NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.5730 8.4293 116.1879 55.1137 30.3026 173.2884 2 C 4.0893 7.6296 114.1120 57.0088 30.2368 172.1477 3 D 4.5784 8.3284 118.7300 55.1283 40.0630 175.5912 4 L 4.0685 8.0517 120.5786 56.9144 42.2746 175.6819 5 P 4.5760 0.0000 0.0000 62.2462 32.3685 175.3029 6 C 4.3025 8.4613 113.2213 57.8022 30.6958 175.0185 7 G 3.9459 8.3132 107.5670 45.3675 0.0000 172.8427 8 V 4.3336 7.2104 119.0973 61.0564 32.8039 174.3601 9 Y 4.7322 8.1627 123.4872 56.7879 42.1121 174.4004 10 D 3.7802 7.9754 119.1305 51.6915 43.7999 174.5791 11 P 4.0622 0.0000 0.0000 64.6770 31.1367 178.0761 12 A 3.9723 8.5563 120.6616 55.0640 17.6278 179.6343 13 Q 3.7627 7.9563 116.4274 59.1019 28.7962 178.9117 14 A 4.0618 7.7534 121.1984 55.0138 18.4090 179.3983 15 R 3.8255 8.1411 117.3975 59.7208 30.3284 178.6125 16 I 3.8347 8.0534 118.6575 64.1623 37.9063 177.7292 17 E 4.0218 7.9935 118.3804 59.2202 29.3761 179.0975 18 A 4.0806 8.2107 120.8777 55.0345 18.3125 179.5791 19 E 3.9714 8.4434 117.6818 59.6155 29.4098 179.6622 20 S 4.1157 7.9588 115.0183 61.3529 62.8407 176.7622 21 V 3.5618 7.7090 121.0121 66.0480 31.2676 178.0869 22 K 4.1565 8.0425 118.9200 59.4046 32.0232 178.5522 23 A 4.0143 8.2783 121.3127 55.3013 18.2991 179.7294 24 I 3.7524 8.1396 118.6210 64.6038 37.0282 178.7097 25 Q 4.0507 8.0909 119.0106 58.8323 28.4205 178.6691 26 E 4.0161 8.4094 119.7619 59.5189 29.5554 179.6388 27 K 4.1365 8.2099 118.4090 59.6423 31.8781 179.3113 28 M 4.4699 8.1394 117.9009 57.7459 31.9279 177.7986 29 A 4.2934 7.8471 118.8634 53.0340 19.0746 177.5162 30 A 4.4391 7.7052 118.5389 51.8383 20.0465 176.4588 31 N 4.6914 7.8590 114.2734 52.1209 40.6927 173.2875 32 D 4.7301 8.6686 124.6930 53.1975 40.3669 176.6974 33 D 4.4022 8.6088 121.0630 54.7085 42.4504 176.1503 34 L 3.9378 8.6885 128.4128 59.0114 42.1826 178.9964 35 H 4.1301 8.3255 115.3573 58.7259 28.6682 177.5096 36 F 4.2081 8.7592 122.6291 61.3633 39.2431 177.2350 37 Q 3.9268 8.4523 117.8955 58.8351 28.3825 178.9458 38 I 3.6342 7.8742 120.8157 64.5156 37.1324 178.6907 39 R 3.8150 7.9971 118.6117 59.1789 29.7769 179.0308 40 A 3.7111 8.0017 120.8425 55.2421 18.2516 179.8862 41 T 3.7200 7.8578 114.2356 66.6056 68.5940 176.9919 42 V 3.5214 7.8483 120.2537 66.2940 31.5246 178.2185 43 I 3.9939 7.8771 120.9982 63.6436 36.8372 178.3597 44 K 3.8901 8.3190 120.9197 59.3480 31.9700 178.4438 45 E 3.8975 8.1784 119.6762 59.3760 29.4712 178.9176 46 Q 3.9793 7.8331 117.5495 59.1108 28.8250 178.9771 47 R 4.0408 8.2674 119.0326 59.0691 30.0409 178.9967 48 A 4.0211 8.2699 120.9107 55.0186 18.3335 179.2861 49 E 3.8757 8.2375 117.9331 59.4277 29.6621 179.0964 50 L 3.9491 7.9686 118.8003 57.6119 41.6530 179.3182 51 A 4.0543 8.1482 120.7668 55.1136 18.2556 179.8182 52 K 3.9100 8.2377 117.0709 59.7502 32.1195 178.9452 53 H 4.1268 8.3543 118.4746 59.7850 29.9185 176.9632 54 H 4.1931 8.2685 117.9282 58.9192 28.5174 177.8751 55 L 4.0932 8.0820 120.8071 57.8608 41.4796 179.1688 56 D 4.5674 8.5373 119.3235 57.4473 40.7390 179.0792 57 V 3.7570 8.0423 118.7607 65.9479 31.4808 178.0894 58 L 3.9395 7.9855 118.5108 57.4908 41.2513 179.3703 59 W 4.6277 8.4041 127.3614 60.7397 30.8558 177.8481 60 S 4.0170 8.8842 113.1695 60.3395 62.8269 175.0548 61 D 4.7364 8.3584 120.8569 55.9232 41.9422 177.3775 62 Y 3.3272 7.5050 118.2109 60.1068 39.0006 175.6341 63 F 3.9515 7.7452 118.0880 57.2917 39.5002 175.4383 64 K 4.5058 8.1948 124.3633 53.8843 34.6816 175.3668 65 P 4.4262 0.0000 0.0000 65.8766 31.0689 177.1081 66 P 4.2442 0.0000 0.0000 65.8772 31.1514 178.3842 67 H 4.3232 7.8998 114.8161 59.0282 28.5548 177.9464 68 F 4.3654 7.9029 118.9539 60.2345 38.5460 177.2756 69 E 4.0301 8.1785 118.7398 59.2775 29.4939 178.6437 70 S 4.2301 7.9721 114.4638 60.0125 64.4714 174.2201 71 Y 4.9959 8.1219 118.2300 53.4654 38.1085 173.9988 72 P 4.7827 0.0000 0.0000 64.7603 31.7660 177.6324 73 E 4.1516 8.3525 115.5972 58.6493 29.2288 178.6282 74 L 3.9320 8.2524 122.5450 58.5334 42.0761 178.4411 75 H 4.4335 8.2151 115.6367 59.4656 28.7221 177.9744 