NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1554 8.2649 123.5771 52.0531 20.2577 176.7048 *2 Y 4.9613 7.9561 117.5576 57.5843 40.4434 176.0957 3 L 3.8563 9.0493 125.0895 58.4857 42.1493 179.6098 4 A 3.5204 7.5717 120.3758 54.9579 18.0472 179.3757 5 E 3.7282 7.6048 116.2556 59.4017 29.4958 179.1850 6 A 3.9496 7.7535 120.4819 55.2909 18.5300 179.6290 7 L 3.8525 7.8433 117.1233 57.7202 41.6244 179.6927 8 A 3.9633 7.7605 120.1220 55.3218 18.3191 179.5251 9 Q 3.9343 8.0888 116.5550 59.1558 28.7214 179.0190 10 R 3.8297 8.0898 119.5961 59.5830 29.9494 178.2533 11 V 3.5529 7.5529 117.2102 66.1603 31.4038 177.4188 12 E 3.9386 8.2851 118.3567 59.3077 29.3919 178.4023 13 A 4.0074 8.1969 120.7747 55.6365 18.5422 179.7139 14 Q 3.7218 8.3272 116.1464 58.6803 28.6420 179.3904 15 R 3.9558 7.6778 120.2578 59.2839 30.1496 178.4512 16 R 3.9023 8.3457 118.2832 59.5249 30.0293 177.9477 17 Y 4.1029 8.7526 119.7492 61.2067 38.7163 178.1723 18 S 4.0218 8.5152 113.5728 61.6331 62.3366 176.3004 19 E 3.9445 8.1589 120.9971 59.3088 29.2928 179.0608 20 L 3.8963 8.5701 119.6789 57.7221 41.5279 178.8536 21 N 4.0056 8.5275 117.7438 56.7858 38.8436 176.3918 22 Q 3.9449 7.9223 120.5246 59.1175 29.0979 177.6231 23 L 3.8551 7.9843 121.2429 58.3362 41.8306 178.4323 24 L 3.8306 7.8043 118.8637 58.5531 42.2670 178.7337 25 L 4.1080 7.6283 118.4599 57.8708 41.3420 179.3328 26 D 4.3573 7.7079 117.4623 57.2671 40.9590 178.6871 27 V 3.8661 7.8168 116.2355 62.8135 31.7645 177.4616 28 A 4.1440 7.7418 121.6328 54.9413 18.6687 176.5429 29 K 4.7394 8.3098 115.9122 56.2132 35.2403 174.4853 30 V 4.0474 7.0992 117.4858 62.9565 32.9395 169.3205 31 Q 4.6129 7.0479 117.7978 54.5968 30.8822 177.5803 32 E 3.2597 6.6734 113.4928 56.3985 30.8682 177.8880 33 G 4.1528 7.7442 109.0405 45.6985 0.0000 172.9460 34 D 4.8981 7.4275 122.0873 52.9009 43.0337 175.4868 35 Q 4.6378 8.1135 117.7233 54.0945 33.0089 172.8314 36 P 4.3359 0.0000 0.0000 62.6158 31.7182 177.2307 37 A 4.1763 8.5360 125.6737 54.3292 18.8379 176.9892 38 E 4.5736 7.5895 114.3321 53.5283 32.8497 174.6104 39 N 4.5476 8.7552 122.6567 53.1140 39.5729 173.5599 40 P 4.0222 0.0000 0.0000 66.6989 31.4201 177.7274 41 H 4.0575 8.1527 114.2577 59.1237 28.6070 177.7573 42 E 3.9256 8.1630 119.8534 59.5599 29.4058 179.0861 43 I 3.6391 8.0031 120.1352 64.3440 37.1525 178.1449 44 L 3.8982 8.5902 121.6036 58.4723 41.9315 179.2494 45 T 4.5566 7.6328 110.7337 64.4533 68.7238 176.0885 46 E 3.9574 8.4871 121.7099 59.0851 29.3363 179.2848 47 L 3.9425 7.6267 119.7748 58.2033 42.1994 178.8215 48 E 4.0322 8.3020 118.1243 59.0043 29.1296 179.2385 49 E 4.0494 8.2024 119.1309 59.0300 29.5724 178.7635 50 L 4.0478 7.7734 118.5481 58.3230 41.6406 179.3497 51 T 4.2186 8.2822 115.8290 67.2373 68.2900 176.6206 52 T 3.8503 7.6377 110.5507 64.2541 68.9009 176.0291 53 R 4.0905 7.5728 122.0558 59.1867 30.3331 177.9245 54 I 3.6531 8.5151 120.7771 64.8419 37.1575 178.2094 55 N 4.3377 8.4237 116.8158 55.9005 38.1200 176.9697 56 D 4.2387 7.9386 119.9712 57.2235 41.3589 177.7965 57 L 3.9154 7.9460 118.9116 58.0880 41.5534 179.5416 58 V 3.6963 7.9169 117.7306 66.1533 31.5133 177.9774 59 R 3.8735 7.7884 117.1521 59.5009 29.8970 179.3490 60 R 3.8459 8.2347 117.6248 59.3004 30.0615 178.8596 61 I 3.6475 8.3484 120.3888 64.7413 37.2933 177.6814 62 N 4.2140 8.7593 117.3878 56.7559 38.2143 177.2066 63 R 3.9151 8.2635 118.1789 59.9498 30.6406 178.8111 64 T 3.9966 8.1946 112.7055 65.1231 67.4395 175.8786 65 N 4.3859 8.5496 119.1784 55.9316 38.2885 176.3850 66 S 4.6510 7.5690 112.5834 58.3183 63.5062 174.7990 67 V 4.3618 7.6559 120.7570 62.5666 33.2929 175.3877 68 T 4.4196 7.6752 110.3086 59.8878 70.0667 173.6396 69 E 4.3236 8.7064 126.5469 56.3618 30.3195 175.8414 70 F 4.4753 8.7260 127.9246 59.8658 40.3779 174.8409 71 S 4.2734 7.8607 111.6920 57.0937 64.8061 173.0305 72 E 3.7096 8.8248 122.1146 57.0580 28.7566 174.8622 73 G 3.5144 8.3362 116.5677 46.1620 0.0000 171.4640 *75 T 4.3081 7.2705 113.1957 61.6448 71.6847 174.7158 76 L 3.9855 8.4037 122.1825 57.9621 41.8298 178.9329 77 A 3.9541 7.9137 120.7185 54.9707 18.3361 179.3728 78 D 4.2429 8.1970 117.5019 57.4684 40.8669 178.8427 79 A 3.7182 7.7232 121.0665 54.7210 18.1454 179.5443 80 L 3.8291 7.9587 118.0957 58.0709 41.6232 179.9723 81 S 