.00 0.27 -0.49 2.11 2.35 -1.99 -0.83 115.58 116.01 3cek h ASN 562 Ca -0.43 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.11 3cek h ASN 562 Cb 1.28 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 3cek h ASN 562 CO 0.50 0.64 -0.09 -0.61 -1.65 0.00 0.00 177.43 176.22 3cek h GLN 563 N 0.22 0.92 0.01 0.81 -0.00 -1.99 -1.54 115.11 113.54 3cek h GLN 563 Ca 0.02 -0.34 -0.00 0.00 -0.00 0.00 0.00 58.65 58.34 3cek h GLN 563 Cb 0.78 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.20 3cek h GLN 563 CO 0.06 0.99 -0.00 1.15 0.00 0.00 0.00 178.83 181.03 3cek h THR 564 N 0.77 1.15 -0.71 2.39 2.02 -1.84 -1.89 112.91 114.79 3cek h THR 564 Ca 0.13 -0.45 0.12 0.00 0.77 0.00 0.00 66.41 66.98 3cek h THR 564 Cb 0.63 1.45 -0.09 0.00 -1.74 0.00 0.00 68.15 68.41 3cek h THR 564 CO 0.04 0.12 0.29 -0.07 0.37 0.00 0.00 175.52 176.27 3cek h LEU 565 N -0.20 0.29 -0.98 2.58 3.38 -1.13 -0.74 115.31 118.51 3cek h LEU 565 Ca -0.00 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 3cek h LEU 565 Cb 0.20 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3cek h LEU 565 CO 0.00 0.13 -0.39 -0.78 0.09 0.00 0.00 178.44 177.50 3cek h ASP 566 N 0.46 0.25 0.26 -0.43 1.82 -1.11 -1.07 116.42 116.59 3cek h ASP 566 Ca 0.38 -0.10 -0.16 0.00 -0.39 0.00 0.00 57.03 56.75 3cek h ASP 566 Cb 0.52 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 3cek h ASP 566 CO -0.36 0.62 -0.64 0.77 -1.61 0.00 0.00 179.24 178.02 3cek h SER 567 N 0.21 0.41 -0.16 2.28 4.64 -0.43 -0.75 113.55 119.75 3cek h SER 567 Ca 0.02 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 3cek h SER 567 Cb 0.78 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3cek h SER 567 CO 0.06 0.94 0.04 1.88 -0.87 0.00 0.00 176.83 178.89 3cek h TYR 568 N 0.26 0.27 -0.71 4.77 0.05 -0.94 -2.08 116.97 118.59 3cek h TYR 568 Ca -0.01 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 3cek h TYR 568 Cb 1.17 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.81 3cek h TYR 568 CO 0.03 0.39 0.29 0.00 -1.05 0.00 0.00 178.16 177.82 3cek h ARG 569 N 0.07 1.04 -0.30 4.88 3.08 -1.17 -2.04 114.38 119.95 3cek h ARG 569 Ca 0.05 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 3cek h ARG 569 Cb 0.25 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3cek h ARG 569 CO -0.00 0.83 0.04 -0.97 -1.07 0.00 0.00 179.97 178.81 3cek h ASN 570 N 1.02 0.48 -0.47 7.04 -0.73 -1.07 -1.97 115.58 119.87 3cek h ASN 570 Ca 0.24 -0.27 -0.06 0.00 1.87 0.00 0.00 56.30 58.08 3cek h ASN 570 Cb 0.18 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.62 3cek h ASN 570 CO -0.02 0.62 0.05 -0.08 -0.37 0.00 0.00 177.43 177.63 3cek h GLU 571 N 0.31 0.79 -0.67 6.67 4.81 -1.30 -2.31 114.58 122.87 3cek h GLU 571 Ca 0.09 -0.22 0.10 0.00 -0.13 0.00 0.00 59.36 59.20 3cek h GLU 571 Cb 0.35 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.57 3cek h GLU 571 CO 0.01 0.81 0.29 0.82 -0.73 0.00 0.00 179.01 180.20 3cek h ILE 572 N 0.65 0.77 -0.69 2.32 2.04 -1.36 -1.11 117.51 120.14 3cek h ILE 572 Ca 0.14 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 3cek h ILE 572 Cb 0.42 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3cek h ILE 572 CO 0.01 0.09 0.23 0.00 0.00 0.00 0.00 178.15 178.48 3cek h ALA 573 N 1.45 0.90 -0.26 1.87 0.00 -1.14 0.21 119.26 122.28 3cek h ALA 573 Ca 0.34 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3cek h ALA 573 Cb 0.43 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3cek h ALA 573 CO -0.31 0.56 -0.23 1.88 0.00 0.00 0.00 179.25 181.15 3cek h TYR 574 N 1.00 0.73 -0.05 0.00 -1.99 -1.29 -1.53 116.97 113.84 3cek h TYR 574 Ca 0.22 -0.21 0.03 0.00 2.00 0.00 0.00 58.73 60.78 3cek h TYR 574 Cb 0.28 -0.16 -0.04 0.00 2.00 0.00 0.00 36.73 38.81 3cek h TYR 574 CO 0.02 0.92 -0.18 1.25 -0.00 0.00 0.00 178.16 180.17 3cek h LEU 575 N 0.34 -0.53 -0.58 3.88 5.85 -1.10 0.63 115.31 123.80 3cek h LEU 575 Ca 0.05 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.93 3cek h LEU 575 Cb 0.78 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 3cek h LEU 575 CO 0.06 -0.23 0.24 -1.13 -0.34 0.00 0.00 178.44 177.03 3cek h ASN 576 N -0.26 0.27 -0.12 1.25 -0.00 -0.96 -2.09 115.58 113.67 3cek h ASN 576 Ca 0.07 0.06 -0.08 0.00 -0.00 0.00 0.00 56.30 56.36 3cek h ASN 576 Cb 0.36 0.03 0.00 0.00 -0.00 0.00 0.00 38.32 38.71 3cek h ASN 576 CO -0.21 0.17 -0.23 0.50 -0.00 0.00 0.00 177.43 177.66 3cek h LYS 577 N 0.44 0.36 0.00 6.67 3.64 -0.84 -3.25 116.57 123.59 3cek h LYS 577 Ca 0.28 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3cek h LYS 577 Cb 0.31 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3cek h LYS 577 CO -0.26 0.83 0.00 1.28 -2.27 0.00 0.00 179.45 179.03 3cek n LEU 578 N -4.48 0.26 -0.36 5.20 4.77 0.22 -3.19 117.00 119.42 3cek n LEU 578 Ca -0.07 0.56 -0.09 0.00 -0.03 0.00 0.00 56.01 56.38 3cek n LEU 578 Cb 0.43 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 3cek n LEU 578 CO 0.41 -0.32 0.42 0.00 -1.33 0.00 0.00 177.39 176.56 3cek n GLN 579 N -1.78 -0.37 0.04 3.23 1.13 -0.80 -1.76 117.38 117.07 3cek n GLN 579 Ca 0.03 1.30 0.12 0.00 -1.94 0.00 0.00 57.00 56.52 3cek n GLN 579 Cb 0.22 -1.92 0.47 0.00 0.11 0.00 0.00 30.24 29.12 3cek n GLN 579 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3cek n GLN 580 N -5.09 0.09 0.02 -1.09 3.00 -1.19 -3.30 117.38 109.81 3cek n GLN 580 Ca 0.02 0.18 0.04 0.00 -0.01 0.00 0.00 57.00 57.23 3cek n GLN 580 Cb 0.23 -1.62 -0.09 0.00 0.00 0.00 0.00 30.24 28.76 3cek n GLN 580 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3cek n HIS 581 N -1.78 0.61 -3.66 1.08 8.25 -0.72 -4.95 115.22 114.05 3cek n HIS 581 Ca 0.05 0.19 -0.14 0.00 -0.26 0.00 0.00 57.72 57.56 3cek n HIS 581 Cb 0.30 -0.90 -0.08 0.00 1.12 0.00 0.00 29.99 30.42 3cek n HIS 581 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3cek s SER 582 N -5.33 -0.62 0.00 0.41 0.15 -1.15 -5.00 113.70 102.16 3cek s SER 582 Ca -0.05 1.18 0.16 0.00 0.70 0.00 0.00 55.95 57.94 3cek s SER 582 Cb 0.10 1.19 0.64 0.00 -1.71 0.00 0.00 66.02 66.24 3cek s SER 582 CO 0.83 -0.23 1.46 -0.90 1.20 0.00 0.00 173.24 175.60 3cek n ASP 583 N 2.65 1.19 -1.03 5.45 5.75 -1.26 -3.57 116.55 125.73 3cek n ASP 583 Ca -0.14 -1.75 0.09 0.00 -0.01 0.00 0.00 54.79 52.98 3cek n ASP 583 Cb 0.56 -0.10 0.24 0.00 -1.03 0.00 0.00 41.12 40.79 3cek n ASP 583 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3cek n LYS 584 N 0.05 2.34 -4.28 0.11 4.76 -1.26 -4.72 118.16 115.16 3cek n LYS 584 Ca 0.13 -1.97 -0.34 0.00 -2.87 0.00 0.00 58.31 53.26 3cek n LYS 584 Cb 0.23 -1.46 -0.12 0.00 -1.84 0.00 0.00 35.03 31.85 3cek n LYS 584 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3cek s ILE 585 N -1.33 4.07 0.20 -0.18 -1.09 -1.23 -0.38 121.20 121.27 3cek s ILE 585 Ca 0.37 -0.29 -0.30 0.00 -2.23 0.00 0.00 60.65 58.20 3cek s ILE 585 Cb 0.20 -2.80 -0.16 0.00 -1.58 0.00 0.00 42.46 38.11 3cek s ILE 585 CO 0.24 0.48 0.80 0.00 -1.23 0.00 0.00 174.94 175.23 3cek n ILE 586 N 3.63 1.67 -2.59 2.92 3.06 -0.91 -4.90 119.36 122.25 3cek n ILE 586 Ca -0.17 -0.42 -0.41 0.00 -2.50 0.00 0.00 62.75 59.25 3cek n ILE 586 Cb 0.52 -0.41 -0.04 0.00 0.54 0.00 0.00 39.64 40.25 3cek n ILE 586 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 3cek s ARG 587 N -0.98 4.66 -0.28 9.51 1.81 -1.26 -4.90 118.95 127.51 3cek s ARG 587 Ca 0.66 1.64 -0.04 