NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3411 0.0000 0.0000 62.4932 32.5256 176.5940 6 T 4.0043 8.1999 112.0705 60.9344 71.2357 174.0470 7 I 3.8507 8.2610 121.1718 64.6549 37.7948 179.1713 8 N 4.2475 8.3015 117.3012 56.9873 38.4355 176.6716 9 Q 4.0596 8.5302 119.8587 58.8902 28.8612 178.4755 10 L 4.0615 8.0051 120.0769 57.6145 41.4501 179.0937 11 V 3.9389 7.1643 114.4661 64.8577 31.4013 175.5173 12 R 4.5122 7.5699 112.8047 58.3006 33.5240 176.7865 13 K 3.9039 8.9919 120.4021 58.2306 32.4993 178.8188 14 G 3.9773 7.5231 106.6302 44.5754 0.0000 172.7891 15 R 4.2939 8.1772 117.3908 54.9815 31.1511 175.9914 16 E 4.4197 8.4445 122.5344 54.3073 30.4740 176.1418 17 K 4.1279 8.4604 125.6942 56.4751 32.1987 176.7010 18 V 3.5019 7.6212 114.2301 60.7148 32.0852 172.2650 19 R 3.9645 7.9548 129.8460 55.6821 30.6955 175.8535 20 K 4.6473 8.3713 123.4313 54.7426 35.1893 175.5241 21 K 4.1625 8.3427 120.2143 55.1905 33.0020 176.4779 22 S 4.1183 8.6093 118.5891 58.3802 61.3380 174.5613 23 K 3.8906 8.4181 127.5437 58.4174 32.0008 177.9879 24 V 4.1013 7.3777 118.6937 61.4112 32.6734 172.1668 25 P 4.5357 0.0000 0.0000 61.7007 29.6074 177.3412 26 A 4.1841 7.9361 122.2136 52.7020 18.4080 174.5198 27 L 3.2801 8.3888 125.9826 56.5252 42.0866 174.4930 28 K 3.9724 9.5441 119.9774 56.1409 30.8997 174.4612 29 G 3.9512 7.8907 101.8272 46.0628 0.0000 173.7236 30 A 4.4333 7.7942 120.3183 50.0228 20.2208 176.8228 31 P 4.0142 0.0000 0.0000 65.2547 31.3568 176.4079 32 F 5.0334 7.5534 112.2897 56.4232 43.8168 173.5128 33 R 4.7136 8.7384 117.9616 55.3739 33.6824 173.7883 34 R 4.8868 8.7804 126.0234 55.9855 32.2155 175.1889 35 G 4.5106 8.7748 111.0588 45.3492 0.0000 170.9748 36 V 4.9127 8.3333 118.7021 60.7338 34.5736 174.8551 37 C 4.5136 9.1494 126.2821 60.6814 27.8528 173.2451 38 T 4.3092 9.2387 118.9201 63.3599 68.6210 174.9160 39 V 4.5370 7.4698 119.0107 61.2342 35.5786 174.0642 40 V 4.7333 8.4249 125.4256 61.4983 33.9316 173.7479 41 R 4.7975 8.8832 129.0594 54.7241 34.2451 173.1439 42 T 5.0566 8.4975 113.5019 60.7208 69.3656 173.7567 43 V 4.6417 8.9658 123.0913 59.7740 34.8190 175.2891 44 T 4.6779 8.2683 112.9097 60.1131 70.1844 172.7263 45 P 4.5731 0.0000 0.0000 61.6636 32.1873 178.0858 46 K 4.4678 8.5144 128.6384 55.7284 30.3656 177.1590 47 K 3.8956 8.1459 116.0145 58.5448 32.3988 175.4237 48 P 4.4696 0.0000 0.0000 63.8017 32.3546 175.9881 49 N 4.9879 7.8003 116.1991 51.6165 40.6931 173.9428 50 S 4.6346 8.1243 114.1128 56.3684 65.9535 173.8118 51 A 4.4539 7.9894 128.0067 52.9838 23.1096 177.1319 52 L 4.9194 8.2851 106.8591 54.0469 43.0198 175.7145 53 R 4.2537 9.2805 121.8440 56.0851 32.0804 176.1331 54 K 4.8744 8.8319 122.7691 55.7046 33.6295 176.1730 55 V 4.9947 8.6341 117.4742 60.0503 36.8559 174.1442 56 A 5.5619 8.4774 120.7705 51.7786 23.0306 175.6034 57 K 4.7419 8.6802 120.7748 55.5225 34.0834 175.7651 58 V 4.6391 9.7654 125.5600 61.2389 34.1444 174.8079 59 R 4.6382 9.1638 129.3752 55.0925 29.8339 175.6602 60 L 4.7227 8.7602 126.5984 54.2095 42.5446 177.7009 61 T 4.0245 8.4455 110.9681 64.8882 69.0203 176.2975 62 S 4.4869 8.0540 115.9351 58.3331 62.8930 176.6622 63 G 4.0724 8.0402 110.6947 47.3552 0.0000 174.6214 64 Y 4.2722 8.0030 117.6985 57.6347 39.5075 174.6461 65 E 5.5492 8.7734 122.9025 53.8555 30.9104 174.8364 66 V 4.7398 8.2710 126.5230 61.0865 35.4284 174.0364 67 T 4.5565 8.5464 114.4057 60.8669 70.4034 173.7941 68 A 5.0200 9.0354 125.0332 50.5884 23.2427 174.7769 69 Y 4.5728 9.0461 121.7181 57.4348 40.6008 174.7775 70 I 4.2857 6.6438 125.8909 58.5046 38.0956 173.9462 71 P 4.1037 0.0000 0.0000 