NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 L 4.1021 8.1801 120.6293 52.2237 42.3565 173.5677 11 A 3.7461 8.0333 122.2647 49.9724 20.0196 175.3639 12 A 3.9158 8.4841 126.0625 53.0292 19.1623 175.2360 13 R 3.8356 8.3222 121.2595 57.6369 30.5932 175.4795 14 Q 4.6057 8.8686 123.1325 53.9903 31.0676 174.9939 15 L 4.3301 8.3880 122.9070 53.1364 43.2792 176.0298 16 V 4.0784 7.9622 123.2531 60.1773 32.9641 174.6775 17 F 5.2774 8.6937 123.8679 55.4030 42.0538 174.8405 18 L 4.7315 8.9380 122.2064 53.1044 43.6198 175.6042 19 L 4.9625 8.3308 123.0327 51.7552 44.9705 174.8561 20 P 4.2164 0.0000 0.0000 62.9232 31.9509 177.1643 21 E 3.9303 9.0472 122.0569 60.1680 29.2898 179.5508 22 H 4.6452 7.8612 115.3293 57.6561 28.5866 177.2694 23 L 3.9310 7.2641 123.2905 58.2058 41.4590 179.5968 24 K 4.2060 7.4345 120.3961 56.3355 32.1116 181.9379 25 D 4.6716 9.2254 121.8044 56.4042 39.0229 178.8500 *31 K 4.3503 8.7592 129.6651 54.2971 34.9253 180.2565 32 K 4.8985 7.4580 127.1569 53.2807 34.6528 178.1814 33 S 4.1374 8.7161 113.3221 61.6926 62.5795 170.8565 34 S 4.6682 8.7534 120.0822 58.2573 64.2524 172.0764 35 L 4.8466 7.5511 119.1626 53.2282 43.3286 176.2483 36 L 4.7106 8.1407 123.2318 53.5634 45.7330 174.8172 37 F 5.2955 8.8826 124.7984 56.4418 40.7240 175.6653 38 V 4.6019 8.9250 121.6440 60.5320 34.8613 173.1119 39 K 4.9511 8.9822 128.1208 57.0774 33.5964 175.9055 40 L 4.7703 8.9999 126.6316 53.4200 46.3394 174.5341 41 A 4.6918 8.5928 120.4359 53.0121 18.1663 177.5389 42 N 4.5672 8.7698 120.8753 53.3042 38.7722 171.3806 43 P 4.4280 0.0000 0.0000 62.5385 31.8703 174.9819 44 H 3.8942 9.5999 117.3406 58.3357 28.0024 175.3810 45 S 4.5287 8.0266 117.5143 58.5025 60.9902 176.2854 46 G 2.7905 7.4356 102.0200 41.3529 0.0000 172.4480 47 E 3.5009 7.9913 133.4546 59.0376 28.8589 172.1467 48 G 4.4388 7.9708 114.4132 45.0865 0.0000 170.3893 49 A 4.6501 8.0284 124.2779 51.3599 22.5371 175.8414 50 T 4.7238 8.5165 118.3920 63.9322 70.5600 173.3594 51 Y 5.1243 8.7684 119.5332 56.9724 43.4376 173.3944 52 L 4.8858 9.1778 128.3283 54.1166 44.3093 175.5458 53 I 4.8174 8.5613 126.1047 58.9696 38.4768 172.0499 54 D 4.8218 8.4348 127.1883 51.5969 44.0266 175.5390 *56 C 4.1517 8.0673 113.2596 59.8464 29.2206 173.5901 57 L 3.5244 8.1690 120.5589 55.4305 39.5629 177.0239 58 Q 3.5422 8.6017 127.0359 56.1606 27.5546 175.3671 59 Q 3.4539 9.1897 121.0150 56.6372 26.5560 173.2131 60 L 3.8578 7.2816 117.9813 55.7824 43.8532 176.1905 61 F 5.3610 8.8786 121.5839 55.7819 43.4487 173.3351 62 E 4.7379 9.9991 125.5031 54.5816 31.3444 174.7477 63 I 5.3651 7.8224 125.1610 60.0095 38.4389 175.8056 64 K 4.7744 8.8181 130.6403 53.4347 34.8858 172.2959 65 V 4.8810 8.2420 115.2977 59.4028 34.3383 175.0067 66 F 4.7715 9.9506 129.0948 57.1643 40.7219 174.7812 67 K 4.4059 8.0002 125.8997 55.5825 34.2542 175.1887 68 E 4.4674 7.8759 124.9994 53.9743 32.2534 176.7002 69 K 3.6838 8.1482 121.6077 56.2254 32.6925 177.3717 70 H 4.0519 8.4897 118.0125 56.4163 25.0966 174.5341 71 H 4.9121 7.5169 114.4290 54.1116 32.9214 173.3113 72 S 4.7038 8.0489 115.7701 56.9442 66.6211 172.6563 73 W 4.9254 9.3578 120.2027 55.0317 31.4862 175.2410 74 F 5.5645 8.9426 123.2929 56.6584 39.5000 175.4666 75 I 4.4454 8.9146 124.9985 60.0259 39.7183 175.1279 76 N 3.9474 8.4463 126.2324 55.0320 37.6009 177.7308 77 Q 4.2967 8.4042 120.6702 54.4137 27.6962 174.1398 78 S 4.5290 7.3069 112.7312 57.6413 66.5696 175.4224 79 V 5.1713 8.3320 120.3419 59.9268 33.6900 174.7029 80 Q 4.7580 9.5496 125.0442 54.4039 31.2184 175.9223 81 S 4.4581 8.7363 117.8547 59.9783 62.5411 174.7788 82 G 3.5575 7.6055 106.9215 46.1131 0.0000 173.6915 83 G 3.5395 8.2830 110.2209 43.4690 0.0000 173.3047 84 L 4.4108 7.7095 119.4333 55.0113 42.5815 176.6234 85 L 4.8515 9.2565 124.7610 53.6952 45.0155 174.8232 86 H 4.9407 8.7710 124.7177 55.2229 30.2949 174.5570 87 F 5.2676 9.8067 121.6760 55.6822 41.7678 174.1469 88 A 5.4695 9.1382 126.2124 50.6157 20.4148 176.2422 89 T 4.6396 8.7979 112.5084 60.2107 72.3373 