NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3591 8.3001 120.3250 55.0276 33.8154 175.4554 2 A 4.0549 8.3666 123.9575 49.4129 20.0410 175.6735 3 P 4.1007 0.0000 0.0000 61.5205 33.1923 174.3007 4 V 3.2779 8.1574 121.0645 62.5772 30.8619 174.4137 5 L 3.2869 8.3109 128.8214 53.7496 40.9919 173.8514 6 E 4.9262 7.8972 116.1798 54.7263 32.5787 175.9158 7 N 5.4415 8.5411 118.1941 51.6114 36.3830 175.5016 8 R 4.1430 8.1957 126.9012 59.9553 31.3165 178.3026 9 R 3.8454 8.2596 117.5197 59.1795 30.4345 177.9108 10 A 4.6871 7.9700 119.2106 54.0488 19.3587 179.3071 11 R 3.8990 7.4181 115.1966 59.0119 30.4751 176.9053 12 H 4.5244 8.4105 116.7699 57.3764 30.5041 174.9610 13 D 4.8447 8.2503 116.8291 54.8965 43.1689 175.1349 14 Y 4.4946 7.5519 118.0720 55.3271 42.1712 173.1449 15 E 4.2447 6.4437 124.9396 55.4487 30.3912 175.8911 16 I 4.4169 8.1348 127.2407 60.2440 37.4033 174.8494 17 L 4.1231 8.4965 130.7805 56.1009 41.5792 175.6443 18 E 4.8618 7.9509 118.4805 54.5127 32.6180 174.4564 19 T 5.4598 8.5961 114.9926 59.1613 72.5997 172.0863 20 Y 4.9546 7.8005 118.4466 55.4629 42.1337 173.5900 21 E 4.8757 9.1103 121.3129 54.9097 31.2751 174.7250 22 A 4.6287 8.9736 129.0152 50.0710 22.7413 175.3921 23 G 3.9351 8.5025 106.0304 44.5839 0.0000 172.8283 24 I 4.3649 8.2275 128.7367 59.3385 38.4639 175.8920 25 A 4.5796 8.7479 129.1185 50.3808 19.9324 175.9199 26 L 5.8250 8.2832 118.4266 53.0500 43.4889 176.7023 27 K 4.3718 8.6612 121.3308 55.4664 33.7742 177.5936 28 G 3.6544 8.7459 107.5759 48.8316 0.0000 175.5255 29 T 3.9915 7.7801 108.6971 62.2196 69.9622 176.2639 30 E 3.9506 7.7364 121.7857 59.6299 29.2343 179.2528 31 V 3.6663 7.4493 118.0344 65.6044 31.4340 178.4029 32 K 3.9365 8.0251 118.4249 59.6753 31.9891 179.6257 33 S 4.0788 7.8851 114.9379 61.1176 62.8390 176.4474 34 L 3.5686 8.6777 124.3009 58.1373 41.6840 179.0574 35 R 3.9762 7.9849 116.9272 58.0101 29.9665 176.6018 36 A 4.6451 7.7575 120.7057 51.5156 19.4197 176.0580 37 G 4.5355 7.4492 106.7827 44.4196 0.0000 173.9571 38 K 4.5234 8.6843 123.0008 54.3038 34.3980 175.3279 39 V 4.7990 8.0812 126.4535 59.7256 34.5415 175.1218 40 D 4.6027 8.4045 122.4895 53.7027 41.2543 175.9946 41 F 4.9439 10.0588 126.2022 58.4016 39.4619 174.4548 42 T 4.1253 9.9760 116.5273 60.3819 68.1600 170.8473 43 G 4.0140 8.1406 113.3058 46.4353 0.0000 172.8476 44 S 5.0537 7.5715 112.2088 56.5959 65.0461 172.5620 45 F 5.6897 8.8380 118.5868 55.5051 43.4192 173.5593 46 A 5.3251 8.7330 121.5118 50.3499 22.4980 175.2195 47 R 4.9093 9.0613 120.6880 54.5205 32.9875 175.0446 48 F 5.0463 9.0443 120.8127 54.9921 39.2499 174.4281 49 E 4.2135 8.7049 126.1469 56.3146 30.2918 175.8591 50 D 4.4867 8.5348 112.6668 53.3111 38.2363 174.2465 51 G 4.9047 6.8742 118.5363 46.5118 0.0000 171.3511 52 E 4.4564 7.3758 118.4825 54.1574 34.2781 174.9058 53 L 4.5923 7.7144 125.0022 53.6265 43.8120 174.5395 54 Y 4.6624 8.4365 124.0587 56.6554 39.6810 175.4664 55 L 4.5174 8.8667 123.1481 55.5770 42.0416 175.6637 56 E 4.5392 9.1991 121.9041 57.1364 31.8016 176.1277 57 N 5.0111 8.4989 114.7876 53.1669 40.2129 173.9113 58 L 4.6325 8.2312 117.6345 53.0923 42.5636 175.2596 59 Y 4.9497 8.3631 122.3195 57.1852 39.8769 174.6781 60 I 4.5024 8.5259 124.0614 59.6262 39.3510 174.9746 61 A 4.5929 8.8281 129.1582 49.5271 20.5514 174.8097 62 P 4.2140 0.0000 0.0000 66.1232 31.9563 176.4520 63 Y 4.7061 7.1732 118.6692 57.5891 40.8720 172.5418 64 E 4.4672 8.2394 115.1482 55.0394 29.9397 177.6836 65 K 3.7514 7.9060 120.1241 59.9134 32.6627 177.8234 66 G 3.7317 7.4800 109.6520 43.5510 0.0000 172.8556 67 S 3.9553 7.5226 118.3526 58.2826 65.0031 174.9462 68 Y 4.9434 7.5315 119.7345 57.1291 39.5181 176.0543 69 A 4.0615 9.0726 124.6820 56.3757 18.4617 177.1538 70 N 4.3374 7.5969 108.0660 53.4168 39.9561 172.5619 71 V 4.2206 8.1419 117.6229 59.6288 32.9545 175.8327 72 D 4.6453 8.5223 125.3859 52.7977 42.0819 172.8455 73 P 4.3293 0.0000 0.0000 63.4116 31.0636 175.7609 74 R 4.4344 8.5691 121.7584 56.1466 36.0900 175.9164 75 R 4.3693 8.2454 113.1623 57.5016 29.2591 176.1734 76 K 4.3280 8.1295 120.4688 55.3988 31.5897 175.8829 77 R 4.0771 7.6471 108.7527 55.7986 28.5516 174.3292 78 K 4.0186 8.6656 114.1591 56.1188 29.0923 175.6183 79 L 4.1813 7.4442 118.6523 55.5782 43.7972 177.8693 80 L 4.7332 8.3030 120.2069 53.0251 43.9544 175.3814 81 L 4.8008 8.0598 123.3863 52.5299 44.7601 