NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4821 8.3049 120.3308 55.5002 33.1656 174.3652 2 M 4.4911 8.5774 123.6130 52.8939 34.4989 170.2142 3 V 4.3393 8.3037 122.1638 60.8099 34.1592 174.1889 4 W 4.6261 8.9671 135.0000 57.5892 31.1055 175.3276 5 T 4.1713 8.2907 124.1222 61.4686 67.0026 172.6867 6 P 4.4710 0.0000 0.0000 63.5711 32.2024 175.8803 7 V 3.9089 7.4833 120.0419 63.0003 32.3504 175.6614 8 N 4.2582 8.5500 125.7833 54.9868 35.9423 173.7621 9 N 4.7765 7.4638 108.8475 52.9440 40.2697 174.2666 10 K 4.0905 8.2492 115.8813 56.3992 32.7993 176.5451 11 M 4.7692 7.8019 120.2200 53.7561 35.6252 175.1703 12 F 4.8421 8.4369 117.1361 57.1252 41.0205 176.3713 13 E 3.5755 8.2858 121.2873 56.8233 27.5895 174.7648 14 T 3.8065 8.3531 120.5168 66.6495 68.8806 174.2206 15 F 4.5495 8.9500 123.8909 57.6174 36.8395 176.8013 16 S 4.3224 8.1560 116.5231 61.4209 62.6732 174.7100 17 Y 4.3615 8.3240 115.3135 58.0244 38.0352 175.0033 18 L 4.6968 7.5754 120.4564 52.0944 43.7400 174.4747 19 P 4.4449 0.0000 0.0000 61.8640 31.7766 175.0048 20 P 4.3079 0.0000 0.0000 62.8132 31.7655 176.4526 21 L 4.0292 8.3306 122.6993 54.6908 42.1993 177.9694 22 T 4.2294 8.2124 114.1024 61.0802 71.0893 175.1724 23 D 4.3621 8.6324 121.3661 57.7775 40.7894 178.9010 24 E 3.9141 8.1256 118.9780 59.4051 29.6768 178.7670 25 Q 3.9043 7.9151 117.9586 58.8867 28.7610 178.7383 26 I 3.7320 8.0212 120.8055 64.4281 37.1854 178.1970 27 A 4.0562 8.2678 121.4475 55.2924 18.1619 179.5798 28 A 3.9803 8.2098 119.1734 55.3575 18.4352 179.8760 29 Q 4.1185 8.1551 116.6877 59.1912 28.8262 179.2118 30 V 3.7623 8.1132 119.3008 66.0835 31.5565 177.7348 31 D 4.4102 8.4030 118.7669 57.4924 40.7950 178.0369 32 Y 4.2081 8.2113 119.9181 60.8570 38.9045 178.1736 33 I 3.8506 7.9781 120.5746 64.6170 37.3707 178.5758 34 V 3.5296 7.8583 118.5300 66.0087 31.1710 177.9125 35 A 3.9281 8.1539 119.6205 54.6009 18.2623 178.3826 36 N 4.0707 7.1842 111.9714 52.2311 38.7040 175.8729 37 G 3.7692 7.2096 108.1239 45.9668 0.0000 174.0343 38 W 4.9057 7.3298 118.4685 56.1574 30.5884 176.1641 39 I 4.3506 8.9848 123.2048 59.7095 37.8034 174.0478 40 P 4.8607 0.0000 0.0000 62.8220 32.7521 175.1647 41 C 5.0014 8.9491 122.1411 58.2766 35.6454 172.4139 42 L 5.3343 8.7438 124.1574 53.3122 44.2278 175.2040 43 E 5.6299 9.1866 121.0558 55.0172 34.3709 174.4814 44 F 5.5622 9.1608 115.9232 56.0248 41.9636 172.9555 45 A 4.3910 8.3062 119.9759 50.7576 22.1329 177.5674 46 E 3.7991 8.7605 120.2391 59.0700 29.8077 177.3779 47 H 5.1608 7.6350 112.5346 53.7923 32.3926 172.8987 48 S 4.6399 8.4237 115.3480 56.6253 63.9490 172.9832 49 N 5.0946 8.5430 125.1374 50.3902 41.4202 173.8787 50 P 4.0982 0.0000 0.0000 65.9258 31.2810 177.5706 51 E 3.7099 7.9967 116.7079 57.9532 29.5619 176.3464 52 E 4.4167 7.7366 118.8738 54.6960 29.4514 176.1881 53 F 4.0221 8.8346 123.1880 60.3640 39.2435 175.6385 54 Y 4.6881 7.8198 116.6075 56.7692 38.9474 175.1226 55 W 5.0317 8.5938 123.4230 55.3918 32.3851 175.0526 56 T 4.2305 8.0782 117.2536 63.0424 69.2305 174.5732 57 M 4.5370 8.5126 126.3002 55.1552 33.2250 175.2222 58 W 4.7911 9.6047 135.0000 56.4597 31.3532 176.9487 59 K 3.4460 8.5556 128.6859 57.4758 30.8581 178.1848 60 L 4.9419 8.3184 124.1418 52.7227 45.2817 174.0122 61 P 4.3564 0.0000 0.0000 63.3448 32.2222 177.5782 62 M 4.3108 8.5639 123.5083 53.7185 30.4511 175.6966 63 F 4.5005 7.4550 118.5328 58.7872 40.0201 176.5991 64 G 3.9849 9.1276 112.5905 45.6371 0.0000 172.9786 65 C 4.3188 7.9968 121.0277 59.4881 31.7480 173.1837 66 R 4.5453 8.6501 124.7119 55.6105 31.1606 174.6997 67 D 4.8034 7.8359 118.6031 51.2771 42.4291 174.3102 68 P 4.3339 0.0000 0.0000 66.4068 31.0418 178.1287 69 M 4.0724 8.2265 118.0430 58.1205 31.8286 178.4787 70 Q 3.9724 8.1603 119.3729 59.0920 29.2674 178.4451 71 V 3.6126 7.7634 118.7587 66.1318 31.6859 177.8420 72 L 4.0571 8.1374 118.7311 57.8797 41.3439 179.7884 73 R 3.9784 8.2599 118.1783 59.2625 29.9575 178.9606 74 E 4.1013 8.2981 118.4485 59.1972 29.3471 179.2924 75 I 3.5165 7.7784 120.0292 64.3341 37.1380 