62.9518 31.9089 177.1614 72 G 4.0447 8.6764 107.2378 45.1290 0.0000 172.0965 73 E 4.4550 8.5629 118.0667 55.1402 30.6323 173.3973 74 G 4.1067 9.0341 119.0268 45.3242 0.0000 171.7404 75 H 5.0230 8.3597 116.8846 54.0918 31.6942 172.2486 76 N 4.9266 8.5218 114.8384 52.6679 37.5017 174.0434 77 L 4.5047 8.1891 119.5169 54.7396 42.6542 176.2421 78 Q 4.6396 8.8771 127.1105 54.7537 30.8214 175.1946 79 E 4.0796 8.8233 118.4377 59.7079 29.9028 178.0417 80 H 5.0434 8.0198 113.0668 55.2665 30.7330 174.0423 81 S 4.3245 8.1668 116.0001 59.0392 63.9252 173.5334 82 V 4.3317 9.9664 126.5267 62.4899 32.6823 175.0495 83 V 4.9317 8.8449 126.6672 61.0460 35.9479 173.3640 84 L 5.1804 8.4452 125.0247 53.2727 44.5567 174.6221 85 I 4.7049 9.0557 127.2894 60.2346 39.2756 175.5827 86 R 4.4671 10.0950 129.9012 56.3714 31.9836 173.8319 87 G 3.9558 9.0009 112.4845 45.7192 0.0000 172.8642 88 G 4.2882 7.5253 115.4621 44.8235 0.0000 173.8148 89 R 4.3401 8.2285 122.1265 56.4809 30.0774 177.0085 90 V 4.2354 7.8998 111.7191 61.9928 32.9550 172.5929 91 K 3.8945 7.9778 132.7223 54.5757 32.2414 174.8158 92 D 4.3518 7.0356 121.9420 54.0619 45.4494 174.5877 93 L 4.8362 8.2356 119.0867 51.8921 43.2286 174.5267 94 P 4.1433 0.0000 0.0000 64.1354 31.9377 176.7871 95 G 3.9572 8.6761 110.5020 46.9980 0.0000 174.9705 96 V 4.3139 7.3947 117.9542 60.6313 32.4541 174.7379 97 R 4.6995 7.9923 125.8409 54.9746 30.5147 174.8707 98 Y 5.1533 7.7270 114.6470 58.2984 42.5451 173.5030 99 H 5.4195 9.1603 118.5367 54.1474 32.6672 172.8901 100 I 4.6680 8.4186 122.9040 60.5589 38.1211 176.9870 101 V 3.8704 8.9883 128.1243 61.6872 30.6624 174.3593 102 R 3.7483 8.2213 123.9864 57.9305 30.4313 177.0894 103 G 3.9459 8.9481 110.2803 44.9852 0.0000 173.0829 104 V 4.1944 7.0786 117.2781 61.7637 35.1827 175.6242 105 Y 3.6495 7.6452 122.5819 60.0814 36.6083 171.1904 106 D 4.5634 9.4945 128.5178 55.4064 40.9203 175.6946 107 A 4.4296 8.2586 124.4610 50.4698 19.0842 176.4273 108 A 4.6267 8.9553 126.4998 51.3344 19.8697 177.2835 109 G 4.2444 8.5834 110.0041 45.2862 0.0000 173.0893 110 V 3.9042 8.0766 120.4857 62.6193 30.5536 175.7578 111 K 4.0485 8.7805 129.3673 56.8984 33.5212 176.3839 112 D 4.5517 8.6556 124.6264 55.2947 38.3800 173.6251 113 R 4.4215 7.1975 117.1940 55.5192 31.1088 176.1725 114 K 4.5723 8.2333 119.4521 57.5216 36.4451 178.5698 115 K 4.6055 7.4232 120.9871 54.9429 31.0101 179.9195 116 S 4.1028 8.7807 127.0203 60.4525 62.6228 173.7775 117 R 4.6346 8.4649 123.2672 56.3975 32.7115 178.2364 118 S 4.1170 8.1681 112.5578 60.8981 63.2422 174.7760 119 K 4.2279 7.9064 118.6435 57.0599 32.9769 176.6803 120 Y 3.3342 8.1649 117.5858 59.0164 36.0177 170.2626 121 G 4.0158 7.1576 106.4008 47.0628 0.0000 173.4024 122 T 4.7047 8.2153 119.9897 61.4487 71.6736 175.1183 123 K 4.0291 8.4233 124.6590 55.7296 32.7076 176.6914 124 K 3.8465 8.6228 124.2653 55.9528 32.0889 174.7995 125 P 4.4280 0.0000 0.0000 62.5579 32.0011 175.3483 126 K 4.4393 8.2328 120.3990 55.2736 33.3445 176.0616 127 E 4.1865 8.8439 123.6782 55.5381 29.9192 176.3361 128 A 4.1248 7.9582 127.4959 52.6756 18.8008 176.8289 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 5 P 0.00 4.34 0.00 2.19 2.12 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 6 T 8.20 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 1.21 0.00 0.00 7 I 8.26 3.85 1.87 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 0.49 0.91 0.00 0.00 8 N 8.30 4.25 0.00 2.75 2.84 0.00 0.00 7.15 7.12 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 9 Q 8.53 4.06 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 10 L 8.01 