0.00 -1.72 0.00 0.00 55.73 56.27 3cek s ARG 587 Cb -0.88 -3.29 0.02 0.00 -0.45 0.00 0.00 34.95 30.35 3cek s ARG 587 CO 0.57 0.18 0.01 -1.17 -0.68 0.00 0.00 175.30 174.20 3cek s LEU 588 N -0.50 3.57 -0.09 2.53 2.96 -1.26 -1.60 118.68 124.29 3cek s LEU 588 Ca 0.47 -0.87 -0.06 0.00 -0.22 0.00 0.00 54.13 53.46 3cek s LEU 588 Cb -0.28 -1.76 -0.27 0.00 0.50 0.00 0.00 46.19 44.38 3cek s LEU 588 CO 0.34 -0.18 0.50 1.88 -1.32 0.00 0.00 176.35 177.58 3cek h TYR 589 N 8.10 0.51 -2.38 5.38 0.05 -0.41 -3.49 116.97 124.73 3cek h TYR 589 Ca -0.30 -0.37 0.14 0.00 0.05 0.00 0.00 58.73 58.24 3cek h TYR 589 Cb 1.11 -0.02 -0.11 0.00 1.01 0.00 0.00 36.73 38.72 3cek h TYR 589 CO 0.60 1.67 0.46 0.34 -1.05 0.00 0.00 178.16 180.18 3cek s ASP 590 N -7.03 -0.27 0.09 3.88 2.15 -1.09 -5.00 116.67 109.39 3cek s ASP 590 Ca -0.18 -0.25 -0.20 0.00 0.43 0.00 0.00 52.55 52.35 3cek s ASP 590 Cb 0.06 0.47 0.05 0.00 -0.30 0.00 0.00 42.92 43.20 3cek s ASP 590 CO 0.80 -0.82 0.49 -0.72 -0.17 0.00 0.00 175.17 174.75 3cek s TYR 591 N -3.28 -0.36 -0.12 -5.34 -0.85 -1.26 -0.02 117.35 106.12 3cek s TYR 591 Ca 0.09 0.26 -0.00 0.00 -0.52 0.00 0.00 57.07 56.90 3cek s TYR 591 Cb -0.01 0.34 0.02 0.00 0.38 0.00 0.00 41.96 42.69 3cek s TYR 591 CO -0.02 -0.68 -0.10 -2.00 -1.52 0.00 0.00 175.55 171.22 3cek s GLU 592 N -3.03 1.76 -0.10 -3.49 2.12 0.15 -4.85 118.70 111.26 3cek s GLU 592 Ca -0.02 -0.35 0.02 0.00 0.36 0.00 0.00 54.97 54.98 3cek s GLU 592 Cb -0.00 -1.73 0.01 0.00 0.26 0.00 0.00 34.13 32.67 3cek s GLU 592 CO -0.06 -0.24 -0.15 -1.50 -0.54 0.00 0.00 175.26 172.76 3cek s ILE 593 N 1.59 1.47 0.27 -3.70 2.07 -1.26 -0.62 121.20 121.02 3cek s ILE 593 Ca 0.04 -0.63 0.01 0.00 -1.41 0.00 0.00 60.65 58.66 3cek s ILE 593 Cb -0.13 -1.35 -0.01 0.00 0.13 0.00 0.00 42.46 41.11 3cek s ILE 593 CO -0.08 0.44 0.05 0.35 -1.91 0.00 0.00 174.94 173.78 3cek n THR 594 N 4.15 0.00 0.53 4.00 -2.24 -0.35 -5.03 114.28 115.34 3cek n THR 594 Ca -0.19 -1.42 0.13 0.00 -2.27 0.00 0.00 64.05 60.29 3cek n THR 594 Cb 0.51 0.42 0.44 0.00 -2.10 0.00 0.00 70.33 69.60 3cek n THR 594 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3cek n ASP 595 N -1.51 0.76 -0.09 3.42 8.00 -1.26 -3.73 116.55 122.15 3cek n ASP 595 Ca -0.07 0.62 -0.11 0.00 0.71 0.00 0.00 54.79 55.93 3cek n ASP 595 Cb 0.37 -0.80 -0.15 0.00 -0.02 0.00 0.00 41.12 40.52 3cek n ASP 595 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cek n GLN 596 N -2.26 0.68 -3.46 -1.24 3.00 -1.26 -4.64 117.38 108.20 3cek n GLN 596 Ca 0.04 0.08 -0.13 0.00 -0.01 0.00 0.00 57.00 56.98 3cek n GLN 596 Cb 0.35 -1.58 -0.03 0.00 0.00 0.00 0.00 30.24 28.98 3cek n GLN 596 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 3cek s TYR 597 N -2.52 -0.52 -0.13 1.08 -0.85 -1.24 -0.58 117.35 112.59 3cek s TYR 597 Ca -0.13 0.38 -0.00 0.00 -0.52 0.00 0.00 57.07 56.80 3cek s TYR 597 Cb 0.07 0.50 -0.02 0.00 0.38 0.00 0.00 41.96 42.90 3cek s TYR 597 CO 0.80 -0.80 -0.13 0.42 -1.52 0.00 0.00 175.55 174.32 3cek s ILE 598 N -3.41 3.06 -0.17 -3.49 1.01 -0.12 -1.22 121.20 116.86 3cek s ILE 598 Ca -0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 3cek s ILE 598 Cb -0.01 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 3cek s ILE 598 CO -0.10 0.53 -0.02 -0.31 0.00 0.00 0.00 174.94 175.04 3cek s TYR 599 N 0.30 3.05 -0.15 3.97 2.02 0.21 -0.97 117.35 125.77 3cek s TYR 599 Ca -0.10 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.30 3cek s TYR 599 Cb -0.16 -2.01 0.02 0.00 -0.40 0.00 0.00 41.96 39.41 3cek s TYR 599 CO 0.05 -0.08 -0.18 -1.64 -1.57 0.00 0.00 175.55 172.14 3cek s MET 600 N 0.55 2.71 -0.33 -0.62 -1.94 -0.31 -0.67 119.30 118.69 3cek s MET 600 Ca -0.02 -0.73 -0.18 0.00 -1.71 0.00 0.00 55.69 53.06 3cek s MET 600 Cb -0.14 -2.32 -0.01 0.00 2.01 0.00 0.00 34.83 34.36 3cek s MET 600 CO 0.02 -0.15 0.50 0.08 -0.01 0.00 0.00 175.02 175.46 3cek s VAL 601 N 1.19 5.04 0.27 -6.03 1.01 0.98 -1.48 120.40 121.39 3cek s VAL 601 Ca 0.01 0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.47 3cek s VAL 601 Cb -0.14 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 3cek s VAL 601 CO -0.08 -0.13 0.02 -0.04 0.00 0.00 0.00 175.10 174.87 3cek s MET 602 N 2.34 1.49 0.27 2.72 -1.94 0.66 0.39 119.30 125.23 3cek s MET 602 Ca 0.19 -1.78 -0.30 0.00 -1.71 0.00 0.00 55.69 52.08 3cek s MET 602 Cb -0.16 -0.77 -0.13 0.00 2.01 0.00 0.00 34.83 35.79 3cek s MET 602 CO 0.12 -0.12 1.46 -1.91 -0.01 0.00 0.00 175.02 174.56 3cek n GLU 603 N -0.54 2.30 -3.32 2.03 2.13 -0.63 -1.13 120.64 121.48 3cek n GLU 603 Ca -0.04 0.82 -0.38 0.00 0.66 0.00 0.00 57.16 58.22 3cek n GLU 603 Cb 0.65 -2.51 -0.06 0.00 0.27 0.00 0.00 31.44 29.79 3cek n GLU 603 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3cek s GLY 605 N 0.43 1.97 -0.03 0.00 0.00 -1.26 -4.92 107.32 103.51 3cek s GLY 605 Ca 0.26 -0.66 -0.24 0.00 0.00 0.00 0.00 44.72 44.08 3cek s GLY 605 CO 0.11 -0.58 1.12 3.43 0.00 0.00 0.00 173.10 177.18 3cek h ASN 606 N 2.21 -0.13 -3.64 1.64 2.35 -1.51 -3.48 115.58 113.01 3cek h ASN 606 Ca -0.47 -0.40 0.06 0.00 -0.55 0.00 0.00 56.30 54.95 3cek h ASN 606 Cb 1.18 0.03 -0.25 0.00 0.05 0.00 0.00 38.32 39.34 3cek h ASN 606 CO 0.69 0.37 0.48 -0.51 -1.65 0.00 0.00 177.43 176.81 3cek s ILE 607 N -4.00 0.00 0.56 2.81 2.07 -1.22 -5.02 121.20 116.40 3cek s ILE 607 Ca -0.15 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 58.93 3cek s ILE 607 Cb 0.01 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.55 3cek s ILE 607 CO 0.58 0.00 1.04 1.51 -1.91 0.00 0.00 174.94 176.16 3cek s ASP 608 N -0.37 6.03 0.25 4.50 -4.77 -1.26 -0.29 116.67 120.76 3cek s ASP 608 Ca 0.01 1.77 -0.06 0.00 -3.30 0.00 0.00 52.55 50.97 3cek s ASP 608 Cb -0.03 -2.53 0.26 0.00 -1.09 0.00 0.00 42.92 39.53 3cek s ASP 608 CO -0.02 -0.99 1.93 0.25 0.70 0.00 0.00 175.17 177.03 3cek h LEU 609 N 0.67 1.15 -0.82 2.11 5.85 -1.20 -1.98 115.31 121.09 3cek h LEU 609 Ca -0.47 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.21 3cek h LEU 609 Cb 1.21 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 3cek h LEU 609 CO 0.58 0.84 0.50 -1.13 -0.34 0.00 0.00 178.44 178.89 3cek h ASN 610 N 1.36 0.98 -0.46 1.25 -1.24 -1.83 -0.05 115.58 115.59 3cek h ASN 610 Ca 0.36 -0.06 -0.13 0.00 0.71 0.00 0.00 56.30 57.19 3cek h ASN 610 Cb -0.15 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.64 3cek h ASN 610 CO -0.08 0.75 -0.21 0.28 -1.29 0.00 0.00 177.43 176.89 3cek h SER 611 N 1.12 0.98 -0.77 1.15 0.02 -1.87 -2.48 113.55 111.71 3cek h SER 611 Ca 0.29 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 3cek h SER 611 Cb -0.05 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.18 3cek h SER 611 CO -0.06 1.16 0.40 -0.25 -1.14 0.00 0.00 176.83 176.95 3cek h TRP 612 N 0.80 1.09 -0.15 3.45 7.01 -1.09 -2.14 115.95 124.91 3cek h TRP 612 Ca 0.10 -0.03 -0.21 0.00 2.11 0.00 0.00 58.89 60.86 3cek h TRP 612 Cb 0.78 -0.34 0.01 0.00 -2.10 0.00 0.00 29.16 27.50 3cek h TRP 612 CO 0.05 0.77 -0.74 -0.07 -2.79 0.00 0.00 178.44 175.67 3cek h LEU 613 N 1.10 0.83 -0.93 0.65 3.38 -0.96 0.05 115.31 119.44 3cek h LEU 613 Ca 0.27 -0.53 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3cek h LEU 613 Cb 0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3cek h LEU 613 CO -0.04 1.32 0.33 0.11 0.09 0.00 0.00 178.44 180.25 3cek h LYS 614 N 0.49 1.11 0.08 