NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4371 8.3001 120.3311 55.3152 32.9551 174.2801 2 A 4.7102 8.0324 125.7213 48.4575 22.1543 173.6286 3 T 5.0842 8.7380 110.4207 59.9650 72.7809 171.2567 4 F 5.2512 9.3782 120.8086 56.1996 43.8573 173.5081 5 Y 5.1800 9.0501 118.4677 56.6367 40.9359 174.3633 6 E 5.2321 8.7463 121.4072 54.4681 33.1736 174.3766 7 V 4.7393 8.8287 126.6059 61.1745 34.6262 173.8796 8 I 4.8200 8.8763 129.2365 59.6398 39.3787 174.6205 9 V 4.7322 8.5229 127.2098 61.1450 33.7507 174.5865 10 R 4.9568 9.0361 127.8027 55.5817 31.4166 176.3668 11 V 4.5672 9.2015 123.1063 60.7671 34.4704 171.5383 12 P 5.4522 0.0000 0.0000 63.2009 31.0940 177.6635 *13 F 4.1745 8.9842 113.0781 57.8724 38.3050 171.0128 14 D 4.5475 8.3531 120.5975 54.6365 37.4107 173.0809 15 V 4.3625 7.1893 120.1924 61.7968 34.1490 174.4137 16 E 4.0918 8.9937 117.4954 59.1187 29.4207 177.8781 17 E 4.0485 7.9847 118.2529 58.1594 30.1077 176.4915 18 H 4.8577 8.7048 113.6067 55.1422 31.6947 172.9536 19 L 4.5484 7.3203 118.3956 51.9672 41.8203 174.4314 20 P 4.5795 0.0000 0.0000 64.5533 31.8297 177.6068 21 G 3.9315 9.2507 112.3751 44.7375 0.0000 173.4933 22 I 3.7308 7.1214 119.7714 60.9357 38.6698 175.8508 23 S 4.4495 8.7529 122.7133 58.2950 63.5245 175.3122 24 D 4.5377 8.7388 122.1809 57.4008 40.4073 179.0591 25 S 4.2058 8.3116 114.6656 61.4560 62.6320 176.3465 26 F 4.2858 8.4194 124.0616 61.4278 39.2828 177.3522 27 V 3.6420 8.0852 117.3451 65.9641 31.1358 177.4037 28 D 4.3895 8.1106 118.0576 57.1117 40.9435 178.3912 29 W 4.3184 8.3367 128.6887 60.7507 30.7905 178.5723 30 V 2.7103 7.2784 112.3962 63.7454 30.6228 178.1308 31 T 4.2339 7.6538 107.8867 62.9299 69.2055 176.4508 32 G 3.8432 7.4495 107.0857 44.8292 0.0000 173.4949 33 Q 4.1346 7.4896 122.5058 55.4006 29.6665 174.6602 34 I 4.5087 8.1287 126.3165 59.6904 38.6077 174.9333 35 W 4.6261 9.5216 125.5861 54.8393 30.9763 175.3393 36 E 4.9588 8.6657 120.9212 54.4346 32.2023 175.4549 37 L 4.6597 8.4135 121.0827 53.2364 43.0423 175.5269 38 P 4.5554 0.0000 0.0000 61.6028 32.0049 175.6728 39 P 4.2626 0.0000 0.0000 65.7351 31.1116 177.0522 40 E 4.2266 8.0249 114.0664 56.5277 30.1326 176.2941 41 S 4.5994 8.0172 114.6252 57.2804 63.1600 173.0581 42 D 4.8801 8.2980 123.9937 52.9541 39.6114 175.9001 43 L 4.1152 7.4713 119.5012 54.8664 42.4894 176.1852 44 N 4.7244 9.2378 119.1731 51.6811 38.7670 174.9721 45 L 4.1561 8.5074 129.3801 58.1111 42.3722 178.9963 46 T 4.0608 7.8735 107.2734 63.5927 68.7428 174.8447 47 L 4.3979 7.8179 121.0117 54.5906 42.0535 176.1344 48 V 4.3138 7.5681 119.9995 61.5751 32.4491 176.2057 49 E 4.3322 9.4643 128.3287 55.2295 28.9612 177.1401 50 Q 3.6309 8.3422 124.1543 58.2297 28.9382 176.8084 51 P 4.4860 0.0000 0.0000 65.1421 31.3541 178.7087 52 Q 3.7780 7.6640 116.2990 58.7027 28.5214 178.3264 53 L 3.3043 7.7461 121.4163 58.0627 41.8294 179.1652 54 T 4.0690 7.7363 116.0681 66.6120 68.2621 176.8261 55 V 3.5481 7.2297 119.4557 65.7990 31.5113 177.8653 56 A 3.7643 7.7312 120.6813 55.1832 17.9792 179.1381 57 D 3.7247 8.1932 116.8590 57.1425 41.2865 178.4720 58 R 3.8779 