4.06 0.00 1.81 1.72 0.92 0.69 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 11 V 7.16 3.94 2.23 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 0.83 0.00 0.00 1.00 0.00 0.00 12 R 7.57 4.51 0.00 1.93 1.79 0.00 3.27 0.00 0.00 3.22 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.86 0.00 13 K 8.99 3.90 0.00 1.83 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.43 7.81 14 G 7.52 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 15 R 8.18 4.29 0.00 1.81 1.86 0.00 3.36 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 16 E 8.44 4.42 0.00 1.92 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 2.23 2.31 0.00 17 K 8.46 4.13 0.00 1.78 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.41 7.81 18 V 7.62 3.50 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 0.66 0.00 0.00 0.93 0.00 0.00 19 R 7.95 3.96 0.00 1.95 1.99 0.00 3.19 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 20 K 8.37 4.65 0.00 1.86 1.74 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.35 7.81 21 K 8.34 4.16 0.00 1.76 1.79 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.41 7.81 22 S 8.61 4.12 0.00 3.84 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 23 K 8.42 3.89 0.00 1.73 1.81 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 24 V 7.38 4.10 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 0.77 0.00 0.00 0.66 0.00 0.00 25 P 0.00 4.54 0.00 2.13 2.20 0.00 3.83 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 2.16 2.04 0.00 26 A 7.94 4.18 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 27 L 8.39 3.28 0.00 1.65 1.50 -0.39 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.54 3.97 0.00 1.80 1.79 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.41 7.81 29 G 7.89 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 30 A 7.79 4.43 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 P 0.00 4.01 0.00 2.06 1.89 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 32 F 7.55 5.03 0.00 2.92 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 33 R 8.74 4.71 0.00 1.89 1.66 0.00 3.26 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 34 R 8.78 4.89 0.00 2.02 1.75 0.00 2.72 0.00 0.00 2.71 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 35 G 8.77 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.33 4.91 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 0.95 0.00 0.00 0.90 0.00 0.00 37 C 9.15 4.51 0.00 3.02 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 38 T 9.24 4.31 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 1.27 0.00 0.00 39 V 7.47 4.54 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 0.89 0.00 0.00 0.93 0.00 0.00 40 V 8.42 4.73 2.11 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 1.03 0.00 0.00 0.99 0.00 0.00 41 R 8.88 4.80 0.00 1.87 1.77 0.00 3.27 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 42 T 8.50 5.06 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 1.23 0.00 0.00 43 V 8.97 4.64 2.10 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 0.74 0.00 0.00 1.02 0.00 0.00 44 T 8.27 4.68 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 1.22 0.00 0.00 45 P 0.00 4.57 0.00 2.08 2.26 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 46 K 8.51 4.47 0.00 1.78 1.39 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.36 7.81 47 K 8.15 3.90 0.00 1.74 1.70 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.37 7.81 48 P 0.00 4.47 0.00 2.21 2.14 0.00 3.78 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 1.97 1.97 0.00 49 N 7.80 4.99 0.00 2.79 2.75 0.00 0.00 6.64 7.57 