171.3873 90 P 4.7420 0.0000 0.0000 65.0214 30.4035 177.7356 *92 D 4.7718 9.0212 123.2730 53.1630 43.3254 178.6485 93 P 5.0488 0.0000 0.0000 63.4023 31.0968 180.5648 94 L 4.4012 8.5643 119.4336 55.3324 41.6154 178.2739 *95 F 4.1174 8.1755 116.8140 60.2395 38.0748 181.7892 96 L 4.5540 7.7078 118.0044 54.2248 40.9725 179.8538 97 L 4.5668 7.5353 118.9025 55.5725 42.1092 176.3953 98 L 4.4968 7.6381 120.1884 56.4645 43.4071 177.4788 *99 H 4.1947 7.7559 114.8791 57.2127 28.3651 181.4079 100 Y 4.4885 6.5470 120.9869 54.9215 36.6063 174.2604 101 L 4.4619 7.6161 126.4303 55.0942 44.8497 176.7788 102 L 3.5532 8.1374 117.0110 56.5229 39.6078 175.4395 *146 E 4.1950 7.8654 112.1407 55.1371 30.9266 179.7922 147 V 4.4760 6.8702 119.1801 61.3389 35.1520 173.0386 148 N 4.3169 8.4083 125.3816 54.1381 38.7157 173.7842 149 S 4.4237 8.7772 116.1892 58.4212 66.6122 172.4667 150 K 3.9104 8.7155 128.4922 56.3966 31.4518 176.7556 151 K 3.9818 8.6605 121.7446 56.1576 29.3761 177.8401 *152 Y 3.9717 7.7818 121.5354 61.6754 37.0912 180.2016 *153 Y 4.1941 8.1197 121.6669 60.4208 36.9926 181.3659 154 K 4.0217 8.1155 123.2667 58.0410 31.9603 180.5782 *155 Y 4.3955 7.6600 117.2588 59.5496 38.5066 181.4399 156 S 4.5219 8.0257 117.7017 58.3963 61.4810 182.6323 157 S 3.6537 9.1377 113.1396 59.3916 58.2147 172.0873 158 E 3.6879 8.1134 123.6366 55.3216 30.1479 177.8609 159 K 3.5347 8.3908 119.4913 57.5995 31.2992 173.9359 160 T 4.7828 8.0806 116.9120 57.5507 71.3098 172.5219 161 L 4.0035 8.5754 126.1727 57.1300 41.9237 178.5551 162 K 4.4836 7.8916 116.3332 56.1871 32.2475 178.0672 163 W 4.1687 8.8287 131.4031 60.2596 30.7317 177.7123 164 L 3.9601 8.1982 119.7341 58.2573 41.3941 177.9908 165 E 3.9298 9.2520 122.8210 60.2534 29.4413 179.7952 166 K 4.1993 7.6927 123.3669 59.3417 31.7281 181.2165 167 K 3.9800 8.1335 119.4776 59.3383 31.8214 179.3065 168 V 4.0752 8.1460 110.8739 61.5653 31.5291 176.5290 169 N 4.7545 7.3859 118.4620 54.9299 39.9167 175.9702 170 Q 4.0044 8.5605 121.5195 59.1129 28.5877 177.9778 171 T 4.2373 8.1131 109.4086 62.8232 69.1018 177.0415 172 V 3.6942 7.4440 121.1176 65.8629 31.8409 177.7549 173 V 3.7421 8.3166 119.1126 64.3397 31.1845 178.4130 174 A 4.0955 7.7193 123.3103 55.4257 18.0264 179.2936 175 L 4.5462 7.8160 120.7902 57.4379 41.2179 180.5705 176 K 4.6367 7.5713 124.3776 57.6713 32.7741 180.1651 177 A 4.8116 7.3775 117.0754 52.6847 19.5888 176.2644 178 N 5.0167 7.7178 114.5552 52.3545 42.6439 175.3663 179 N 4.7532 8.5194 121.1133 51.5693 37.1128 179.4496 180 V 4.1904 7.8027 131.4910 61.0131 31.8283 178.2141 181 N 4.7230 8.4632 116.9892 55.0972 39.7100 171.0865 *267 L 4.2831 7.8454 118.4910 55.4380 44.3962 173.6519 268 K 4.7051 8.7910 123.7257 57.6701 35.3682 179.4904 269 T 3.9713 9.1397 111.3248 59.8553 69.1760 174.4160 270 G 3.8309 8.6757 110.5540 47.7973 0.0000 173.1369 271 K 4.2099 8.4345 129.3310 54.5735 31.0627 178.2602 272 K 4.5515 8.6190 131.9168 54.6321 30.7083 175.7514 273 N 5.0316 8.1185 117.8788 53.1456 40.4382 179.0001 274 S 4.0001 8.3467 112.7067 61.5355 63.0802 175.1531 275 K 4.5156 7.3321 123.0943 54.2308 31.8088 181.0753 *277 T 4.3601 7.6531 116.3982 60.8584 71.0972 178.1935 278 A 4.0260 8.1051 123.2075 54.1115 18.4372 177.7176 279 A 4.5939 8.0322 118.0593 52.7135 20.0771 177.2866 280 Q 4.3868 8.0175 115.9808 56.4646 29.9273 182.2246 281 K 4.0528 7.7617 119.6383 51.9321 32.5815 178.6207 282 A 4.1213 7.7621 127.0156 52.6575 18.6002 177.1756 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 10 L 8.18 4.10 0.00 1.66 1.72 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.03 3.75 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 12 A 8.48 3.92 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 13 R 8.32 3.84 0.00 1.78 1.89 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 14 Q 8.87 4.61 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.42 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 15 L 8.39 4.33 0.00 1.59 1.28 0.87 0.75 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 