7.9249 119.0403 59.3885 30.1383 178.4784 59 I 3.7393 7.9825 119.8129 64.3887 37.1037 178.0706 60 R 3.6336 7.9968 119.7356 59.7253 29.6987 178.7163 61 R 3.8422 7.9195 117.6330 59.1634 30.0248 179.3403 62 V 3.6036 7.8594 118.1525 65.7499 31.4401 177.8282 63 F 4.0585 8.6987 120.8576 61.4726 39.2212 177.1719 64 L 4.1410 8.5129 119.0359 57.8062 41.1249 178.8790 65 Y 3.9892 8.1064 118.8425 60.8389 38.9653 177.7597 66 E 3.8091 8.3935 119.4864 58.8712 29.4367 179.0800 67 W 4.0981 8.3610 128.6918 60.7318 30.8307 177.8067 68 N 4.7583 8.4632 117.6814 55.6635 37.6437 177.5404 69 K 3.7592 7.0453 119.4855 58.9689 32.0558 179.0826 70 F 4.2020 7.1998 117.2384 60.2201 39.1787 177.5246 71 S 4.2333 8.3443 113.3326 58.5365 63.0409 174.3967 72 K 3.9118 7.7568 121.1454 56.9472 29.8463 174.6265 73 Q 4.5076 7.5091 112.6272 55.8860 30.5442 173.9563 74 E 4.5486 8.6245 120.8134 54.3828 28.0877 175.1947 75 S 4.3809 8.4581 118.0550 58.5284 64.0024 174.7561 76 K 4.7206 8.6398 123.1643 56.8449 32.7389 176.0281 77 F 5.6029 9.1806 117.5478 56.1593 42.1595 173.1183 78 F 5.0545 9.5604 122.0191 57.0196 42.4927 173.0767 79 V 5.0915 9.1048 127.2331 61.1371 34.3501 173.9861 80 Q 5.0430 9.3468 128.5600 54.3625 32.3036 173.3530 81 F 5.6562 9.5030 129.6060 57.3444 41.1054 174.3392 82 E 5.0660 8.9742 124.6470 54.4346 33.9077 174.6286 83 K 3.8474 8.7868 123.0797 54.7885 34.1077 176.0151 84 G 4.2614 8.2308 119.2138 44.0536 0.0000 172.5581 85 S 4.2202 8.5944 113.0742 60.3812 63.1288 174.6788 86 E 4.5070 7.9848 114.9921 55.4453 31.0569 174.8342 87 Y 5.0944 7.4819 116.0694 56.4947 42.7447 174.3313 88 F 4.8893 9.6606 121.5623 57.2749 41.3461 174.5652 89 H 5.4847 8.7811 115.5697 54.7677 32.3762 172.4684 90 L 5.0940 9.3331 122.5424 54.4056 43.1450 175.6374 91 H 4.8634 9.7780 123.2966 55.0896 29.8045 174.8379 92 T 4.5404 8.8713 122.6920 61.9969 69.8933 174.1307 93 L 5.0483 8.7414 128.2298 53.2269 43.5148 176.0775 94 V 4.9391 8.5620 124.2452 60.4737 34.3889 174.4191 95 E 3.9176 9.3251 129.3535 56.9567 29.7569 177.3203 96 T 4.0487 8.6568 115.6466 63.3352 69.4099 174.9061 97 S 4.2510 8.0102 118.2812 60.5376 63.0110 175.0018 98 G 3.9329 9.0911 112.4637 45.5237 0.0000 173.1030 99 I 4.4121 7.7359 120.1235 59.1720 39.0094 175.5279 100 S 4.5080 8.2913 120.4319 57.4948 64.2298 175.4621 101 S 4.0656 8.6771 115.8307 61.5511 61.7937 176.1762 102 M 4.0170 7.9802 119.9929 57.6645 32.3506 177.2861 103 V 3.8130 7.2006 109.6979 60.3317 32.3345 177.2157 104 L 3.6020 7.0459 121.2763 57.9812 41.8874 178.8155 105 G 3.6036 7.7998 104.9593 47.9430 0.0000 175.1205 106 R 3.8077 7.6386 120.9494 59.1992 29.9904 178.0458 107 Y 3.7641 7.4633 116.2952 61.0194 37.6955 178.5178 108 V 3.6322 7.9434 119.3863 66.2572 31.5595 178.2511 109 S 4.1583 8.1220 114.8820 61.5941 62.6173 176.7047 110 Q 4.1032 7.9324 120.5670 58.8584 28.3864 178.6606 111 I 3.7772 8.0970 121.1406 64.2772 37.1414 178.3992 112 R 3.8732 8.4493 119.7626 59.4917 29.8418 178.4419 113 A 4.1519 8.1432 120.5836 55.1245 18.2960 179.4629 114 Q 3.9497 8.2089 118.1779 59.3378 29.1035 178.2865 115 L 4.1232 8.3693 120.3192 57.9352 