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 50 S 8.12 4.63 0.00 3.77 3.68 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 51 A 7.99 4.45 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 52 L 8.29 4.92 0.00 1.52 1.60 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 53 R 9.28 4.25 0.00 2.00 2.06 0.00 3.22 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 54 K 8.83 4.87 0.00 1.59 1.55 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.55 7.81 55 V 8.63 4.99 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 0.94 0.00 0.00 1.05 0.00 0.00 56 A 8.48 5.56 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.68 4.74 0.00 1.73 1.75 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.45 7.81 58 V 9.77 4.64 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 0.92 0.00 0.00 0.94 0.00 0.00 59 R 9.16 4.64 0.00 1.93 1.91 0.00 3.19 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 60 L 8.76 4.72 0.00 1.72 1.57 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.45 4.02 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 1.24 0.00 0.00 62 S 8.05 4.49 0.00 4.13 4.13 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 63 G 8.04 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 0.00 0.00 0.00 0.00 64 Y 8.00 4.27 0.00 2.88 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 65 E 8.77 5.55 0.00 1.94 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 2.18 2.11 0.00 66 V 8.27 4.74 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 1.26 0.00 0.00 0.73 0.00 0.00 67 T 8.55 4.56 4.31 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 1.25 0.00 0.00 68 A 9.04 5.02 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 69 Y 9.05 4.57 0.00 2.92 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 70 I 6.64 4.29 1.55 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.57 0.65 0.00 0.00 71 P 0.00 4.10 0.00 1.62 1.73 0.00 3.51 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.22 0.00 72 G 8.68 4.04 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 0.00 0.00 0.00 73 E 8.56 4.46 0.00 1.99 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 2.27 2.34 0.00 74 G 9.03 4.11 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 0.00 0.00 0.00 75 H 8.36 5.02 0.00 3.19 3.21 0.00 5.47 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.52 4.93 0.00 2.79 2.86 0.00 0.00 5.88 7.79 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 77 L 8.19 4.50 0.00 1.79 1.70 0.91 1.00 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 78 Q 8.88 4.64 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 79 E 8.82 4.08 0.00 1.95 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 2.36 2.32 0.00 80 H 8.02 5.04 0.00 3.00 3.26 0.00 5.96 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.17 4.32 0.00 3.80 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 9.97 4.33 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 0.63 0.00 0.00 0.89 0.00 0.00 83 V 8.84 4.93 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 0.92 0.00 0.00 0.99 0.00 0.00 84 L 8.45 5.18 0.00 1.60 1.34 1.12 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.06 4.70 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.21 0.93 0.00 0.00 86 R 10.09 4.47 0.00 1.92 2.18 0.00 3.47 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 87 G 9.00 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 0.00 0.00 0.00 88 G 7.53 4.29 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 0.00 89 R 8.23 4.34 0.00 1.83 1.90 0.00 2.69 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 90 V 7.90 4.24 