1.13 1.57 -1.32 -3.18 116.57 116.44 3cek h LYS 614 Ca -0.04 -0.17 -0.27 0.00 -1.87 0.00 0.00 60.65 58.29 3cek h LYS 614 Cb 1.35 -0.19 0.02 0.00 0.08 0.00 0.00 32.23 33.49 3cek h LYS 614 CO 0.15 0.87 -1.15 0.87 -0.57 0.00 0.00 179.45 179.63 3cek h LYS 615 N 1.09 0.52 -6.45 3.15 1.57 -1.28 -3.45 116.57 111.73 3cek h LYS 615 Ca 0.26 -0.67 -0.54 0.00 -1.87 0.00 0.00 60.65 57.83 3cek h LYS 615 Cb 0.16 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3cek h LYS 615 CO -0.03 1.28 0.71 0.21 -0.57 0.00 0.00 179.45 181.05 3cek s LYS 616 N -3.05 4.34 0.00 3.15 2.47 -0.00 -4.97 119.74 121.67 3cek s LYS 616 Ca -0.08 1.91 0.00 0.00 -1.56 0.00 0.00 55.97 56.25 3cek s LYS 616 Cb 0.07 -3.42 0.00 0.00 -1.46 0.00 0.00 37.83 33.02 3cek s LYS 616 CO 0.91 -0.43 0.42 0.36 0.16 0.00 0.00 175.35 176.76 3cek n LYS 617 N 4.55 0.00 -4.23 4.03 2.85 -1.26 -4.89 118.16 119.21 3cek n LYS 617 Ca 0.11 0.12 -0.23 0.00 -1.05 0.00 0.00 58.31 57.26 3cek n LYS 617 Cb 0.44 -0.96 -0.07 0.00 -0.65 0.00 0.00 35.03 33.80 3cek n LYS 617 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3cek s SER 618 N -1.83 4.69 -0.08 -5.58 1.04 -1.26 -5.07 113.70 105.62 3cek s SER 618 Ca 0.00 -0.63 -0.00 0.00 0.48 0.00 0.00 55.95 55.80 3cek s SER 618 Cb 0.00 -0.89 -0.03 0.00 0.10 0.00 0.00 66.02 65.20 3cek s SER 618 CO 0.00 -0.08 -0.05 -0.63 0.98 0.00 0.00 173.24 173.47 3cek s ILE 619 N -2.33 3.88 0.10 -1.02 1.01 -1.26 -5.09 121.20 116.49 3cek s ILE 619 Ca 0.33 -0.41 -0.31 0.00 0.00 0.00 0.00 60.65 60.26 3cek s ILE 619 Cb -0.06 -2.61 -0.09 0.00 0.01 0.00 0.00 42.46 39.71 3cek s ILE 619 CO 0.21 0.59 1.68 -0.62 0.00 0.00 0.00 174.94 176.80 3cek s ASP 620 N -0.73 6.56 0.47 3.58 2.15 -1.26 -4.91 116.67 122.53 3cek s ASP 620 Ca 0.11 2.57 0.24 0.00 0.43 0.00 0.00 52.55 55.91 3cek s ASP 620 Cb -0.11 -2.57 1.28 0.00 -0.30 0.00 0.00 42.92 41.22 3cek s ASP 620 CO 0.02 -0.90 1.87 -0.65 -0.17 0.00 0.00 175.17 175.33 3cek h PRO 621 N 8.09 0.20 -0.22 4.34 0.11 -1.98 0.62 132.00 143.17 3cek h PRO 621 Ca -0.43 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 3cek h PRO 621 Cb 1.20 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3cek h PRO 621 CO 0.93 0.13 -0.32 2.35 -0.21 0.00 0.00 178.00 180.88 3cek h TRP 622 N 0.21 0.74 -0.42 0.65 7.01 -1.99 -1.50 115.95 120.65 3cek h TRP 622 Ca 0.46 -0.25 -0.05 0.00 2.11 0.00 0.00 58.89 61.15 3cek h TRP 622 Cb 1.46 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 28.36 3cek h TRP 622 CO -0.00 0.98 0.05 1.49 -2.79 0.00 0.00 178.44 178.18 3cek h GLU 623 N 0.29 0.70 -0.20 2.65 4.81 -1.68 -0.77 114.58 120.37 3cek h GLU 623 Ca 0.02 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3cek h GLU 623 Cb 0.91 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 3cek h GLU 623 CO 0.07 0.75 0.13 -0.09 -0.73 0.00 0.00 179.01 179.14 3cek h ARG 624 N 0.55 0.27 -0.63 1.92 2.43 -0.92 -0.02 114.38 117.99 3cek h ARG 624 Ca 0.13 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3cek h ARG 624 Cb 0.40 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3cek h ARG 624 CO 0.01 0.21 0.24 -0.22 -1.51 0.00 0.00 179.97 178.70 3cek h LYS 625 N 0.25 0.93 -0.26 0.20 3.64 -1.21 -1.12 116.57 119.00 3cek h LYS 625 Ca 0.07 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 3cek h LYS 625 Cb 0.00 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3cek h LYS 625 CO -0.01 0.77 -0.03 1.03 -2.27 0.00 0.00 179.45 178.93 3cek h SER 626 N 0.91 0.48 -0.46 4.20 0.87 -0.80 -1.93 113.55 116.81 3cek h SER 626 Ca 0.21 -0.33 -0.04 0.00 -1.23 0.00 0.00 61.79 60.40 3cek h SER 626 Cb 0.19 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3cek h SER 626 CO -0.02 0.70 0.14 1.88 -0.53 0.00 0.00 176.83 179.01 3cek h TYR 627 N 0.25 0.74 -0.57 2.24 0.05 -0.91 -2.24 116.97 116.55 3cek h TYR 627 Ca 0.07 -0.08 0.08 0.00 0.05 0.00 0.00 58.73 58.86 3cek h TYR 627 Cb 0.47 -0.21 -0.07 0.00 1.01 0.00 0.00 36.73 37.93 3cek h TYR 627 CO 0.04 0.66 0.21 2.35 -1.05 0.00 0.00 178.16 180.38 3cek h TRP 628 N 0.61 0.37 -0.55 4.88 2.91 -1.19 0.85 115.95 123.82 3cek h TRP 628 Ca 0.15 0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.26 3cek h TRP 628 Cb 0.27 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 28.79 3cek h TRP 628 CO 0.01 0.11 0.26 0.87 -1.03 0.00 0.00 178.44 178.66 3cek h LYS 629 N 0.39 0.48 -0.18 2.65 1.57 -1.10 -1.31 116.57 119.08 3cek h LYS 629 Ca 0.28 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3cek h LYS 629 Cb 0.32 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3cek h LYS 629 CO -0.28 0.32 0.12 -0.91 -0.57 0.00 0.00 179.45 178.13 3cek h ASN 630 N 0.50 0.21 -0.25 0.86 -0.26 -0.80 -0.74 115.58 115.10 3cek h ASN 630 Ca 0.25 -0.01 0.04 0.00 -0.56 0.00 0.00 56.30 56.02 3cek h ASN 630 Cb 0.20 -0.05 -0.04 0.00 -1.06 0.00 0.00 38.32 37.37 3cek h ASN 630 CO -0.20 0.16 0.02 0.24 -1.06 0.00 0.00 177.43 176.60 3cek h MET 631 N 0.25 0.11 -0.56 0.81 2.86 -0.60 -1.98 114.93 115.82 3cek h MET 631 Ca 0.07 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.76 3cek h MET 631 Cb -0.02 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 3cek h MET 631 CO -0.01 0.07 0.27 -0.07 1.06 0.00 0.00 176.91 178.23 3cek h LEU 632 N 0.11 0.37 -0.69 1.22 3.38 -1.17 -1.52 115.31 117.01 3cek h LEU 632 Ca 0.12 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 3cek h LEU 632 Cb 0.14 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3cek h LEU 632 CO -0.18 0.25 0.16 -0.08 0.09 0.00 0.00 178.44 178.68 3cek h GLU 633 N 0.51 1.10 0.03 1.13 4.81 -0.97 -1.21 114.58 119.99 3cek h GLU 633 Ca 0.25 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3cek h GLU 633 Cb 0.20 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3cek h GLU 633 CO -0.19 0.98 -0.01 0.00 -0.73 0.00 0.00 179.01 179.06 3cek h ALA 634 N 1.07 -0.04 -0.38 2.92 0.00 -1.19 -2.45 119.26 119.19 3cek h ALA 634 Ca 0.21 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3cek h ALA 634 Cb 0.38 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3cek h ALA 634 CO 0.00 -0.38 -0.08 0.28 0.00 0.00 0.00 179.25 179.07 3cek h VAL 635 N -0.31 1.27 -0.77 0.00 2.07 -1.30 -2.65 116.25 114.57 3cek h VAL 635 Ca -0.00 -1.16 0.18 0.00 0.82 0.00 0.00 66.70 66.53 3cek h VAL 635 Cb 0.29 1.24 -0.12 0.00 -1.52 0.00 0.00 31.29 31.18 3cek h VAL 635 CO 0.01 0.39 0.18 -0.74 0.02 0.00 0.00 177.57 177.42 3cek h HIS 636 N 0.54 0.28 -0.01 1.57 6.17 -1.28 -0.97 115.15 121.45 3cek h HIS 636 Ca 0.10 0.05 0.01 0.00 0.71 0.00 0.00 60.37 61.23 3cek h HIS 636 Cb 0.60 -0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.51 3cek h HIS 636 CO 0.05 -0.11 -0.05 1.15 0.71 0.00 0.00 177.93 179.68 3cek h THR 637 N 0.25 0.88 -0.32 6.26 2.02 -1.12 -1.29 112.91 119.59 3cek h THR 637 Ca 0.44 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.54 3cek h THR 637 Cb 0.79 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 3cek h THR 637 CO -0.55 0.00 -0.16 0.16 0.37 0.00 0.00 175.52 175.34 3cek h ILE 638 N -0.08 1.25 -0.60 3.11 3.07 -1.14 -2.32 117.51 120.80 3cek h ILE 638 Ca 0.02 -1.16 -0.02 0.00 1.55 0.00 0.00 64.86 65.26 3cek h ILE 638 Cb 0.11 1.18 -0.03 0.00 -0.27 0.00 0.00 36.82 37.81 3cek h ILE 638 CO -0.05 0.38 0.30 0.45 -1.05 0.00 0.00 178.15 178.17 3cek h HIS 639 N 0.53 0.83 0.00 0.16 3.86 -0.95 -1.18 115.15 118.41 3cek h HIS 639 Ca 