4.3052 7.7803 114.1425 61.1873 63.0123 176.4849 82 V 3.5268 7.6220 121.7252 65.9290 31.2731 177.9148 83 R 3.9582 8.1174 118.3401 59.4752 29.7546 178.2466 84 D 4.3448 7.9314 118.0079 57.4194 40.8160 178.3960 85 A 3.9776 8.2294 121.4533 55.4227 18.3381 179.7064 86 L 3.9852 8.3983 117.7005 57.6299 41.6702 179.5513 87 L 3.5272 7.9511 120.1990 57.8990 42.1221 178.5234 88 K 3.7084 8.1141 119.9129 59.6551 32.1131 178.3317 89 K 3.7780 8.2787 119.7053 59.4694 32.1738 178.7004 90 R 3.9788 8.4699 119.2982 59.6998 29.9534 178.3957 91 T 3.7879 8.3049 115.8549 66.7398 68.4610 175.6604 92 L 3.7737 7.7729 121.7845 58.8639 41.9503 178.6844 93 Y 4.2688 7.6006 115.4870 61.1498 37.8831 178.8002 94 S 4.1602 8.1779 116.0405 61.8477 63.0995 176.6301 95 D 4.5245 8.1632 122.6161 56.7414 40.3733 178.4324 96 L 3.9350 7.8096 119.2125 58.2047 42.2562 178.6145 97 A 4.1752 8.5260 121.0691 55.2666 18.6122 178.9273 98 D 4.7694 8.2070 117.0404 54.4633 39.4553 177.6893 99 Q 4.1725 7.7686 120.6961 58.4044 29.2446 176.8040 100 L 4.3337 8.0618 119.2038 55.9733 42.1770 177.3374 101 T 4.4066 7.4023 107.3407 60.9720 69.4785 173.7981 102 S 4.3931 7.5083 117.4071 58.3954 62.6414 173.5832 103 R 4.4767 8.3341 124.1433 54.7905 31.1249 176.0016 104 Q 4.2416 8.1557 119.3357 54.1490 30.4438 174.2216 105 D 4.4789 8.7247 126.3355 54.1406 41.3006 176.6324 106 R 4.6682 8.4261 120.4479 54.9061 31.6986 175.2437 107 Y 4.5951 8.4050 118.2963 57.3499 40.2787 175.4269 108 S 4.4183 7.8031 113.8191 56.4467 64.9371 174.6555 109 R 4.0603 8.5667 126.1769 58.4270 29.9497 177.3557 110 S 4.4798 7.8497 110.7743 58.1866 63.6992 173.4559 111 E 4.3952 7.6581 121.9248 54.5735 30.1627 175.3052 112 I 3.5650 8.5376 117.5339 61.1160 37.3387 175.5087 113 K 4.3418 8.4764 126.4204 56.1203 32.9004 175.4790 114 Y 4.7611 8.5627 121.5973 56.7067 40.3243 175.5441 115 V 4.4481 8.0128 113.0712 59.4333 35.7130 174.6753 116 A 3.9374 8.7335 125.9683 53.3729 18.2131 177.3163 117 T 3.9927 8.4596 116.2375 62.8931 67.3155 173.7406 *119 D 4.2724 7.9529 119.0852 53.4242 41.2594 175.4511 120 A 4.0334 8.5373 129.8556 55.1547 18.2160 178.5635 121 R 3.8144 8.1053 117.0359 59.8399 30.0520 178.6410 122 E 3.8984 8.1109 117.9723 59.4110 29.5111 179.2200 123 I 3.5838 7.6889 119.2946 64.4688 37.1659 178.1048 124 R 3.8787 8.1971 119.6078 59.4736 29.8169 178.1910 125 K 3.8910 7.7650 117.7325 59.8180 32.1489 179.0060 126 K 3.6349 7.9476 117.9524 59.5087 31.8473 179.2749 127 A 4.0617 7.9312 120.6344 55.4384 18.5991 179.1066 128 D 4.3722 8.7542 117.9864 57.7525 40.8840 179.2492 129 L 3.8963 8.4570 120.6333 58.1382 42.2623 178.7507 130 A 4.1189 8.1727 120.4031 54.8323 18.2063 179.4126 131 A 4.0717 8.0362 119.5096 54.8696 18.8339 179.5251 132 K 3.9092 7.9158 117.6848 59.7287 32.2349 178.8376 133 E 3.9899 8.3049 118.7398 59.5517 29.4438 178.3202 134 Y 4.1291 7.8615 119.1096 61.0702 38.7783 178.2464 135 R 3.7755 8.2200 119.2361 59.5642 30.0946 177.9351 136 Q 3.9132 8.2229 119.1742 59.0087 28.9911 177.6749 137 L 3.9701 7.9322 121.1367 58.4440 42.0699 178.5737 138 D 4.1020 8.2354 117.7259 57.3391 41.0871 178.2430 139 V 3.5679 7.7803 118.5397 66.3191 31.5162 177.5479 140 D 4.4142 8.5077 118.8267 57.5808 40.6453 179.1249 141 I 3.9188 8.1363 120.4039 64.6000 36.9361 178.3719 142 Q 4.1431 8.3333 118.1057 58.9708 28.8401 178.9154 143 R 4.1163 8.2781 119.6795 59.4326 30.2442 178.3108 144 L 3.9447 7.9484 120.1560 58.3137 42.0766 178.4283 145 N 4.2427 8.6739 116.7956 55.8386 38.2599 176.3381 146 W 4.6183 7.8127 117.3916 56.3788 29.9768 176.2017 147 Q 4.2132 7.8980 117.4847 55.5471 28.6404 175.7441 148 T 4.5707 7.2123 113.7065 62.9520 72.4743 173.2550 149 E 4.6316 8.8320 126.0525 55.1309 30.4054 176.1353 150 L 3.9731 8.5626 125.8938 55.2114 42.4995 176.6734 151 Q 4.1824 8.6714 124.0523 56.3259 28.6320 176.0851 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 0 A 8.26 4.16 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 *2 Y 7.96 4.96 0.00 2.93 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.05 3.86 0.00 1.67 1.75 0.