76 T 3.8464 7.9206 116.9113 66.3100 68.3028 176.3886 77 L 3.8050 8.3043 122.7112 58.2527 42.1200 179.3114 78 V 3.5286 7.9664 118.2922 65.8918 31.4541 177.4558 79 N 4.0165 7.9842 116.8402 56.6712 38.6787 176.7755 80 E 3.7210 8.3886 120.1925 58.8962 29.4151 179.1898 81 A 3.8855 7.5629 120.9728 55.3145 18.5120 180.1990 82 V 3.5977 7.8366 111.0254 64.3724 31.5702 179.0503 83 K 3.9891 8.0644 118.2057 59.1875 31.8417 179.2775 84 A 4.0968 8.1572 121.4700 55.0344 18.2659 179.7113 85 L 4.0227 7.8581 117.6260 57.9498 41.5430 179.8064 86 S 4.1195 8.1264 115.0537 61.5195 62.5184 176.6012 87 A 3.9879 7.9813 122.4004 55.0479 18.5041 179.2787 88 A 4.1750 7.9870 120.6922 54.5226 18.1598 179.9992 89 K 3.9550 7.8297 116.3862 59.2896 32.1550 178.3589 90 A 4.5175 7.3489 118.4181 51.1609 18.9589 176.6221 91 S 4.6214 7.2779 112.4084 57.9849 65.6336 173.9823 92 T 4.3615 8.3130 113.2265 61.2629 69.5973 173.8183 93 D 4.5167 8.2548 124.2687 53.2598 41.4054 174.9982 94 P 4.5979 0.0000 0.0000 64.7798 31.2371 178.3338 95 A 4.0338 8.6763 120.4480 55.1124 17.6653 179.7419 96 T 3.9880 8.2693 108.9237 64.8952 68.9073 177.2579 97 G 3.6290 8.1164 108.1903 47.5428 0.0000 175.3528 98 Q 3.9991 8.3126 122.0071 58.6376 29.1460 178.0960 99 K 3.7722 8.1662 120.6655 59.3489 32.2262 178.6261 100 A 4.1847 7.9006 120.5610 55.3217 18.3642 179.5858 101 L 3.9997 7.9693 117.4892 58.0476 41.5065 179.5721 102 D 4.3355 8.2325 119.0741 57.5244 40.6997 178.4433 103 Y 4.4186 7.7808 116.8092 61.2062 37.8554 178.4630 104 I 3.7755 8.1410 120.6023 64.3609 37.1752 178.3434 105 A 4.1191 8.2417 121.6643 55.2218 18.1235 179.7644 106 Q 4.0207 7.9379 116.5020 59.1959 28.7430 178.9934 107 I 3.7899 8.0660 120.9690 64.2932 37.1504 177.9274 108 D 4.3678 8.6514 119.4398 57.1788 41.0402 178.1836 109 K 4.0919 8.2216 120.0950 59.7658 32.2457 178.8574 110 I 3.4562 7.6062 119.6578 64.0438 37.0506 177.8226 111 F 4.0528 8.5724 121.9741 61.5557 39.1872 177.4876 112 W 4.1746 8.2913 117.8950 59.4546 28.7889 178.5472 113 E 4.1057 8.0667 118.9384 59.5884 28.7179 179.3702 114 T 4.0271 7.7767 108.6757 64.5109 68.8680 176.5158 115 K 4.0280 7.4788 120.4458 58.5346 32.1341 178.5710 116 K 4.3386 7.6815 116.3744 57.2940 32.6001 177.0556 117 A 4.3340 7.9240 125.4602 52.5614 18.4836 176.8832 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 H 8.43 4.57 0.00 3.25 3.23 0.00 5.48 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.63 4.09 0.00 3.10 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.33 4.58 0.00 2.88 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.05 4.07 0.00 1.59 1.73 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.58 0.00 2.28 2.09 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 6 C 8.46 4.30 0.00 3.00 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 7 G 8.31 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.21 4.33 1.98 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 0.88 0.00 0.00 0.97 0.00 0.00 9 Y 8.16 4.73 0.00 2.78 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 3.78 0.00 2.60 2.37 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 11 P 0.00 4.06 0.00 2.26 1.86 0.00 3.00 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 1.37 0.98 0.00 12 A 8.56 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.96 3.76 0.00 1.81 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 14 A 7.75 4.06 1.31 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 0.00 0.00 15 R 8.14 3.83 0.00 1.89 2.08 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 16 I 8.05 3.83 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.97 0.00 0.00 17 E 7.99 4.02 0.00 2.23 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 0.00 2.55 2.55 0.00 18 A 8.21 4.08 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 19 E 8.44 3.97 0.00 2.19 2.02 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 2.34 2.58 0.00 20 S 7.96 4.12 0.00 4.11 3.92 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 21 V 7.71 3.56 2.29 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 1.00 0.00 0.00 