0.09 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3cek h HIS 639 Cb 0.59 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.79 3cek h HIS 639 CO 0.02 0.61 -0.05 1.96 0.86 0.00 0.00 177.93 181.33 3cek h GLN 640 N 0.85 0.00 -0.68 2.45 4.20 -0.66 -1.35 115.11 119.92 3cek h GLN 640 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3cek h GLN 640 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3cek h GLN 640 CO -0.03 0.05 0.00 0.72 -0.67 0.00 0.00 178.83 178.90 3cek n HIS 641 N -3.29 1.24 -0.79 2.96 8.25 -0.88 -4.97 115.22 117.75 3cek n HIS 641 Ca -0.01 -0.56 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 3cek n HIS 641 Cb 0.21 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3cek n HIS 641 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cek n GLY 642 N 1.35 0.53 3.47 -1.41 0.00 -0.51 -5.05 105.19 103.59 3cek n GLY 642 Ca 0.25 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 3cek n GLY 642 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cek s ILE 643 N -2.00 4.68 -0.23 -0.61 1.01 -0.50 -4.99 121.20 118.56 3cek s ILE 643 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 60.65 60.29 3cek s ILE 643 Cb 0.00 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 3cek s ILE 643 CO 0.00 0.18 0.32 -0.69 0.00 0.00 0.00 174.94 174.75 3cek s VAL 644 N 1.65 5.24 0.04 2.92 1.01 -1.26 -3.27 120.40 126.73 3cek s VAL 644 Ca 0.06 0.51 -0.28 0.00 0.00 0.00 0.00 61.98 62.27 3cek s VAL 644 Cb -0.16 -3.65 -0.17 0.00 0.00 0.00 0.00 36.38 32.40 3cek s VAL 644 CO 0.07 0.26 1.40 -0.74 0.00 0.00 0.00 175.10 176.08 3cek h HIS 645 N 7.63 -0.57 0.00 5.22 2.76 -1.95 -3.48 115.15 124.77 3cek h HIS 645 Ca -0.36 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 3cek h HIS 645 Cb 1.17 0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.31 3cek h HIS 645 CO 0.70 -0.27 0.00 -1.13 -1.30 0.00 0.00 177.93 175.93 3cek n SER 646 N -5.28 0.00 -2.76 3.26 3.41 -1.26 -4.60 113.62 106.40 3cek n SER 646 Ca -0.11 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.47 3cek n SER 646 Cb 0.29 -0.11 0.07 0.00 -0.26 0.00 0.00 64.21 64.20 3cek n SER 646 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3cek n ASP 647 N 0.00 0.65 -4.73 4.04 2.03 -1.26 -4.98 116.55 112.30 3cek n ASP 647 Ca 0.00 -2.25 -0.41 0.00 0.52 0.00 0.00 54.79 52.65 3cek n ASP 647 Cb 0.00 -0.14 -0.03 0.00 -0.72 0.00 0.00 41.12 40.23 3cek n ASP 647 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3cek s LEU 648 N -3.67 4.43 0.15 -2.67 1.43 -1.26 -4.97 118.68 112.12 3cek s LEU 648 Ca 0.23 2.25 -0.11 0.00 -1.03 0.00 0.00 54.13 55.47 3cek s LEU 648 Cb 0.38 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 43.00 3cek s LEU 648 CO -0.04 -0.42 0.31 -0.54 0.23 0.00 0.00 176.35 175.89 3cek s LYS 649 N -0.02 1.13 0.34 1.70 1.02 -1.26 -4.84 119.74 117.80 3cek s LYS 649 Ca 0.55 -1.05 0.07 0.00 0.02 0.00 0.00 55.97 55.55 3cek s LYS 649 Cb -0.33 0.40 0.74 0.00 -0.52 0.00 0.00 37.83 38.12 3cek s LYS 649 CO 0.36 -0.42 1.87 -1.35 -0.92 0.00 0.00 175.35 174.88 3cek h PRO 650 N 2.51 0.76 0.00 -1.68 0.11 -1.95 -1.76 132.00 129.99 3cek h PRO 650 Ca -0.32 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3cek h PRO 650 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3cek h PRO 650 CO 0.48 0.50 0.05 0.00 -0.21 0.00 0.00 178.00 178.82 3cek h ALA 651 N 1.58 1.04 0.00 -0.75 0.00 -1.94 -0.93 119.26 118.26 3cek h ALA 651 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3cek h ALA 651 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3cek h ALA 651 CO -0.22 -0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.09 3cek n ASN 652 N -2.52 0.00 -4.41 0.00 4.13 -0.66 -4.79 115.26 107.00 3cek n ASN 652 Ca -0.02 -0.03 -0.32 0.00 1.68 0.00 0.00 54.58 55.90 3cek n ASN 652 Cb 0.09 -0.32 -0.14 0.00 -1.54 0.00 0.00 39.78 37.88 3cek n ASN 652 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3cek s PHE 653 N -2.63 2.54 -0.05 3.10 0.08 -0.35 -1.09 117.98 119.58 3cek s PHE 653 Ca 0.25 -0.28 0.06 0.00 0.12 0.00 0.00 56.93 57.08 3cek s PHE 653 Cb 0.19 -1.55 -0.01 0.00 -0.57 0.00 0.00 43.02 41.08 3cek s PHE 653 CO 0.44 0.13 -0.23 -1.17 -0.10 0.00 0.00 175.22 174.28 3cek s LEU 654 N -0.85 2.02 -0.31 -0.37 2.96 -0.13 -1.11 118.68 120.90 3cek s LEU 654 Ca 0.12 -0.47 -0.25 0.00 -0.22 0.00 0.00 54.13 53.31 3cek s LEU 654 Cb -0.10 -1.26 0.01 0.00 0.50 0.00 0.00 46.19 45.33 3cek s LEU 654 CO 0.01 0.22 0.88 -0.63 -1.32 0.00 0.00 176.35 175.51 3cek s ILE 655 N -0.10 4.71 -0.21 6.68 1.01 0.60 -0.56 121.20 133.33 3cek s ILE 655 Ca -0.04 1.38 -0.02 0.00 0.00 0.00 0.00 60.65 61.98 3cek s ILE 655 Cb -0.13 -4.23 0.06 0.00 0.01 0.00 0.00 42.46 38.17 3cek s ILE 655 CO 0.03 -0.31 0.01 -0.69 0.00 0.00 0.00 174.94 173.98 3cek s VAL 656 N 3.16 0.83 -0.66 2.92 1.01 0.74 -1.11 120.40 127.30 3cek s VAL 656 Ca 0.37 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 3cek s VAL 656 Cb -0.14 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.97 3cek s VAL 656 CO 0.13 -0.19 0.54 0.47 0.00 0.00 0.00 175.10 176.05 3cek n ASP 657 N 4.93 -4.06 -0.51 3.32 9.92 -1.26 -1.90 116.55 126.99 3cek n ASP 657 Ca -0.10 -0.24 -0.07 0.00 -0.53 0.00 0.00 54.79 53.85 3cek n ASP 657 Cb 0.46 -2.66 -0.03 0.00 -0.64 0.00 0.00 41.12 38.25 3cek n ASP 657 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cek n GLY 658 N -1.21 0.75 3.14 0.44 0.00 -1.26 -4.99 105.19 102.05 3cek n GLY 658 Ca -0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 3cek n GLY 658 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3cek s MET 659 N -2.29 1.69 0.03 1.61 -2.45 -0.80 -4.98 119.30 112.12 3cek s MET 659 Ca 0.00 -0.61 -0.26 0.00 -1.25 0.00 0.00 55.69 53.57 3cek s MET 659 Cb 0.00 -1.50 -0.05 0.00 1.25 0.00 0.00 34.83 34.53 3cek s MET 659 CO 0.00 0.27 0.83 -0.51 1.05 0.00 0.00 175.02 176.66 3cek s LEU 660 N -0.06 4.42 -0.04 4.11 1.43 -1.26 -0.19 118.68 127.10 3cek s LEU 660 Ca -0.01 1.50 0.05 0.00 -1.03 0.00 0.00 54.13 54.63 3cek s LEU 660 Cb -0.10 -3.33 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 3cek s LEU 660 CO 0.02 -0.07 -0.17 -0.54 0.23 0.00 0.00 176.35 175.81 3cek s LYS 661 N 0.30 1.71 -0.04 1.70 1.02 0.27 -4.71 119.74 120.00 3cek s LYS 661 Ca 0.42 -0.62 -0.30 0.00 0.02 0.00 0.00 55.97 55.49 3cek s LYS 661 Cb -0.21 -1.53 -0.04 0.00 -0.52 0.00 0.00 37.83 35.54 3cek s LYS 661 CO 0.24 0.28 1.27 -1.17 -0.92 0.00 0.00 175.35 175.06 3cek s LEU 662 N -0.08 4.29 0.01 3.17 2.96 0.49 -0.96 118.68 128.56 3cek s LEU 662 Ca -0.01 1.91 0.22 0.00 -0.22 0.00 0.00 54.13 56.03 3cek s LEU 662 Cb -0.10 -3.56 -0.17 0.00 0.50 0.00 0.00 46.19 42.86 3cek s LEU 662 CO 0.01 -0.64 0.82 2.30 -1.32 0.00 0.00 176.35 177.53 3cek n ILE 663 N 4.68 0.05 -3.79 6.68 -5.35 -0.25 -2.14 119.36 119.25 3cek n ILE 663 Ca 0.12 -0.22 -0.13 0.00 -0.27 0.00 0.00 62.75 62.25 3cek n ILE 663 Cb 0.45 0.45 -0.11 0.00 -1.74 0.00 0.00 39.64 38.69 3cek n ILE 663 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3cek s ASP 664 N -3.74 -0.23 0.00 7.28 2.15 -1.26 -4.94 116.67 115.93 3cek s ASP 664 Ca 0.02 0.40 0.15 0.00 0.43 0.00 0.00 52.55 53.55 3cek s ASP 664 Cb 0.15 0.48 0.09 0.00 -0.30 0.00 0.00 42.92 43.34 3cek s ASP 664 CO 0.86 -0.16 0.94 0.49 -0.17 0.00 0.00 175.17 177.12 3cek n PHE 665 N 2.58 0.00 -0.88 -5.34 3.72 -1.26 -5.00 117.46 