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.57 3.52 -0.37 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 5 E 7.60 3.73 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 6 A 7.75 3.95 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 7 L 7.84 3.85 0.00 1.83 1.67 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.76 3.96 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 9 Q 8.09 3.93 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 10 R 8.09 3.83 0.00 1.96 2.01 0.00 3.08 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 11 V 7.55 3.55 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 0.95 0.00 0.00 0.93 0.00 0.00 12 E 8.29 3.94 0.00 2.14 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 0.00 2.33 2.40 0.00 13 A 8.20 4.01 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 14 Q 8.33 3.72 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 15 R 7.68 3.96 0.00 2.00 2.12 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 16 R 8.35 3.90 0.00 2.11 2.00 0.00 3.22 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 1.67 1.81 0.00 17 Y 8.75 4.10 0.00 3.13 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.52 4.02 0.00 4.10 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 19 E 8.16 3.94 0.00 2.32 1.97 0.00 0.00 0.00 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 20 L 8.57 3.90 0.00 1.81 1.58 0.90 0.29 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 21 N 8.53 4.01 0.00 2.51 2.89 0.00 0.00 6.88 5.12 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 22 Q 7.92 3.94 0.00 2.43 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 23 L 7.98 3.86 0.00 1.76 1.79 0.90 0.38 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 24 L 7.80 3.83 0.00 1.66 1.81 0.86 1.04 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 25 L 7.63 4.11 0.00 1.82 1.68 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.71 4.36 0.00 2.81 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 27 V 7.82 3.87 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 0.72 0.00 0.00 0.97 0.00 0.00 28 A 7.74 4.14 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 29 K 8.31 4.74 0.00 1.71 1.74 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.37 7.81 30 V 7.10 4.05 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 0.64 0.00 0.00 0.98 0.00 0.00 31 Q 7.05 4.61 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.36 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 32 E 6.67 3.26 0.00 1.99 1.87 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 2.30 2.31 0.00 33 G 7.74 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.43 4.90 0.00 2.65 2.65 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 35 Q 8.11 4.64 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 36 P 0.00 4.34 0.00 2.04 2.04 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 37 A 8.54 4.18 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 38 E 7.59 4.57 0.00 1.87 1.75 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 2.18 2.28 0.00 39 N 8.76 4.55 0.00 2.81 2.93 0.00 0.00 7.02 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.02 0.00 2.00 1.94 0.00 3.67 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 41 H 8.15 4.06 0.00 3.27 3.38 0.00 5.62 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 42 E 8.16 3.93 0.00 2.29 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 2.33 2.36 0.00 43 I 8.00 3.64 1.97 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 1.38 1.23 0.85 0.00 0.00 44 L 8.59 3.90 0.00 1.80 1.65 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.63 4.56 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 1.30 0.00 0.00 46 E 8.49 3.96 0.00 2.26 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 2.33 0.00 47 L 7.63 3.94 0.00 1.89 1.77 0.64 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.30 4.03 0.00 2.08 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 0.00 2.35 2.57 0.00 49 E 8.20 4.05 0.00 2.30 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 2.33 2.44 0.00 50 L 7.77 4.05 0.00 2.04 1.87 1.06 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 51 T 8.28 4.22 4.48 0.00 0.00 0.00 0.00 0.00 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 52 T 7.64 3.85 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 53 R 7.57 4.09 0.00 1.95 2.21 0.00 3.13 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 54 I 8.52 3.65 1.96 0.00 0.00 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 1.51 0.65 0.84 0.00 0.00 55 N 8.42 