178.4078 76 V 3.4671 7.6500 118.5596 66.0561 31.3710 177.9153 77 A 3.9236 8.0953 120.4926 55.1166 18.2338 179.1496 78 C 2.0000 7.6936 117.6961 62.0809 31.3595 176.0412 79 T 3.7385 7.6594 111.3968 64.3359 68.0073 176.4103 80 K 3.8120 7.8343 121.8991 59.3553 32.3238 178.4318 81 A 3.9718 7.6733 119.8146 53.5205 19.6633 177.6140 82 F 4.6758 7.7837 115.8348 55.0713 39.1239 173.7928 83 P 4.5507 0.0000 0.0000 63.8018 31.9524 177.7471 84 D 4.6176 7.9804 116.9133 54.0188 41.5265 175.7832 85 A 4.5866 7.3269 121.3636 50.7281 20.6245 177.0681 86 Y 4.2442 8.4367 117.9904 58.0320 39.3295 175.4366 87 V 5.1774 8.9567 123.4095 61.1437 35.2054 174.2558 88 R 5.0652 9.5341 123.9833 54.2891 33.0322 173.9030 89 L 4.8134 8.0982 123.3914 54.0252 43.7737 175.7375 90 V 4.8479 8.6571 118.2942 59.5532 36.5624 174.0803 91 A 4.8596 8.0781 121.3195 50.6504 22.8420 175.2554 92 F 5.3093 9.2107 119.4651 55.7395 42.6660 174.3060 93 D 5.4426 8.8490 122.2523 52.6277 42.5410 176.4932 94 N 4.7106 9.1733 123.4086 54.4479 38.3011 176.4298 95 Q 4.1664 8.8381 118.9834 58.9232 28.9729 177.3640 96 K 4.0908 8.3311 113.5609 56.4410 33.0701 176.4717 97 Q 3.3519 8.0583 118.4780 56.0306 27.1039 172.6709 98 V 4.5060 7.7711 117.6935 60.0384 35.0561 174.2360 99 Q 4.5039 8.6965 123.0899 56.4390 29.3745 175.4540 100 I 4.2580 8.3209 124.7259 61.1540 39.9651 174.3864 101 M 4.7133 6.9065 117.6246 54.0186 34.7880 173.7614 102 G 4.9444 8.2534 107.8919 47.1727 0.0000 172.2620 103 F 5.0635 7.1615 116.7135 55.3292 41.1376 173.2036 104 L 4.7431 8.8879 120.6489 55.4344 41.6631 177.3734 105 V 4.5446 9.0405 115.3163 61.3772 33.7877 175.5032 106 Q 4.6227 7.8180 120.6925 54.8423 32.3915 173.0962 107 R 4.5305 8.1456 122.4964 53.1225 34.4030 173.5815 108 P 4.2482 0.0000 0.0000 62.7371 31.8804 178.1645 109 K 4.1620 8.4430 121.2625 59.3827 32.2586 178.4690 110 T 3.9988 7.7617 106.6116 62.6536 69.1082 174.2745 111 A 4.2755 7.4744 125.8989 52.2537 18.6584 177.3902 112 R 4.3942 8.5142 119.6429 55.9007 30.2454 175.6460 113 D 4.7707 8.3020 116.3929 53.8280 39.9828 175.3063 114 F 5.4579 7.3260 113.0828 54.1933 41.0520 173.8755 115 Q 4.5609 8.4396 120.1885 53.0712 30.8247 174.2194 116 P 4.4293 0.0000 0.0000 62.6174 32.1343 176.8547 117 A 3.9566 8.9478 123.6148 55.6866 18.1440 179.0800 118 N 4.7652 8.1051 108.9857 53.6091 37.7847 175.4431 119 K 4.4359 7.9208 117.5550 56.4542 32.8727 177.3924 120 R 3.6284 7.4849 119.2897 57.7147 30.1953 176.5909 121 S 5.0975 7.5153 110.3760 56.3249 66.1112 174.2424 122 V 3.9950 8.5277 114.7864 61.7117 31.9674 175.6544 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.48 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.58 4.49 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 3 V 8.30 4.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.97 0.00 0.00 4 W 8.97 4.63 0.00 3.47 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.29 4.17 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 6 P 0.00 4.47 0.00 2.24 2.19 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 7 V 7.48 3.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.91 0.00 0.00 8 N 8.55 4.26 0.00 2.81 2.87 0.00 0.00 6.52 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 7.46 4.78 0.00 2.65 2.68 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.25 4.09 0.00 1.83 1.39 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.82 7.81 11 M 7.80 4.77 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 12 F 8.44 4.84 0.00 3.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.29 3.58 0.00 2.14 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 14 T 8.35 3.81 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 15 F 8.95 4.55 0.00 3.28 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.16 4.32 0.00 4.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.32 4.36 0.00 3.