111.28 3cek n PHE 665 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3cek n PHE 665 Cb 0.58 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 3cek n PHE 665 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cek n GLY 666 N 0.89 0.60 0.07 1.37 0.00 -1.26 -4.41 105.19 102.45 3cek n GLY 666 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 3cek n GLY 666 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3cek h ILE 667 N 0.00 0.13 0.02 -0.61 2.04 -1.92 -3.40 117.51 113.77 3cek h ILE 667 Ca 0.00 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.70 3cek h ILE 667 Cb 0.00 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3cek h ILE 667 CO 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 178.15 178.19 3cek h ALA 668 N -0.93 -0.02 -0.30 1.87 0.00 -1.92 -3.38 119.26 114.58 3cek h ALA 668 Ca -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3cek h ALA 668 Cb 0.54 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3cek h ALA 668 CO -0.02 -0.29 0.10 -0.97 0.00 0.00 0.00 179.25 178.06 3cek h ASN 669 N -0.46 0.43 0.00 0.00 -1.24 -1.92 -3.45 115.58 108.94 3cek h ASN 669 Ca -0.00 -0.20 0.00 0.00 0.71 0.00 0.00 56.30 56.81 3cek h ASN 669 Cb 0.44 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.38 3cek h ASN 669 CO 0.00 0.52 0.00 1.67 -1.29 0.00 0.00 177.43 178.33 3cek n GLN 670 N -4.70 0.00 0.00 6.67 7.27 -1.26 -5.13 117.38 120.23 3cek n GLN 670 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 3cek n GLN 670 Cb 0.16 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.81 3cek n GLN 670 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3cek n GLY 685 N 0.00 0.00 0.48 1.69 0.00 -1.26 -5.19 105.19 100.91 3cek n GLY 685 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3cek n GLY 685 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cek n THR 686 N 0.00 0.00 0.30 2.61 -2.24 -1.26 -4.73 114.28 108.97 3cek n THR 686 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 3cek n THR 686 Cb 0.00 -0.26 0.62 0.00 -2.10 0.00 0.00 70.33 68.59 3cek n THR 686 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3cek h VAL 687 N 0.00 0.00 0.00 2.28 2.07 -2.01 -3.34 116.25 115.25 3cek h VAL 687 Ca 0.00 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3cek h VAL 687 Cb 0.21 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3cek h VAL 687 CO 0.00 0.00 -0.11 0.78 0.02 0.00 0.00 177.57 178.26 3cek h ASN 688 N 0.00 0.00 -0.01 0.57 2.35 -1.98 -2.85 115.58 113.66 3cek h ASN 688 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3cek h ASN 688 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3cek h ASN 688 CO 0.00 0.11 -0.22 -1.22 -1.65 0.00 0.00 177.43 174.45 3cek n TYR 689 N -3.26 0.00 -2.14 1.19 4.01 -1.25 -4.76 117.16 110.95 3cek n TYR 689 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 3cek n TYR 689 Cb 0.36 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 3cek n TYR 689 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3cek s MET 690 N -2.23 4.28 0.47 -0.72 1.75 -1.08 -4.15 119.30 117.62 3cek s MET 690 Ca 0.24 2.09 -0.19 0.00 -1.25 0.00 0.00 55.69 56.58 3cek s MET 690 Cb 0.19 -3.43 -0.10 0.00 2.84 0.00 0.00 34.83 34.33 3cek s MET 690 CO 0.43 -0.55 0.97 -1.25 -0.65 0.00 0.00 175.02 173.97 3cek s PRO 691 N 1.89 4.08 0.40 4.11 0.04 -1.26 -4.96 135.00 139.29 3cek s PRO 691 Ca 0.66 1.10 0.08 0.00 0.04 0.00 0.00 61.00 62.88 3cek s PRO 691 Cb -0.36 -2.15 0.85 0.00 0.04 0.00 0.00 34.50 32.88 3cek s PRO 691 CO 0.29 -0.17 2.01 -1.00 0.04 0.00 0.00 177.00 178.17 3cek h PRO 692 N 1.54 0.58 0.00 0.56 0.13 -1.87 -1.48 132.00 131.47 3cek h PRO 692 Ca -0.48 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.58 3cek h PRO 692 Cb 1.19 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 3cek h PRO 692 CO 0.61 0.39 -0.15 1.05 -0.23 0.00 0.00 178.00 179.66 3cek h GLU 693 N 0.60 0.00 -0.28 0.86 9.09 -1.93 0.25 114.58 123.18 3cek h GLU 693 Ca 0.24 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.48 3cek h GLU 693 Cb 0.19 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.28 3cek h GLU 693 CO -0.07 0.15 -0.51 0.00 0.05 0.00 0.00 179.01 178.64 3cek h ALA 694 N 1.85 0.58 -0.19 1.06 0.00 -1.62 -2.66 119.26 118.29 3cek h ALA 694 Ca -0.00 -0.50 -0.21 0.00 0.00 0.00 0.00 54.91 54.21 3cek h ALA 694 Cb 0.71 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3cek h ALA 694 CO 0.02 0.68 -0.68 0.82 0.00 0.00 0.00 179.25 180.09 3cek h ILE 695 N 0.61 1.28 0.00 0.00 2.04 -1.30 -2.97 117.51 117.17 3cek h ILE 695 Ca 0.02 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.00 3cek h ILE 695 Cb 1.09 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 3cek h ILE 695 CO 0.11 0.60 0.00 0.11 0.00 0.00 0.00 178.15 178.97 3cek h LYS 696 N 0.54 0.00 0.00 2.37 1.57 -1.04 -2.95 116.57 117.06 3cek h LYS 696 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3cek h LYS 696 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3cek h LYS 696 CO 0.14 0.00 0.00 -3.47 -0.57 0.00 0.00 179.45 175.55 3cek n ASP 697 N -2.35 0.00 -2.71 0.86 2.03 -1.00 -5.07 116.55 108.31 3cek n ASP 697 Ca 0.02 -1.07 -0.31 0.00 0.52 0.00 0.00 54.79 53.95 3cek n ASP 697 Cb 0.26 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.67 3cek n ASP 697 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 3cek n MET 698 N -0.79 3.35 0.00 -0.67 1.56 -1.12 -5.05 117.12 114.39 3cek n MET 698 Ca 0.11 -4.32 0.00 0.00 -0.27 0.00 0.00 57.70 53.22 3cek n MET 698 Cb 0.05 -2.27 0.00 0.00 2.15 0.00 0.00 33.22 33.15 3cek n MET 698 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 3cek n SER 709 N -0.44 0.00 0.18 6.12 3.41 -1.26 -5.18 113.62 116.45 3cek n SER 709 Ca 0.42 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 59.16 3cek n SER 709 Cb 0.50 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.75 3cek n SER 709 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3cek h LYS 710 N 0.00 0.00 -6.22 4.33 6.56 -1.97 -3.45 116.57 115.82 3cek h LYS 710 Ca 0.00 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 59.03 3cek h LYS 710 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.63 3cek h LYS 710 CO 0.00 0.00 0.88 0.42 -2.06 0.00 0.00 179.45 178.69 3cek s ILE 711 N -3.20 4.12 0.38 1.86 1.09 -1.26 -4.90 121.20 119.29 3cek s ILE 711 Ca 0.08 1.40 0.06 0.00 -1.10 0.00 0.00 60.65 61.08 3cek s ILE 711 Cb 0.08 -3.90 -0.02 0.00 -1.06 0.00 0.00 42.46 37.56 3cek s ILE 711 CO 0.62 -0.08 0.21 -1.54 -0.10 0.00 0.00 174.94 174.05 3cek n SER 712 N 6.24 0.40 -0.17 3.58 3.41 -1.26 -4.99 113.62 120.82 3cek n SER 712 Ca 0.14 -3.22 0.25 0.00 -0.26 0.00 0.00 58.87 55.78 3cek n SER 712 Cb 0.45 1.33 0.66 0.00 -0.26 0.00 0.00 64.21 66.39 3cek n SER 712 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3cek h PRO 713 N 0.00 0.10 0.00 4.33 0.11 -1.95 0.50 132.00 135.09 3cek h PRO 713 Ca -0.29 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 3cek h PRO 713 Cb 1.23 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3cek h PRO 713 CO 0.44 0.07 -0.03 0.87 -0.21 0.00 0.00 178.00 179.14 3cek h LYS 714 N 0.11 0.00 -0.47 1.05 6.56 -1.93 -2.27 116.57 119.61 3cek h LYS 714 Ca 0.42 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.99 3cek h LYS 714 Cb 1.48 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.12 3cek h LYS 714 CO -0.05 