16 V 7.96 4.08 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 0.11 0.00 0.00 0.49 0.00 0.00 17 F 8.69 5.28 0.00 2.88 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 18 L 8.94 4.73 0.00 1.39 1.57 0.59 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.33 4.96 0.00 1.36 1.37 0.68 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.22 0.00 1.76 1.88 0.00 3.18 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 1.46 2.00 0.00 21 E 9.05 3.93 0.00 2.01 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 2.40 2.39 0.00 22 H 7.86 4.65 0.00 3.35 3.57 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.26 3.93 0.00 1.49 1.67 0.49 0.68 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 24 K 7.43 4.21 0.00 1.90 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.35 7.81 25 D 9.23 4.67 0.00 2.86 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 0.00 0.00 0.00 *31 K 8.76 4.35 0.00 1.80 1.67 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 32 K 7.46 4.90 0.00 1.74 1.62 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 0.96 7.81 33 S 8.72 4.14 0.00 3.62 3.74 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 34 S 8.75 4.67 0.00 3.59 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 35 L 7.55 4.85 0.00 1.39 1.39 0.78 0.81 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 36 L 8.14 4.71 0.00 1.55 1.42 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.88 5.30 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 38 V 8.93 4.60 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 0.77 0.00 0.00 1.00 0.00 0.00 39 K 8.98 4.95 0.00 1.90 1.83 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.68 7.81 40 L 9.00 4.77 0.00 1.32 1.47 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.59 4.69 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 42 N 8.77 4.57 0.00 2.43 2.74 0.00 0.00 6.79 7.76 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 43 P 0.00 4.43 0.00 2.12 2.13 0.00 3.93 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 2.16 2.12 0.00 44 H 9.60 3.89 0.00 3.33 3.40 0.00 5.77 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.03 4.53 0.00 3.85 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 46 G 7.44 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 0.00 0.00 0.00 47 E 7.99 3.50 0.00 2.34 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 0.00 2.23 2.31 0.00 48 G 7.97 4.44 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 0.00 49 A 8.03 4.65 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 50 T 8.52 4.72 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 1.43 0.00 0.00 51 Y 8.77 5.12 0.00 3.10 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 52 L 9.18 4.89 0.00 1.66 1.65 -0.17 0.56 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 53 I 8.56 4.82 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 1.11 0.70 0.91 0.00 0.00 54 D 8.43 4.82 0.00 3.03 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 *56 C 8.07 4.15 0.00 3.28 2.97 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 0.00 0.00 0.00 57 L 8.17 3.52 0.00 1.80 1.75 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.60 3.54 0.00 2.21 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.23 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 59 Q 9.19 3.45 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 60 L 7.28 3.86 0.00 1.66 1.47 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.88 5.36 0.00 3.23 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 62 E 10.00 4.74 0.00 2.23 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 2.33 2.20 0.00 63 I 7.82 5.37 2.16 0.00 0.00 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 1.23 1.31 1.42 0.00 0.00 64 K 8.82 4.77 0.00 1.45 1.69 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.01 7.81 65 V 8.24 4.88 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 0.45 0.00 0.00 0.86 0.00 0.00 66 F 9.95 4.77 0.00 3.34 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 