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 0.60 0.00 0.00 0.72 0.00 0.00 91 K 7.98 3.89 0.00 1.69 1.74 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.49 7.81 92 D 7.04 4.35 0.00 2.64 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 4.84 0.00 1.50 1.53 0.73 0.89 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 94 P 0.00 4.14 0.00 2.03 2.00 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 95 G 8.68 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 0.00 0.00 0.00 96 V 7.39 4.31 2.10 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 1.09 0.00 0.00 1.00 0.00 0.00 97 R 7.99 4.70 0.00 1.15 1.80 0.00 2.93 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 98 Y 7.73 5.15 0.00 3.00 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 99 H 9.16 5.42 0.00 3.17 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.42 4.67 1.92 0.00 0.00 0.82 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 0.59 0.88 0.00 0.00 101 V 8.99 3.87 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 0.74 0.00 0.00 0.96 0.00 0.00 102 R 8.22 3.75 0.00 1.73 1.76 0.00 3.39 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 103 G 8.95 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 0.00 104 V 7.08 4.19 1.63 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 -0.01 0.00 0.00 0.68 0.00 0.00 105 Y 7.65 3.65 0.00 3.24 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 0.00 0.00 0.00 106 D 9.49 4.56 0.00 2.89 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 0.00 107 A 8.26 4.43 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 0.00 108 A 8.96 4.63 1.30 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 0.00 0.00 109 G 8.58 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 0.00 0.00 0.00 0.00 110 V 8.08 3.90 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 0.80 0.00 0.00 1.22 0.00 0.00 111 K 8.78 4.05 0.00 1.89 1.66 0.00 1.91 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.47 7.81 112 D 8.66 4.55 0.00 2.87 2.74 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 0.00 0.00 0.00 0.00 113 R 7.20 4.42 0.00 1.73 1.79 0.00 3.10 0.00 0.00 3.01 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 114 K 8.23 4.57 0.00 1.68 1.73 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.40 7.81 115 K 7.42 4.61 0.00 1.63 0.99 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.35 7.81 116 S 8.78 4.10 0.00 3.67 3.85 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 0.00 117 R 8.46 4.63 0.00 1.82 2.06 0.00 3.12 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.93 0.00 118 S 8.17 4.12 0.00 4.02 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 0.00 119 K 7.91 4.23 0.00 2.25 1.92 0.00 2.01 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.56 7.81 120 Y 8.16 3.33 0.00 3.20 3.13 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 0.00 121 G 7.16 4.02 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 0.00 0.00 0.00 122 T 8.22 4.70 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 1.26 0.00 0.00 123 K 8.42 4.03 0.00 1.74 1.74 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.36 7.81 124 K 8.62 3.85 0.00 1.69 1.76 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.50 7.81 125 P 0.00 4.43 0.00 2.21 2.03 0.00 3.79 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 1.98 1.94 0.00 126 K 8.23 4.44 0.00 1.70 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.57 7.81 127 E 8.84 4.19 0.00 1.99 1.96 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 2.27 2.29 0.00 128 A 7.96 4.12 1.25 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 0.00 0.00 0.00