4.34 0.00 2.74 2.85 0.00 0.00 6.73 8.91 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 56 D 7.94 4.24 0.00 2.99 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 57 L 7.95 3.92 0.00 1.86 1.70 0.91 0.78 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 58 V 7.92 3.70 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 1.00 0.00 0.00 0.96 0.00 0.00 59 R 7.79 3.87 0.00 1.93 1.97 0.00 3.33 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 60 R 8.23 3.85 0.00 1.96 1.96 0.00 3.29 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 61 I 8.35 3.65 2.05 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 1.48 0.80 0.88 0.00 0.00 62 N 8.76 4.21 0.00 2.94 2.88 0.00 0.00 7.09 7.68 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 63 R 8.26 3.92 0.00 1.97 2.01 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 64 T 8.19 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 1.30 0.00 0.00 65 N 8.55 4.39 0.00 2.89 2.84 0.00 0.00 6.70 7.33 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 66 S 7.57 4.65 0.00 4.05 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 67 V 7.66 4.36 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 0.85 0.00 0.00 0.97 0.00 0.00 68 T 7.68 4.42 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 1.25 0.00 0.00 69 E 8.71 4.32 0.00 1.96 1.91 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 2.35 2.42 0.00 70 F 8.73 4.48 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 71 S 7.86 4.27 0.00 3.89 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 72 E 8.82 3.71 0.00 1.92 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 2.31 2.42 0.00 73 G 8.34 3.51 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 *75 T 7.27 4.31 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 1.27 0.00 0.00 76 L 8.40 3.99 0.00 1.80 1.80 0.97 1.18 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 77 A 7.91 3.95 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 78 D 8.20 4.24 0.00 2.95 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.72 3.72 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.83 0.00 1.79 1.69 0.88 0.80 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 81 S 7.78 4.31 0.00 3.99 4.08 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 0.00 0.00 0.00 82 V 7.62 3.53 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 1.06 0.00 0.00 0.95 0.00 0.00 83 R 8.12 3.96 0.00 1.83 2.08 0.00 2.92 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.52 0.00 84 D 7.93 4.34 0.00 2.89 2.70 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 85 A 8.23 3.98 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 86 L 8.40 3.99 0.00 2.11 1.92 1.02 0.48 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 87 L 7.95 3.53 0.00 1.53 1.70 0.26 0.40 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 88 K 8.11 3.71 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 89 K 8.28 3.78 0.00 1.96 2.04 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.23 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.45 7.81 90 R 8.47 3.98 0.00 1.85 1.92 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 91 T 8.30 3.79 4.35 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 1.16 0.00 0.00 92 L 7.77 3.77 0.00 1.54 1.51 0.77 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.60 4.27 0.00 3.09 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 94 S 8.18 4.16 0.00 4.11 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 95 D 8.16 4.52 0.00 2.81 2.70 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 96 L 7.81 3.93 0.00 1.73 1.98 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.53 4.18 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 98 D 8.21 4.77 0.00 2.97 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 0.00 99 Q 7.77 4.17 0.00 2.12 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 100 L 8.06 4.33 0.00 1.84 1.72 0.99 1.13 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 0.00 101 T 7.40 4.41 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 1.28 0.00 0.00 102 S 7.51 4.39 0.00 4.06 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 0.00 103 R 8.33 4.48 0.00 1.96 1.91 0.00 3.19 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 104 Q 8.16 4.24 