0.98 0.00 0.00 22 K 8.04 4.16 0.00 1.91 1.80 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.63 7.81 23 A 8.28 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 3.75 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.03 0.89 0.00 0.00 25 Q 8.09 4.05 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 26 E 8.41 4.02 0.00 2.21 2.02 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 2.57 2.51 0.00 27 K 8.21 4.14 0.00 2.17 2.14 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.75 7.81 28 M 8.14 4.47 0.00 2.05 2.32 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.46 0.00 29 A 7.85 4.29 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 30 A 7.71 4.44 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 7.86 4.69 0.00 2.24 2.25 0.00 0.00 7.02 8.47 0.00 0.00 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 D 8.67 4.73 0.00 2.85 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 33 D 8.61 4.40 0.00 2.86 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.69 3.94 0.00 1.79 1.65 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.33 4.13 0.00 3.49 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.76 4.21 0.00 3.16 3.27 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 0.00 0.00 0.00 0.00 37 Q 8.45 3.93 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 38 I 7.87 3.63 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.88 0.00 0.00 39 R 8.00 3.81 0.00 1.83 1.90 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 40 A 8.00 3.71 0.80 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 0.00 0.00 41 T 7.86 3.72 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 42 V 7.85 3.52 2.18 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 1.01 0.00 0.00 0.96 0.00 0.00 43 I 7.88 3.99 1.87 0.00 0.00 0.83 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 0.91 0.89 0.00 0.00 44 K 8.32 3.89 0.00 1.82 1.97 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.18 3.90 0.00 2.29 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 0.00 2.29 2.38 0.00 46 Q 7.83 3.98 0.00 2.28 2.12 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 2.36 2.64 0.00 47 R 8.27 4.04 0.00 1.81 1.98 0.00 3.27 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 48 A 8.27 4.02 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.24 3.88 0.00 2.19 2.13 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 2.29 2.38 0.00 50 L 7.97 3.95 0.00 1.94 1.71 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.15 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.24 3.91 0.00 2.00 1.87 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.66 7.81 53 H 8.35 4.13 0.00 3.22 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.27 4.19 0.00 3.35 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.08 4.09 0.00 1.88 1.76 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.54 4.57 0.00 2.90 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 57 V 8.04 3.76 2.30 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 1.25 0.00 0.00 0.92 0.00 0.00 58 L 7.99 3.94 0.00 2.09 1.71 0.77 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.40 4.63 0.00 3.47 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.88 4.02 0.00 4.03 4.20 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 61 D 8.36 4.74 0.00 3.01 2.99 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 0.00 0.00 0.00 0.00 62 Y 7.50 3.33 0.00 1.43 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.75 3.95 0.00 2.80 1.85 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 4.51 0.00 1.48 1.59 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.18 7.81 65 P 0.00 4.43 0.00 2.15 2.15 0.00 3.57 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 66 P 0.00 4.24 0.00 1.99 2.04 0.00 3.40 0.00 0.00 3.72 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 67 H 7.90 4.32 0.00 3.09 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.90 4.37 0.00 3.21 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 69 E 8.18 4.03 0.00 2.11 2.16 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 