0.03 0.23 0.77 -2.06 0.00 0.00 179.45 178.37 3cek h SER 715 N 0.00 0.58 0.44 0.86 0.02 -1.26 -2.66 113.55 111.53 3cek h SER 715 Ca -0.00 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 60.74 3cek h SER 715 Cb 0.13 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3cek h SER 715 CO 0.00 0.50 -0.67 0.44 -1.14 0.00 0.00 176.83 175.96 3cek h ASP 716 N 0.66 0.24 -0.64 3.07 3.32 -1.56 -2.69 116.42 118.82 3cek h ASP 716 Ca 0.17 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3cek h ASP 716 Cb 0.06 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3cek h ASP 716 CO -0.02 0.84 0.36 0.58 -1.72 0.00 0.00 179.24 179.28 3cek h VAL 717 N 0.14 1.20 0.16 -1.35 2.07 -1.47 -0.73 116.25 116.27 3cek h VAL 717 Ca -0.02 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.02 3cek h VAL 717 Cb 1.21 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3cek h VAL 717 CO 0.10 0.21 -0.17 -0.25 0.02 0.00 0.00 177.57 177.48 3cek h TRP 718 N 0.87 -0.45 -0.39 1.57 2.91 -1.28 -0.63 115.95 118.55 3cek h TRP 718 Ca 0.23 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.25 3cek h TRP 718 Cb 0.03 0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 3cek h TRP 718 CO -0.01 -0.26 0.24 0.77 -1.03 0.00 0.00 178.44 178.15 3cek h SER 719 N -0.37 0.45 -0.59 2.65 0.02 -1.30 -1.02 113.55 113.39 3cek h SER 719 Ca 0.01 -0.04 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 3cek h SER 719 Cb 0.36 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 3cek h SER 719 CO -0.05 0.36 0.32 -0.07 -1.14 0.00 0.00 176.83 176.25 3cek h LEU 720 N 0.51 0.48 -0.77 5.07 3.38 -1.11 -1.81 115.31 121.06 3cek h LEU 720 Ca 0.14 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.25 3cek h LEU 720 Cb -0.02 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 3cek h LEU 720 CO -0.03 0.32 0.38 1.23 0.09 0.00 0.00 178.44 180.44 3cek h GLY 721 N 0.61 1.18 1.26 0.83 0.00 -0.47 0.02 103.07 106.50 3cek h GLY 721 Ca 0.26 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 3cek h GLY 721 CO -0.16 0.03 0.24 0.00 0.00 0.00 0.00 176.54 176.65 3cek h ILE 723 N 0.92 1.25 -0.17 0.00 2.04 -0.47 -2.15 117.51 118.94 3cek h ILE 723 Ca 0.22 -0.91 -0.18 0.00 1.00 0.00 0.00 64.86 64.99 3cek h ILE 723 Cb 0.19 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3cek h ILE 723 CO -0.02 0.33 -0.62 0.25 0.00 0.00 0.00 178.15 178.10 3cek h LEU 724 N 0.78 0.65 -0.49 1.44 5.85 -0.87 -2.38 115.31 120.31 3cek h LEU 724 Ca 0.17 -0.38 0.08 0.00 0.84 0.00 0.00 57.88 58.59 3cek h LEU 724 Cb 0.37 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 3cek h LEU 724 CO 0.01 1.11 0.13 0.22 -0.34 0.00 0.00 178.44 179.56 3cek h TYR 725 N 0.43 0.21 -0.69 1.25 5.03 -0.95 -1.12 116.97 121.12 3cek h TYR 725 Ca -0.01 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.37 3cek h TYR 725 Cb 1.18 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 39.39 3cek h TYR 725 CO 0.05 0.04 0.42 -0.92 -1.32 0.00 0.00 178.16 176.43 3cek h TYR 726 N 0.28 0.78 0.00 -3.82 3.20 -1.19 0.35 116.97 116.57 3cek h TYR 726 Ca 0.24 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3cek h TYR 726 Cb 0.30 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.31 3cek h TYR 726 CO -0.20 0.42 0.00 0.52 -1.64 0.00 0.00 178.16 177.26 3cek h MET 727 N 0.81 0.00 0.00 1.82 2.86 -0.97 -0.06 114.93 119.38 3cek h MET 727 Ca 0.29 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.66 3cek h MET 727 Cb 0.08 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 3cek h MET 727 CO -0.13 0.00 -1.80 2.41 1.06 0.00 0.00 176.91 178.45 3cek n THR 728 N -2.69 1.51 -0.33 2.22 -1.04 -0.47 -4.68 114.28 108.80 3cek n THR 728 Ca 0.02 -0.15 0.08 0.00 -2.04 0.00 0.00 64.05 61.96 3cek n THR 728 Cb 0.29 -2.08 0.23 0.00 -1.82 0.00 0.00 70.33 66.96 3cek n THR 728 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3cek n TYR 729 N -4.36 0.75 -1.13 -1.42 4.01 0.12 -4.99 117.16 110.14 3cek n TYR 729 Ca -0.37 -0.54 -0.04 0.00 -0.16 0.00 0.00 57.90 56.79 3cek n TYR 729 Cb 0.71 -0.06 -0.02 0.00 -0.31 0.00 0.00 39.34 39.66 3cek n TYR 729 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3cek n GLY 730 N 0.85 0.59 3.39 2.72 0.00 -0.04 -4.94 105.19 107.76 3cek n GLY 730 Ca 0.18 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 3cek n GLY 730 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cek s LYS 731 N -1.90 1.17 0.67 1.61 -2.85 -1.24 -5.00 119.74 112.21 3cek s LYS 731 Ca 0.00 -0.48 -0.11 0.00 -1.00 0.00 0.00 55.97 54.38 3cek s LYS 731 Cb 0.00 0.53 -0.01 0.00 -2.06 0.00 0.00 37.83 36.30 3cek s LYS 731 CO 0.00 -0.48 1.05 0.95 0.10 0.00 0.00 175.35 176.97 3cek s THR 732 N -3.49 4.17 0.51 3.79 -4.23 -1.26 -2.73 115.64 112.41 3cek s THR 732 Ca 0.00 0.72 0.21 0.00 -1.18 0.00 0.00 61.69 61.45 3cek s THR 732 Cb -0.00 -3.50 0.28 0.00 1.34 0.00 0.00 72.50 70.62 3cek s THR 732 CO -0.10 -0.90 2.14 -0.65 -0.54 0.00 0.00 174.62 174.56 3cek h PRO 733 N -0.55 0.00 -0.06 3.99 0.11 -1.85 -2.56 132.00 131.07 3cek h PRO 733 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3cek h PRO 733 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3cek h PRO 733 CO 0.58 0.05 0.00 1.19 -0.21 0.00 0.00 178.00 179.61 3cek n PHE 734 N -4.17 0.18 -0.13 0.65 3.72 -1.26 -4.74 117.46 111.71 3cek n PHE 734 Ca -0.03 -0.87 0.23 0.00 -0.05 0.00 0.00 57.45 56.73 3cek n PHE 734 Cb 0.14 -0.15 0.65 0.00 -0.94 0.00 0.00 39.48 39.18 3cek n PHE 734 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3cek h GLN 735 N 0.39 0.11 -0.70 -1.08 4.15 -1.84 -1.99 115.11 114.16 3cek h GLN 735 Ca 0.00 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.45 3cek h GLN 735 Cb 0.97 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.59 3cek h GLN 735 CO 0.04 0.08 0.46 1.96 -1.93 0.00 0.00 178.83 179.43 3cek h GLN 736 N 0.12 0.81 -6.01 1.69 7.50 -1.85 -3.40 115.11 113.96 3cek h GLN 736 Ca 0.37 -0.05 -0.60 0.00 0.50 0.00 0.00 58.65 58.87 3cek h GLN 736 Cb 1.28 -0.18 -0.11 0.00 0.05 0.00 0.00 27.48 28.52 3cek h GLN 736 CO -0.05 0.53 0.67 0.42 -1.50 0.00 0.00 178.83 178.90 3cek s ILE 737 N -5.72 4.29 -0.08 2.54 1.01 -0.75 -4.89 121.20 117.59 3cek s ILE 737 Ca -0.10 0.39 -0.23 0.00 0.00 0.00 0.00 60.65 60.72 3cek s ILE 737 Cb 0.19 -4.60 -0.29 0.00 0.01 0.00 0.00 42.46 37.77 3cek s ILE 737 CO 0.77 -1.20 0.79 0.40 0.00 0.00 0.00 174.94 175.70 3cek h ILE 738 N 6.05 1.49 -2.46 2.92 2.04 -1.86 -3.41 117.51 122.27 3cek h ILE 738 Ca -0.26 -2.46 -0.55 0.00 1.00 0.00 0.00 64.86 62.59 3cek h ILE 738 Cb 1.07 3.14 -0.00 0.00 -0.74 0.00 0.00 36.82 40.29 3cek h ILE 738 CO 1.12 0.67 1.22 0.21 0.00 0.00 0.00 178.15 181.37 3cek s ASN 739 N -6.80 6.31 0.18 1.72 3.84 -1.26 -4.89 114.94 114.04 3cek s ASN 739 Ca -0.16 2.17 -0.09 0.00 0.21 0.00 0.00 52.86 54.98 3cek s ASN 739 Cb 0.01 -2.53 0.06 0.00 -0.55 0.00 0.00 41.25 38.23 3cek s ASN 739 CO 0.78 -1.23 1.61 1.56 -2.79 0.00 0.00 177.10 177.02 3cek h GLN 740 N 11.14 1.03 -0.72 0.43 1.08 -1.99 0.57 115.11 126.65 3cek h GLN 740 Ca -0.42 -0.38 0.08 0.00 -1.45 0.00 0.00 58.65 56.48 3cek h GLN 740 Cb 1.20 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 28.52 3cek h GLN 740 CO 0.96 1.07 0.48 0.82 -0.95 0.00 0.00 178.83 181.20 3cek h ILE 741 N 0.92 0.99 0.10 2.54 5.03 -1.98 -1.70 117.51 123.41 3cek h ILE 741 Ca 0.14 -0.24 -0.01 0.00 -0.12 0.00 0.00 64.86 