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 105 D 8.72 4.48 0.00 2.73 2.63 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 0.00 106 R 8.43 4.67 0.00 2.26 1.98 0.00 3.26 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.84 0.00 107 Y 8.40 4.60 0.00 2.93 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 0.00 108 S 7.80 4.42 0.00 3.76 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.57 4.06 0.00 1.79 1.95 0.00 3.22 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 110 S 7.85 4.48 0.00 3.96 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 0.00 111 E 7.66 4.40 0.00 2.27 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 2.36 2.30 0.00 112 I 8.54 3.56 1.78 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 1.39 0.66 0.90 0.00 0.00 113 K 8.48 4.34 0.00 1.78 1.76 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.55 7.81 114 Y 8.56 4.76 0.00 2.90 2.88 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 0.00 0.00 0.00 115 V 8.01 4.45 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 0.68 0.00 0.00 0.93 0.00 0.00 116 A 8.73 3.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.46 3.99 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 *119 D 7.95 4.27 0.00 2.82 2.61 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 0.00 120 A 8.54 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 3.81 0.00 1.92 2.27 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 122 E 8.11 3.90 0.00 2.24 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 0.00 2.45 2.48 0.00 123 I 7.69 3.58 2.01 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 1.72 0.96 1.07 0.00 0.00 124 R 8.20 3.88 0.00 2.03 1.92 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 125 K 7.77 3.89 0.00 1.99 1.79 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.59 7.81 126 K 7.95 3.63 0.00 1.23 0.74 0.00 1.32 0.00 0.00 1.04 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 1.38 7.81 127 A 7.93 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.75 4.37 0.00 2.88 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 0.00 129 L 8.46 3.90 0.00 1.76 1.78 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.17 4.12 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.04 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.92 3.91 0.00 2.08 1.94 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.56 7.81 133 E 8.30 3.99 0.00 2.14 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 2.37 2.51 0.00 134 Y 7.86 4.13 0.00 3.12 3.21 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 0.00 135 R 8.22 3.78 0.00 2.22 1.95 0.00 3.14 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 1.69 1.70 0.00 136 Q 8.22 3.91 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.47 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 137 L 7.93 3.97 0.00 1.94 1.66 0.84 1.13 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 0.00 138 D 8.24 4.10 0.00 2.11 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 7.78 3.57 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 0.98 0.00 0.00 0.94 0.00 0.00 140 D 8.51 4.41 0.00 3.04 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 0.00 141 I 8.14 3.92 2.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.83 0.90 0.00 0.00 142 Q 8.33 4.14 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.95 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 143 R 8.28 4.12 0.00 1.91 2.12 0.00 3.08 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 144 L 7.95 3.94 0.00 2.07 1.72 0.80 0.89 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 0.00 145 N 8.67 4.24 0.00 2.92 2.61 0.00 0.00 6.99 7.53 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 0.00 146 W 7.81 4.62 0.00 3.39 3.12 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 0.00 0.00 0.00 147 Q 7.90 4.21 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.22 0.00 148 T 7.21 4.57 4.19 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 0.00 0.00 1.22 0.00 0.00 149 E 8.83 4.63 0.00 2.04 1.95 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 2.44 2.57 0.00 150 L 8.56 3.97 0.00 1.58 1.60 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.67 4.18 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.42 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.