2.31 2.36 0.00 70 S 7.97 4.23 0.00 3.94 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.12 5.00 0.00 2.83 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 72 P 0.00 4.78 0.00 2.21 2.18 0.00 3.91 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 73 E 8.35 4.15 0.00 2.22 2.29 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 2.46 2.41 0.00 74 L 8.25 3.93 0.00 2.07 1.89 0.56 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.22 4.43 0.00 3.27 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.92 3.85 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 77 L 8.30 3.81 0.00 1.86 1.86 1.14 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.97 3.53 1.99 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 0.97 0.00 0.00 1.15 0.00 0.00 79 N 7.98 4.02 0.00 2.70 2.73 0.00 0.00 7.24 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.39 3.72 0.00 1.28 1.12 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 0.00 2.15 2.36 0.00 81 A 7.56 3.89 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 82 V 7.84 3.60 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.84 0.00 0.00 83 K 8.06 3.99 0.00 1.92 1.80 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.46 7.81 84 A 8.16 4.10 1.56 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 0.00 0.00 85 L 7.86 4.02 0.00 1.91 1.73 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.13 4.12 0.00 4.04 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 3.99 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 88 A 7.99 4.18 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 89 K 7.83 3.96 0.00 1.99 2.02 0.00 1.69 0.00 0.00 1.93 0.00 0.00 3.21 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.64 7.81 90 A 7.35 4.52 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.28 4.62 0.00 3.81 3.76 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 92 T 8.31 4.36 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 93 D 8.25 4.52 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.60 0.00 2.20 2.21 0.00 3.94 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.93 0.00 95 A 8.68 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.27 3.99 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 97 G 8.12 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.31 4.00 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 99 K 8.17 3.77 0.00 1.97 1.97 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.32 7.81 100 A 7.90 4.18 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.97 4.00 0.00 1.91 1.74 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.23 4.34 0.00 2.60 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.78 4.42 0.00 3.22 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 0.00 104 I 8.14 3.78 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.93 0.00 0.00 105 A 8.24 4.12 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 0.00 106 Q 7.94 4.02 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 107 I 8.07 3.79 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.92 1.07 0.00 0.00 108 D 8.65 4.37 0.00 2.93 2.96 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 0.00 109 K 8.22 4.09 0.00 1.96 2.03 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.57 7.81 110 I 7.61 3.46 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.62 -0.18 0.00 0.00 111 F 8.57 4.05 0.00 3.02 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 0.00 112 W 8.29 4.17 0.00 3.54 3.24 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 0.00 113 E 8.07 4.11 0.00 2.19 2.14 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 2.43 2.67 0.00 114 T 7.78 4.03 4.07 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 0.00 0.00 1.28 0.00 0.00 115 K 7.48 4.03 0.00 1.96 1.92 0.00 1.48 0.00 0.00 0.91 0.00 0.00 2.83 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.38 0.21 7.81 116 K 7.68 4.34 0.00 1.81 1.91 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.80 7.81 117 A 7.92 4.33 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00