64.64 3cek h ILE 741 Cb 0.67 0.22 0.00 0.00 -3.03 0.00 0.00 36.82 34.68 3cek h ILE 741 CO 0.05 0.13 -0.05 0.28 -0.68 0.00 0.00 178.15 177.88 3cek h SER 742 N 0.70 -0.12 -0.55 1.72 0.02 -1.51 -2.78 113.55 111.03 3cek h SER 742 Ca 0.32 -0.44 0.11 0.00 -0.84 0.00 0.00 61.79 60.93 3cek h SER 742 Cb 0.34 0.03 -0.11 0.00 0.14 0.00 0.00 62.40 62.80 3cek h SER 742 CO -0.11 0.44 -0.27 0.50 -1.14 0.00 0.00 176.83 176.25 3cek h LYS 743 N -0.74 -0.13 -0.89 3.45 3.64 -0.86 0.56 116.57 121.60 3cek h LYS 743 Ca -0.01 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3cek h LYS 743 Cb 0.55 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.34 3cek h LYS 743 CO 0.02 -0.09 0.57 -0.07 -2.27 0.00 0.00 179.45 177.61 3cek h LEU 744 N -0.13 0.91 -0.80 5.20 3.38 -1.37 -1.10 115.31 121.39 3cek h LEU 744 Ca 0.24 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 3cek h LEU 744 Cb 0.52 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3cek h LEU 744 CO -0.63 0.59 0.16 0.45 0.09 0.00 0.00 178.44 179.10 3cek h HIS 745 N 1.05 1.11 -0.11 1.13 3.86 -0.95 -2.77 115.15 118.47 3cek h HIS 745 Ca 0.38 -0.13 0.02 0.00 -1.16 0.00 0.00 60.37 59.49 3cek h HIS 745 Cb 0.12 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 3cek h HIS 745 CO -0.02 0.91 -0.04 0.00 0.86 0.00 0.00 177.93 179.63 3cek h ALA 746 N 1.16 0.06 -0.98 2.45 0.00 0.22 -1.44 119.26 120.72 3cek h ALA 746 Ca 0.21 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.30 3cek h ALA 746 Cb 0.36 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 3cek h ALA 746 CO 0.00 -0.50 0.62 0.82 0.00 0.00 0.00 179.25 180.19 3cek h ILE 747 N -0.02 0.88 -0.01 0.00 2.04 -1.05 -1.78 117.51 117.57 3cek h ILE 747 Ca 0.06 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3cek h ILE 747 Cb 0.11 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 3cek h ILE 747 CO -0.12 0.17 -0.46 2.30 0.00 0.00 0.00 178.15 180.03 3cek n ILE 748 N -4.62 0.00 -3.16 -0.67 -5.35 -1.06 -4.59 119.36 99.91 3cek n ILE 748 Ca 0.19 -0.08 -0.43 0.00 -0.27 0.00 0.00 62.75 62.16 3cek n ILE 748 Cb 0.40 0.54 -0.07 0.00 -1.74 0.00 0.00 39.64 38.76 3cek n ILE 748 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3cek s ASP 749 N -2.73 6.30 0.00 7.28 3.68 -0.56 -4.93 116.67 125.71 3cek s ASP 749 Ca 0.17 -0.38 0.20 0.00 2.13 0.00 0.00 52.55 54.67 3cek s ASP 749 Cb 0.18 -2.30 0.88 0.00 -1.45 0.00 0.00 42.92 40.23 3cek s ASP 749 CO 0.63 -0.72 1.64 -0.81 0.13 0.00 0.00 175.17 176.05 3cek n PRO 750 N 6.10 0.04 0.16 4.34 -0.04 -1.26 -1.42 135.00 142.91 3cek n PRO 750 Ca -0.03 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 3cek n PRO 750 Cb 0.48 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.71 3cek n PRO 750 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3cek h ASN 751 N 0.00 0.00 -2.79 3.54 2.35 -1.94 -3.41 115.58 113.32 3cek h ASN 751 Ca 0.00 -0.01 -0.59 0.00 -0.55 0.00 0.00 56.30 55.16 3cek h ASN 751 Cb 0.33 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.59 3cek h ASN 751 CO 0.00 0.00 0.77 -2.28 -1.65 0.00 0.00 177.43 174.27 3cek s HIS 752 N -3.16 2.58 -0.06 1.19 2.46 -0.51 -5.01 115.29 112.78 3cek s HIS 752 Ca 0.08 -0.11 -0.28 0.00 0.47 0.00 0.00 55.06 55.23 3cek s HIS 752 Cb 0.09 -4.37 -0.03 0.00 -0.13 0.00 0.00 32.58 28.14 3cek s HIS 752 CO 0.64 -1.69 0.89 -1.21 -2.47 0.00 0.00 174.74 170.90 3cek s GLU 753 N 4.67 4.47 0.30 2.88 8.01 -1.26 -4.91 118.70 132.85 3cek s GLU 753 Ca 0.31 1.22 -0.29 0.00 0.01 0.00 0.00 54.97 56.23 3cek s GLU 753 Cb -0.12 -3.49 -0.10 0.00 -4.31 0.00 0.00 34.13 26.12 3cek s GLU 753 CO 0.16 -0.11 1.12 0.42 0.01 0.00 0.00 175.26 176.87 3cek s ILE 754 N 1.30 3.39 0.04 -1.63 1.01 -1.26 -5.03 121.20 119.03 3cek s ILE 754 Ca 0.46 1.37 -0.19 0.00 0.00 0.00 0.00 60.65 62.29 3cek s ILE 754 Cb -0.19 -3.86 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 3cek s ILE 754 CO 0.21 0.31 0.55 -0.70 0.00 0.00 0.00 174.94 175.31 3cek s GLU 755 N -1.58 4.19 -0.55 2.79 2.12 -1.26 -5.04 118.70 119.37 3cek s GLU 755 Ca 0.46 0.69 0.04 0.00 0.36 0.00 0.00 54.97 56.52 3cek s GLU 755 Cb -0.32 -3.26 0.16 0.00 0.26 0.00 0.00 34.13 30.97 3cek s GLU 755 CO 0.42 0.58 0.39 -0.06 -0.54 0.00 0.00 175.26 176.05 3cek s PHE 756 N -0.87 2.42 0.58 5.30 0.08 -1.26 -5.09 117.98 119.14 3cek s PHE 756 Ca 0.29 -2.82 -0.20 0.00 0.12 0.00 0.00 56.93 54.31 3cek s PHE 756 Cb -0.19 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.29 3cek s PHE 756 CO 0.18 -0.69 1.33 -2.14 -0.10 0.00 0.00 175.22 173.80 3cek s PRO 757 N -0.59 2.93 0.12 0.24 0.02 -1.26 -4.85 135.00 131.61 3cek s PRO 757 Ca 0.26 2.16 -0.33 0.00 0.02 0.00 0.00 61.00 63.12 3cek s PRO 757 Cb -0.05 -2.10 -0.12 0.00 0.02 0.00 0.00 34.50 32.24 3cek s PRO 757 CO -0.15 -1.33 1.73 -0.40 -0.33 0.00 0.00 177.00 176.53 3cek n ASP 758 N -1.35 3.63 -4.09 2.53 5.75 -1.26 -5.00 116.55 116.75 3cek n ASP 758 Ca 0.12 1.03 -0.13 0.00 -0.01 0.00 0.00 54.79 55.80 3cek n ASP 758 Cb 0.46 -1.49 -0.11 0.00 -1.03 0.00 0.00 41.12 38.95 3cek n ASP 758 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3cek s ILE 759 N 2.00 0.63 0.60 2.12 -4.36 -1.26 -5.05 121.20 115.87 3cek s ILE 759 Ca 0.81 -1.26 0.30 0.00 -0.26 0.00 0.00 60.65 60.24 3cek s ILE 759 Cb -0.58 -0.85 0.36 0.00 1.25 0.00 0.00 42.46 42.64 3cek s ILE 759 CO 0.38 -0.45 2.05 -0.65 0.24 0.00 0.00 174.94 176.51 3cek h PRO 760 N 4.20 0.00 -4.59 0.37 0.11 -2.04 -3.31 132.00 126.75 3cek h PRO 760 Ca -0.36 0.00 -0.71 0.00 0.11 0.00 0.00 66.00 65.04 3cek h PRO 760 Cb 1.19 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.10 3cek h PRO 760 CO 0.45 0.00 0.06 -1.21 -0.21 0.00 0.00 178.00 177.09 3cek s GLU 761 N -4.56 3.04 0.27 1.05 2.02 -1.26 -4.89 118.70 114.36 3cek s GLU 761 Ca -0.04 -1.39 0.04 0.00 0.02 0.00 0.00 54.97 53.59 3cek s GLU 761 Cb 0.15 -4.28 0.37 0.00 0.10 0.00 0.00 34.13 30.47 3cek s GLU 761 CO 0.52 -1.51 1.66 0.87 0.02 0.00 0.00 175.26 176.81 3cek h LYS 762 N 9.14 0.33 -0.90 1.61 6.56 -2.01 -2.67 116.57 128.64 3cek h LYS 762 Ca -0.29 -0.17 0.01 0.00 -1.06 0.00 0.00 60.65 59.14 3cek h LYS 762 Cb 1.09 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.70 3cek h LYS 762 CO 1.09 0.70 0.59 -0.44 -2.06 0.00 0.00 179.45 179.34 3cek h ASP 763 N 0.28 1.01 -0.37 0.86 3.32 -1.93 -2.09 116.42 117.50 3cek h ASP 763 Ca 0.02 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3cek h ASP 763 Cb 0.87 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3cek h ASP 763 CO 0.07 0.72 -0.12 0.25 -1.72 0.00 0.00 179.24 178.45 3cek h LEU 764 N 1.19 0.74 -0.03 1.55 5.85 -1.91 -2.13 115.31 120.57 3cek h LEU 764 Ca 0.33 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.71 3cek h LEU 764 Cb -0.11 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 3cek h LEU 764 CO -0.08 0.95 -0.19 1.56 -0.34 0.00 0.00 178.44 180.33 3cek h GLN 765 N 0.53 -0.29 -0.62 1.25 4.20 -1.35 -2.03 115.11 116.81 3cek h GLN 765 Ca 0.09 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.92 3cek h GLN 765 Cb 0.64 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.41 3cek h GLN 765 CO 0.04 -0.19 0.22 0.22 -0.67 0.00 0.00 178.83 178.45 3cek h ASP 766 N -0.30 0.19 -0.29 1.46 1.82 -1.30 -1.56 116.42 116.45 3cek h ASP 766 Ca 0.07 0.09 0.04 0.00 -0.39 0.00 0.00 57.03 56.84 3cek h ASP 766 Cb 0.39 0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.43 