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.58 4.70 0.00 1.84 1.61 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.44 0.00 2.03 2.00 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 20 P 0.00 4.31 0.00 2.05 2.02 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 21 L 8.33 4.03 0.00 1.62 1.51 0.49 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.21 4.23 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 23 D 8.63 4.36 0.00 2.70 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.13 3.91 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 25 Q 7.92 3.90 0.00 2.31 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 26 I 8.02 3.73 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.95 1.10 0.00 0.00 27 A 8.27 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.21 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.16 4.12 0.00 2.55 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.36 1.88 0.00 30 V 8.11 3.76 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.08 0.00 0.00 31 D 8.40 4.41 0.00 2.99 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.21 4.21 0.00 3.08 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.98 3.85 2.16 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.24 1.04 0.00 0.00 34 V 7.86 3.53 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 35 A 8.15 3.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.18 4.07 0.00 1.44 1.42 0.00 0.00 7.03 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.21 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 W 7.33 4.91 0.00 3.36 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.98 4.35 2.12 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.96 0.79 0.00 0.00 40 P 0.00 4.86 0.00 2.09 1.98 0.00 3.78 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.95 5.00 0.00 3.01 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.74 5.33 0.00 1.88 1.65 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.19 5.63 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 44 F 9.16 5.56 0.00 3.06 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.31 4.39 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.76 3.80 0.00 1.79 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 47 H 7.64 5.16 0.00 3.07 3.20 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.42 4.64 0.00 3.10 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.54 5.09 0.00 2.76 2.83 0.00 0.00 6.81 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.10 0.00 2.06 2.10 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 51 E 8.00 3.71 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 52 E 7.74 4.42 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 53 F 8.83 4.02 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.82 4.69 0.00 3.10 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 W 8.59 5.03 0.00 3.14 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.08 4.23 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 57 M 8.51 4.54 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.77 0.00 58 W 9.60 4.79 0.00 3.68 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.56 3.45 0.00 1.70 0.74 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.70 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.81 0.21 7.81 60 L 8.32 4.94 0.00 1.61 1.59 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.36 0.00 0.67 1.86 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 62 M 8.56 4.31 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 63 F 7.45 4.50 0.00 3.11 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 9.13 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 8.00 4.32 0.00 3.02 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.65 4.55 0.00 1.80 1.86 0.00 3.20 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 67 D 7.84 4.80 0.00 2.64 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.33 0.00 2.33 2.34 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 69 M 8.23 4.07 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 70 Q 8.16 3.97 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 71 V 7.76 3.61 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.01 0.00 0.00 72 L 8.14 4.06 0.00 1.89 1.72 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.26 3.98 0.00 2.10 2.01 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 74 E 8.30 4.10 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 75 I 7.78 3.52 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 0.87 0.00 0.00 76 V 7.65 3.47 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.95 0.00 0.00 77 A 8.10 3.92 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 C 7.69 2.00 0.00 1.