67 K 8.00 4.41 0.00 1.55 1.59 0.00 1.49 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.12 1.25 7.81 68 E 7.88 4.47 0.00 1.92 1.68 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 2.00 2.27 0.00 69 K 8.15 3.68 0.00 1.80 1.65 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.04 7.81 70 H 8.49 4.05 0.00 3.19 3.30 0.00 5.61 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 7.52 4.91 0.00 2.91 2.82 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.05 4.70 0.00 4.09 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 73 W 9.36 4.93 0.00 3.28 3.08 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 74 F 8.94 5.56 0.00 2.97 2.94 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 75 I 8.91 4.45 1.90 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.11 0.87 0.00 0.00 76 N 8.45 3.95 0.00 2.83 2.40 0.00 0.00 7.16 7.69 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 77 Q 8.40 4.30 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 78 S 7.31 4.53 0.00 3.76 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 79 V 8.33 5.17 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 0.84 0.00 0.00 1.22 0.00 0.00 80 Q 9.55 4.76 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 81 S 8.74 4.46 0.00 3.91 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 82 G 7.61 3.56 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 0.00 83 G 8.28 3.54 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 84 L 7.71 4.41 0.00 1.69 1.64 0.92 0.82 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 85 L 9.26 4.85 0.00 2.08 1.85 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.77 4.94 0.00 1.62 2.43 0.00 5.64 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 9.81 5.27 0.00 3.25 3.19 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 0.00 88 A 9.14 5.47 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 89 T 8.80 4.64 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 1.21 0.00 0.00 90 P 0.00 4.74 0.00 2.11 1.75 0.00 3.84 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.44 0.00 *92 D 9.02 4.77 0.00 2.72 2.41 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 93 P 0.00 5.05 0.00 2.11 1.35 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 2.17 0.00 94 L 8.56 4.40 0.00 1.59 1.70 0.92 0.98 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 *95 F 8.18 4.12 0.00 2.29 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 96 L 7.71 4.55 0.00 1.64 1.55 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.54 4.57 0.00 1.60 1.64 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.64 4.50 0.00 1.57 1.60 0.92 0.99 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 *99 H 7.76 4.19 0.00 2.97 2.92 0.00 7.24 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 6.55 4.49 0.00 2.35 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 0.00 0.00 0.00 0.00 101 L 7.62 4.46 0.00 1.56 1.76 0.94 1.08 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 0.00 102 L 8.14 3.55 0.00 1.84 1.76 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 *146 E 7.87 4.20 0.00 2.01 1.84 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 2.13 1.88 0.00 147 V 6.87 4.48 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 0.96 0.00 0.00 0.93 0.00 0.00 148 N 8.41 4.32 0.00 2.79 2.72 0.00 0.00 5.83 7.64 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 0.00 149 S 8.78 4.42 0.00 3.60 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.72 3.91 0.00 1.84 1.80 0.00 1.90 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 0.99 7.81 151 K 8.66 3.98 0.00 1.76 1.81 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 0.98 7.81 *152 Y 7.78 3.97 0.00 2.29 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 0.00 0.00 0.00 0.00 *153 Y 8.12 4.19 0.00 2.23 2.35 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 0.00 154 K 8.12 4.02 0.00 1.77 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.01 7.81 *155 Y 7.66 4.40 0.00 2.36 