3cek h ASP 766 CO -0.20 0.11 0.03 0.58 -1.61 0.00 0.00 179.24 178.15 3cek h VAL 767 N 0.38 0.83 -0.28 2.25 2.07 -1.10 -1.32 116.25 119.09 3cek h VAL 767 Ca 0.32 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.80 3cek h VAL 767 Cb 0.41 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3cek h VAL 767 CO -0.33 0.02 0.16 -0.07 0.02 0.00 0.00 177.57 177.38 3cek h LEU 768 N 0.13 0.27 -0.88 2.57 3.38 -0.85 -1.28 115.31 118.65 3cek h LEU 768 Ca 0.13 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3cek h LEU 768 Cb 0.16 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3cek h LEU 768 CO -0.20 0.20 0.56 0.11 0.09 0.00 0.00 178.44 179.20 3cek h LYS 769 N 0.34 1.03 -0.12 1.13 1.57 -1.19 -1.01 116.57 118.32 3cek h LYS 769 Ca 0.11 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 3cek h LYS 769 Cb -0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 3cek h LYS 769 CO -0.04 0.68 -0.46 0.00 -0.57 0.00 0.00 179.45 179.06 3cek n LEU 772 N -3.50 7.14 -4.70 0.00 4.77 -0.40 -4.01 117.00 116.31 3cek n LEU 772 Ca -0.02 -4.01 -0.40 0.00 -0.03 0.00 0.00 56.01 51.55 3cek n LEU 772 Cb 0.88 -0.90 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 3cek n LEU 772 CO 0.47 1.31 0.48 -0.54 -1.33 0.00 0.00 177.39 177.78 3cek s LYS 773 N -3.59 4.39 0.19 3.23 1.02 -1.24 -4.98 119.74 118.76 3cek s LYS 773 Ca 0.61 0.94 -0.08 0.00 0.02 0.00 0.00 55.97 57.46 3cek s LYS 773 Cb 0.49 -3.49 0.11 0.00 -0.52 0.00 0.00 37.83 34.41 3cek s LYS 773 CO 0.04 -0.08 1.64 0.00 -0.92 0.00 0.00 175.35 176.03 3cek h ARG 774 N 6.98 1.00 -6.37 1.68 3.08 -1.93 -3.40 114.38 115.42 3cek h ARG 774 Ca -0.37 -0.34 -0.57 0.00 0.07 0.00 0.00 59.98 58.77 3cek h ARG 774 Cb 1.18 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.09 3cek h ARG 774 CO 0.78 1.02 0.89 0.34 -1.07 0.00 0.00 179.97 181.92 3cek s ASP 775 N -6.63 6.83 0.53 7.04 -1.08 -1.26 -4.67 116.67 117.43 3cek s ASP 775 Ca -0.11 1.03 0.26 0.00 -0.52 0.00 0.00 52.55 53.21 3cek s ASP 775 Cb 0.13 -2.54 1.47 0.00 -1.46 0.00 0.00 42.92 40.52 3cek s ASP 775 CO 0.85 -0.97 2.11 1.55 0.52 0.00 0.00 175.17 179.23 3cek h PRO 776 N 8.52 0.00 0.00 4.34 0.14 -1.94 -1.46 132.00 141.60 3cek h PRO 776 Ca -0.22 0.00 -0.10 0.00 0.14 0.00 0.00 66.00 65.82 3cek h PRO 776 Cb 1.07 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.20 3cek h PRO 776 CO 1.04 0.10 -0.45 0.87 0.14 0.00 0.00 178.00 179.70 3cek h LYS 777 N 0.00 0.00 0.00 0.86 1.57 -1.95 -2.81 116.57 114.24 3cek h LYS 777 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3cek h LYS 777 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3cek h LYS 777 CO 0.01 0.45 -0.47 1.04 -0.57 0.00 0.00 179.45 179.91 3cek n GLN 778 N -3.92 0.23 -2.62 3.15 1.13 -0.62 -4.91 117.38 109.82 3cek n GLN 778 Ca -0.01 0.09 -0.38 0.00 -1.94 0.00 0.00 57.00 54.76 3cek n GLN 778 Cb 0.49 -1.67 -0.05 0.00 0.11 0.00 0.00 30.24 29.12 3cek n GLN 778 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3cek s ARG 779 N -3.12 4.45 0.53 -1.09 3.52 -0.79 -4.95 118.95 117.49 3cek s ARG 779 Ca 0.08 1.51 -0.20 0.00 -0.13 0.00 0.00 55.73 56.99 3cek s ARG 779 Cb 0.14 -2.81 -0.06 0.00 -1.56 0.00 0.00 34.95 30.66 3cek s ARG 779 CO 0.69 0.11 1.16 -1.50 -0.81 0.00 0.00 175.30 174.95 3cek s ILE 780 N -1.51 3.04 0.41 4.11 2.07 -0.95 -4.98 121.20 123.38 3cek s ILE 780 Ca 0.51 0.68 0.02 0.00 -1.41 0.00 0.00 60.65 60.46 3cek s ILE 780 Cb -0.23 -3.29 -0.01 0.00 0.13 0.00 0.00 42.46 39.06 3cek s ILE 780 CO 0.29 -0.11 0.61 -0.94 -1.91 0.00 0.00 174.94 172.88 3cek s SER 781 N -1.63 5.90 0.13 4.50 1.04 -1.26 -4.90 113.70 117.48 3cek s SER 781 Ca 0.71 0.17 -0.19 0.00 0.48 0.00 0.00 55.95 57.12 3cek s SER 781 Cb -0.26 -1.49 -0.04 0.00 0.10 0.00 0.00 66.02 64.33 3cek s SER 781 CO 0.30 -0.60 1.75 0.40 0.98 0.00 0.00 173.24 176.08 3cek h ILE 782 N 0.56 0.97 -0.99 -1.02 1.08 -1.97 -0.25 117.51 115.88 3cek h ILE 782 Ca -0.46 -0.07 0.08 0.00 -0.39 0.00 0.00 64.86 64.02 3cek h ILE 782 Cb 1.25 0.76 -0.07 0.00 -3.07 0.00 0.00 36.82 35.69 3cek h ILE 782 CO 0.56 0.03 0.64 -0.65 -0.69 0.00 0.00 178.15 178.05 3cek h PRO 783 N 0.19 1.09 -0.68 2.37 0.11 -1.97 -0.24 132.00 132.87 3cek h PRO 783 Ca 0.09 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.06 3cek h PRO 783 Cb 0.04 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 30.88 3cek h PRO 783 CO -0.08 0.72 0.12 0.93 -0.21 0.00 0.00 178.00 179.48 3cek h GLU 784 N 1.12 1.12 0.00 1.05 5.08 -1.90 -2.92 114.58 118.13 3cek h GLU 784 Ca 0.44 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3cek h GLU 784 Cb 0.23 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3cek h GLU 784 CO -0.19 1.01 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.57 3cek h LEU 785 N 1.05 0.00 -0.48 1.33 3.38 0.10 -2.87 115.31 117.81 3cek h LEU 785 Ca 0.21 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 3cek h LEU 785 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3cek h LEU 785 CO 0.01 0.20 -0.46 -0.07 0.09 0.00 0.00 178.44 178.21 3cek h LEU 786 N 0.00 0.00 -1.12 1.67 3.38 -0.90 -3.08 115.31 115.26 3cek h LEU 786 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3cek h LEU 786 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3cek h LEU 786 CO 0.03 0.46 0.00 0.00 0.09 0.00 0.00 178.44 179.02 3cek n ALA 787 N -2.26 2.54 -1.77 1.53 0.00 -1.10 -4.67 120.51 114.78 3cek n ALA 787 Ca 0.01 -0.51 -0.39 0.00 0.00 0.00 0.00 53.44 52.55 3cek n ALA 787 Cb 0.63 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 3cek n ALA 787 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3cek s HIS 788 N -1.90 3.25 0.51 0.00 5.04 -1.12 -4.86 115.29 116.21 3cek s HIS 788 Ca 0.35 1.58 0.19 0.00 -1.54 0.00 0.00 55.06 55.64 3cek s HIS 788 Cb 0.20 -3.40 1.27 0.00 0.04 0.00 0.00 32.58 30.68 3cek s HIS 788 CO 0.31 -1.13 2.06 -1.35 -2.34 0.00 0.00 174.74 172.29 3cek h PRO 789 N 3.19 0.08 -0.57 2.88 0.11 -1.93 -1.01 132.00 134.74 3cek h PRO 789 Ca -0.48 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.71 3cek h PRO 789 Cb 1.22 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 3cek h PRO 789 CO 0.65 0.05 0.22 -0.92 -0.21 0.00 0.00 178.00 177.79 3cek h TYR 790 N 0.09 0.38 0.00 0.65 3.20 -1.85 0.76 116.97 120.19 3cek h TYR 790 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3cek h TYR 790 Cb 0.47 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.66 3cek h TYR 790 CO -0.00 0.11 -0.90 -0.39 -1.64 0.00 0.00 178.16 175.33 3cek h VAL 791 N 0.40 0.00 0.00 1.81 -1.51 -1.68 -3.39 116.25 111.87 3cek h VAL 791 Ca 0.28 -0.91 -0.33 0.00 -1.23 0.00 0.00 66.70 64.51 3cek h VAL 791 Cb 0.33 1.43 -0.06 0.00 -2.13 0.00 0.00 31.29 30.86 3cek h VAL 791 CO -0.28 0.00 -2.06 0.00 -1.23 0.00 0.00 177.57 174.00 3cek n GLN 792 N -2.59 0.66 -4.64 5.19 1.13 -0.44 -4.96 117.38 111.73 3cek n GLN 792 Ca 0.01 0.14 -0.34 0.00 -1.94 0.00 0.00 57.00 54.87 3cek n GLN 792 Cb 0.53 -1.65 -0.11 0.00 0.11 0.00 0.00 30.24 29.11 3cek n GLN 792 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3cek s ILE 793 N -2.54 3.61 0.00 5.09 1.01 0.23 -5.04 121.20 123.55 3cek s ILE 793 Ca -0.08 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3cek s ILE 793 Cb 0.07 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 40.06 3cek s ILE 793 CO 0.83 0.57 0.00 0.00 0.00 0.00 0.00 174.94 176.34