176.3749 82 H 4.0807 8.7154 120.0505 56.1118 29.5123 176.2715 83 K 3.9165 8.8473 124.3870 60.0621 31.5142 178.6097 84 H 4.3068 8.2828 115.9520 59.0027 28.3845 177.4108 85 E 4.0883 8.3135 120.4830 58.9682 29.1413 179.1232 86 L 3.8641 7.6139 120.0187 58.2631 42.3798 178.9125 87 R 3.9690 8.0270 118.6672 59.0809 29.7339 178.5302 88 R 3.8227 7.5070 117.4071 59.2599 30.2780 177.9720 89 L 4.0846 7.7119 120.1105 58.1170 41.7844 178.6368 90 L 3.9843 7.9302 120.4697 57.7963 41.7746 178.9342 91 G 3.5522 7.7280 104.8032 47.0860 0.0000 175.1522 92 K 4.1845 7.6434 120.5481 58.9664 32.1669 179.5210 93 V 3.5938 7.2103 111.4717 64.0986 31.4909 177.7559 94 E 4.0122 8.0779 117.6259 58.7477 29.4215 177.0964 95 Q 3.5105 7.8758 114.5153 58.0364 29.0000 176.8468 96 K 4.1890 8.2362 123.1834 58.4212 35.2692 174.4632 97 G 3.8664 8.6024 115.7202 45.7954 0.0000 171.5238 98 L 5.8335 7.9088 117.2831 51.8796 45.1751 175.4352 99 T 4.7478 8.0442 110.3465 59.6076 73.1778 172.1739 100 L 4.9729 7.8379 120.4895 53.8770 43.4726 175.8784 101 V 4.6417 7.7393 120.5446 58.5094 35.2564 173.7200 102 P 4.9218 0.0000 0.0000 66.6251 29.5583 178.5532 103 L 3.5738 6.4311 122.8756 55.2731 43.7706 178.7980 104 K 5.1225 8.2507 118.4985 54.6586 35.2845 175.3773 105 I 5.1570 9.2624 126.1763 60.1606 39.0797 174.5693 106 Y 4.7810 9.3066 125.8653 56.5131 40.2587 175.1878 107 F 5.0569 8.5775 119.7809 56.1304 43.2962 173.8778 108 N 5.1851 8.5907 116.0329 51.7682 43.0560 175.3910 109 E 4.1669 9.1576 122.0700 58.1275 29.8907 177.4657 110 R 4.3271 7.8932 117.7693 56.7747 30.0119 175.9536 111 G 3.9266 8.0989 103.6068 46.4766 0.0000 172.9551 112 Y 4.3626 8.0102 120.5791 55.3262 41.5517 173.5744 113 A 5.1237 7.7898 127.3866 49.0691 22.1954 174.5285 114 K 4.8103 8.4918 120.9406 54.7930 34.7618 175.4472 115 V 4.9513 8.5877 124.6999 61.0170 34.2726 173.7128 116 L 5.1868 8.7749 129.9058 53.2782 44.4216 174.5956 117 L 4.5530 8.2104 128.3586 53.3870 42.9447 175.4345 118 G 3.9066 8.6264 112.2460 44.2692 0.0000 171.2575 119 L 5.2644 9.1110 129.9946 53.2294 43.5025 175.0858 120 A 4.9264 8.3262 128.5158 50.0354 20.1498 175.3471 121 R 4.3189 8.0325 119.5492 54.6177 30.2612 177.4529 122 G 3.6370 8.4939 112.9521 47.9238 0.0000 172.9825 123 K 4.3105 7.2435 122.9348 56.4741 32.2479 176.1657 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 4.36 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 A 8.37 4.05 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.10 0.00 1.81 1.65 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 4 V 8.16 3.28 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 0.85 0.00 0.00 0.95 0.00 0.00 5 L 8.31 3.29 0.00 1.17 0.20 0.65 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.90 4.93 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.36 0.00 7 N 8.54 5.44 0.00 2.94 3.20 0.00 0.00 6.42 7.70 0.00 0.00 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 R 8.20 4.14 0.00 1.95 2.19 0.00 3.30 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 9 R 8.26 3.85 0.00 1.86 1.88 0.00 3.15 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 10 A 7.97 4.69 1.33 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 0.00 0.00 0.00 11 R 7.42 3.90 0.00 1.93 2.00 0.00 3.26 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 12 H 8.41 4.52 0.00 3.21 3.36 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.25 4.84 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.55 4.49 0.00 2.96 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 15 E 6.44 4.24 0.00 1.65 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 16 I 8.13 4.42 1.86 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 1.35 0.93 0.90 0.00 0.00 17 L 8.50 4.12 0.00 1.78 1.57 0.91 0.86 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 18 E 7.95 4.86 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 19 T 8.60 5.46 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 1.13 0.00 0.00 20 Y 7.80 4.95 0.00 2.97 3.17 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 0.00 0.00 0.00 21 E 9.11 4.88 0.00 2.03 1.93 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 2.21 2.31 0.00 22 A 8.97 4.63 1.18 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 0.00 0.00 23 G 8.50 3.94 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 24 I 8.23 4.36 1.66 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.10 