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 0.00 0.00 0.00 0.00 156 S 8.03 4.52 0.00 3.62 2.95 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 0.00 157 S 9.14 3.65 0.00 3.78 3.78 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 0.00 158 E 8.11 3.69 0.00 1.97 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 2.24 1.92 0.00 159 K 8.39 3.53 0.00 1.76 1.71 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.37 1.03 7.81 160 T 8.08 4.78 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 0.00 161 L 8.58 4.00 0.00 1.78 1.74 0.95 0.69 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 0.00 162 K 7.89 4.48 0.00 1.89 1.84 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.71 1.50 7.81 163 W 8.83 4.17 0.00 3.45 3.32 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 0.00 164 L 8.20 3.96 0.00 1.95 1.95 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 165 E 9.25 3.93 0.00 2.08 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 0.00 2.31 2.35 0.00 166 K 7.69 4.20 0.00 1.77 1.79 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.35 7.81 167 K 8.13 3.98 0.00 1.52 1.63 0.00 1.11 0.00 0.00 1.32 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 0.41 7.81 168 V 8.15 4.08 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 0.85 0.00 0.00 1.02 0.00 0.00 169 N 7.39 4.75 0.00 2.87 2.87 0.00 0.00 6.80 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 Q 8.56 4.00 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.51 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 171 T 8.11 4.24 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 0.00 172 V 7.44 3.69 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 0.90 0.00 0.00 0.96 0.00 0.00 173 V 8.32 3.74 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 0.77 0.00 0.00 0.92 0.00 0.00 174 A 7.72 4.10 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 0.00 175 L 7.82 4.55 0.00 1.75 1.54 0.92 0.80 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 0.00 176 K 7.57 4.64 0.00 1.81 1.73 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.30 7.81 177 A 7.38 4.81 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 0.00 178 N 7.72 5.02 0.00 2.66 2.66 0.00 0.00 6.84 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 N 8.52 4.75 0.00 2.74 2.64 0.00 0.00 6.61 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 0.00 180 V 7.80 4.19 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 0.86 0.00 0.00 0.93 0.00 0.00 181 N 8.46 4.72 0.00 2.69 2.63 0.00 0.00 6.49 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 *267 L 7.85 4.28 0.00 1.55 1.27 0.57 1.03 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 0.00 268 K 8.79 4.71 0.00 1.76 1.31 0.00 1.18 0.00 0.00 0.72 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.37 7.81 269 T 9.14 3.97 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 0.00 270 G 8.68 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 0.00 0.00 0.00 271 K 8.43 4.21 0.00 1.70 1.76 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.00 7.81 272 K 8.62 4.55 0.00 1.77 1.72 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.00 7.81 273 N 8.12 5.03 0.00 2.59 2.78 0.00 0.00 6.39 7.64 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 0.00 274 S 8.35 4.00 0.00 4.06 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 0.00 275 K 7.33 4.52 0.00 1.65 1.58 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.21 7.81 *277 T 7.65 4.36 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 0.00 278 A 8.11 4.03 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 0.00 279 A 8.03 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 0.00 280 Q 8.02 4.39 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.98 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 281 K 7.76 4.05 0.00 1.74 1.61 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.35 1.25 7.81 282 A 7.76 4.12 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 * Residues marked with a * may have inaccurate shift predictions.