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.66 3.74 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 80 K 7.83 3.81 0.00 1.79 1.95 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.39 7.81 81 A 7.67 3.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 7.78 4.68 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.55 0.00 2.12 2.10 0.00 3.26 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 84 D 7.98 4.62 0.00 2.67 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.33 4.59 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.44 4.24 0.00 2.47 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.96 5.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.89 0.00 0.00 88 R 9.53 5.07 0.00 1.88 2.04 0.00 2.43 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 89 L 8.10 4.81 0.00 1.53 0.75 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.66 4.85 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.46 0.00 0.00 91 A 8.08 4.86 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 F 9.21 5.31 0.00 2.98 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.85 5.44 0.00 2.40 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 9.17 4.71 0.00 2.94 3.06 0.00 0.00 6.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.84 4.17 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 96 K 8.33 4.09 0.00 1.76 1.85 0.00 1.93 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 97 Q 8.06 3.35 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 98 V 7.77 4.51 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.92 0.00 0.00 99 Q 8.70 4.50 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.09 0.00 100 I 8.32 4.26 1.27 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.55 -0.71 0.00 0.00 101 M 6.91 4.71 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.63 0.00 102 G 8.25 4.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 7.16 5.06 0.00 3.21 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.89 4.74 0.00 1.68 1.74 1.22 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 105 V 9.04 4.54 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.95 0.00 0.00 106 Q 7.82 4.62 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 107 R 8.15 4.53 0.00 1.45 1.32 0.00 2.63 0.00 0.00 2.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.00 108 P 0.00 4.25 0.00 2.00 1.88 0.00 2.46 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 109 K 8.44 4.16 0.00 1.71 1.85 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.33 7.81 110 T 7.76 4.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 111 A 7.47 4.28 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.51 4.39 0.00 1.76 1.85 0.00 3.35 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 113 D 8.30 4.77 0.00 2.99 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 7.33 5.46 0.00 3.33 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.44 4.56 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.21 0.00 116 P 0.00 4.43 0.00 2.21 2.20 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 117 A 8.95 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.11 4.77 0.00 2.84 2.95 0.00 0.00 5.87 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.92 4.44 0.00 1.81 1.75 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.46 7.81 120 R 7.48 3.63 0.00 1.62 0.66 0.00 3.06 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.52 0.00 121 S 7.52 5.10 0.00 4.04 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.53 4.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.92 0.00 0.00