1.19 0.00 0.00 25 A 8.75 4.58 1.27 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 0.00 0.00 26 L 8.28 5.82 0.00 1.79 2.07 1.27 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.66 4.37 0.00 1.85 1.78 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.46 7.81 28 G 8.75 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 3.99 4.23 0.00 0.00 0.00 0.00 0.00 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 30 E 7.74 3.95 0.00 2.26 2.05 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 2.32 2.39 0.00 31 V 7.45 3.67 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 1.14 0.00 0.00 1.06 0.00 0.00 32 K 8.03 3.94 0.00 1.83 1.80 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 33 S 7.89 4.08 0.00 3.80 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.68 3.57 0.00 1.32 1.05 0.17 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.98 3.98 0.00 1.85 1.97 0.00 3.28 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 36 A 7.76 4.65 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 37 G 7.45 4.54 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 0.00 38 K 8.68 4.52 0.00 1.78 1.60 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.26 7.81 39 V 8.08 4.80 1.94 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 -0.09 0.00 0.00 1.18 0.00 0.00 40 D 8.40 4.60 0.00 2.69 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 F 10.06 4.94 0.00 3.01 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 42 T 9.98 4.13 4.27 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 1.24 0.00 0.00 43 G 8.14 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.57 5.05 0.00 3.86 3.80 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 45 F 8.84 5.69 0.00 3.01 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 46 A 8.73 5.33 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 47 R 9.06 4.91 0.00 2.21 1.95 0.00 3.01 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.53 0.00 48 F 9.04 5.05 0.00 3.17 3.11 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 0.00 0.00 0.00 0.00 49 E 8.70 4.21 0.00 2.11 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 2.28 2.21 0.00 50 D 8.53 4.49 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 6.87 4.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.38 4.46 0.00 1.79 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 2.02 2.15 0.00 53 L 7.71 4.59 0.00 1.51 1.27 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.44 4.66 0.00 3.07 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 55 L 8.87 4.52 0.00 1.77 1.79 1.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.20 4.54 0.00 2.08 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 2.27 2.35 0.00 57 N 8.50 5.01 0.00 3.03 3.03 0.00 0.00 7.38 7.24 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 58 L 8.23 4.63 0.00 1.71 1.88 0.67 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.36 4.95 0.00 2.92 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.53 4.50 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.86 0.00 0.00 61 A 8.83 4.59 1.24 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 0.00 0.00 62 P 0.00 4.21 0.00 2.22 2.17 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 63 Y 7.17 4.71 0.00 2.91 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 64 E 8.24 4.47 0.00 1.93 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 2.23 2.29 0.00 65 K 7.91 3.75 0.00 1.70 1.67 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.02 1.37 7.81 66 G 7.48 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.52 3.96 0.00 3.83 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.53 4.94 0.00 3.02 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 69 A 9.07 4.06 1.32 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 0.00 0.00 0.00 70 N 7.60 4.34 0.00 2.59 2.69 0.00 0.00 6.91 7.77 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 71 V 8.14 4.22 2.25 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 0.82 0.00 0.00 0.86 0.00 0.00 72 D 8.52 4.65 0.00 2.67 2.59 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 0.00 0.00 0.00 73 P 0.00 4.33 0.00 2.10 2.04 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 74 R 8.57 4.43 0.00 1.74 1.91 0.00 3.41 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.00 75 R 8.25 4.37 0.00 1.90 2.10 0.00 2.90 0.00 0.00 3.83 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 76 K 8.13 4.33 0.00 1.93 2.19 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.53 7.81 77 R 7.65 4.08 0.00 2.14 2.49 0.00 3.16 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 78 K 8.67 4.02 0.00 2.05 2.20 0.00 1.95 0.00 0.00 2.03 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.15 1.24 7.81 79 L 7.44 4.18 0.00 1.92 1.61 1.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.30 4.73 0.00 1.61 1.40 0.84 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.06 4.80 0.00 1.12 1.25 -0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.72 4.08 0.00 3.19 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.85 3.92 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.88 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.68 7.81 84 H 8.28 4.31 0.00 3.19 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.31 4.09 0.00 2.06 2.05 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 2.38 2.50 0.00 86 L 7.61 3.86 0.00 1.62 1.78 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.03 3.97 0.00 2.02 1.94 0.00 3.37 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 88 R 7.51 3.82 0.00 1.98 1.96 0.00 3.27 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 89 L 7.71 4.08 0.00 1.90 2.09 1.08 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.93 3.98 0.00 1.71 1.75 -1.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 91 G 7.73 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 4.18 0.00 1.84 1.81 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.82 7.81 93 V 7.21 3.59 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 0.63 0.00 0.00 0.83 0.00 0.00 94 E 8.08 4.01 0.00 1.82 1.93 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 2.30 2.43 0.00 95 Q 7.88 3.51 0.00 2.27 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 96 K 8.24 4.19 0.00 1.67 1.67 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.16 1.23 7.81 97 G 8.60 3.87 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 0.00 0.00 0.00 98 L 7.91 5.83 0.00 1.59 1.44 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.04 4.75 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 100 L 7.84 4.97 0.00 1.75 1.73 1.09 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.74 4.64 1.79 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 0.65 0.00 0.00 0.63 0.00 0.00 102 P 0.00 4.92 0.00 2.10 2.37 0.00 3.54 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 103 L 6.43 3.57 0.00 1.64 1.64 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.25 5.12 0.00 1.75 1.87 0.00 1.99 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.72 7.81 105 I 9.26 5.16 2.35 0.00 0.00 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 1.66 1.10 1.45 0.00 0.00 106 Y 9.31 4.78 0.00 2.93 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 0.00 107 F 8.58 5.06 0.00 2.84 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 0.00 108 N 8.59 5.19 0.00 2.99 2.73 0.00 0.00 6.95 7.67 0.00 0.00 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 E 9.16 4.17 0.00 2.04 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 0.00 2.42 2.34 0.00 110 R 7.89 4.33 0.00 1.80 1.93 0.00 3.42 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 111 G 8.10 3.93 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 0.00 0.00 0.00 0.00 112 Y 8.01 4.36 0.00 3.04 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.79 5.12 -0.27 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 0.00 0.00 114 K 8.49 4.81 0.00 1.76 1.73 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.48 7.81 115 V 8.59 4.95 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 1.16 0.00 0.00 1.03 0.00 0.00 116 L 8.77 5.19 0.00 1.77 1.45 0.90 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.21 4.55 0.00 0.27 0.51 0.70 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.63 3.91 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 0.00 0.00 0.00 119 L 9.11 5.26 0.00 1.65 1.68 0.87 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.33 4.93 0.76 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 0.00 0.00 121 R 8.03 4.32 0.00 1.88 2.05 0.00 3.02 0.00 0.00 3.43 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 122 G 8.49 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.24 4.31 0.00 1.73 1.72 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.49 7.81