41.6778 179.5794 116 V 3.9492 8.2347 118.1167 66.1100 31.2128 178.3250 117 K 3.9964 7.6981 116.5900 59.6037 32.2500 179.4334 118 V 3.8854 8.0602 110.0139 62.3833 31.7954 177.5619 119 V 3.9807 7.9452 116.9728 63.0039 33.2028 175.8739 120 F 4.9250 7.7527 115.5730 56.9814 39.3748 175.3616 121 Q 3.4830 9.2621 116.7037 57.0971 26.0837 175.1398 122 G 3.9169 8.4365 103.9594 45.6852 0.0000 174.1585 123 I 4.1267 7.6791 121.5422 59.3149 37.7624 175.2556 124 E 3.9260 8.6342 127.2799 55.0587 29.7878 174.6059 125 P 3.8921 0.0000 0.0000 62.9859 31.9915 177.3039 126 Q 4.3007 8.3916 125.2078 55.7889 27.7373 176.6758 127 I 4.5772 6.9306 117.1963 58.9713 40.7424 175.7940 128 N 4.3214 8.9838 124.1188 55.1778 38.8067 173.9184 129 D 4.3866 8.9198 124.4031 54.9042 40.0272 174.7699 130 W 4.2851 8.2271 115.9042 58.3988 29.8027 176.2152 131 V 4.4943 6.7503 120.0528 60.7933 33.1289 174.6372 132 A 4.6981 8.8201 129.7205 50.1442 22.5179 174.5131 133 I 4.5639 8.2945 122.7827 60.4848 38.6059 176.0221 134 T 4.0515 8.8688 124.5067 63.7404 69.2843 174.1997 135 K 4.8590 8.4532 125.1090 54.6986 34.3205 176.9088 136 V 3.7365 8.5025 121.9041 65.6520 31.6737 175.8400 137 K 4.5397 7.5061 116.3577 55.0962 35.1617 174.7158 138 K 3.9721 8.5538 119.1078 57.9933 32.0786 177.6573 139 G 3.8627 8.8894 110.7959 45.9868 0.0000 173.8422 140 G 3.9031 7.8212 109.0776 44.1326 0.0000 173.4455 141 A 4.3888 8.1800 120.7305 51.1263 20.3217 177.0064 142 N 4.8462 8.5160 117.0318 53.1144 39.0176 175.6311 143 K 4.2352 9.0435 126.5132 56.4493 33.1876 176.1499 144 V 4.6813 8.3904 125.7806 61.2606 34.0591 174.8267 145 V 4.6240 8.7578 120.4441 59.7405 35.5840 174.9422 146 D 5.2168 8.5199 122.2721 53.2919 42.9748 177.7588 147 S 4.4000 8.5925 115.4525 62.0137 62.7814 177.3310 148 G 3.7822 8.3636 107.7791 47.7919 0.0000 174.7279 149 Y 4.0873 8.1417 121.7478 60.5961 38.5993 178.1006 150 I 3.2551 7.6267 121.1314 63.6907 36.9399 176.6824 151 P 3.8892 0.0000 0.0000 65.2379 31.2561 177.9445 152 A 3.5711 6.5924 119.8642 54.2713 18.2519 177.7112 153 Y 4.4343 7.2059 112.0370 58.6634 40.7963 177.3203 154 L 4.1955 7.5808 119.0190 57.3526 42.3043 178.9591 155 L 3.9383 7.6657 117.3993 57.2944 41.5416 177.1140 156 P 4.3384 0.0000 0.0000 64.2681 31.5190 176.9374 157 K 4.0394 7.5378 118.4287 56.4828 32.4611 176.4964 158 V 4.5050 7.9133 114.8914 58.9980 35.2187 175.0028 159 Q 4.5400 8.2869 119.9678 55.4952 28.9712 175.1819 160 P 4.4542 0.0000 0.0000 63.9162 32.4890 176.9508 161 E 4.1116 8.1906 120.2657 58.4191 29.6294 176.2552 162 L 4.4368 7.9079 120.8082 54.9561 42.5746 175.5415 163 Q 4.5695 8.5068 125.0310 57.1219 30.6175 175.3910 164 W 4.2343 7.8425 125.5077 57.0970 34.0169 172.6116 165 A 4.8596 7.1501 122.6623 50.5326 21.7039 175.7037 166 W 5.2878 9.3697 119.2106 55.6531 33.7791 174.3224 167 T 4.6662 8.8298 115.6233 61.5619 69.7060 172.5537 168 N 4.8740 7.6887 122.6241 52.4605 38.7970 173.8972 169 L 4.4169 7.8565 121.3758 54.1654 42.4168 176.9707 170 D 4.4383 9.0762 124.8894 57.6492 40.6073 178.8678 171 E 3.9117 8.0645 115.3606 58.3557 29.7462 177.3433 172 Y 4.8712 7.7553 116.0665 57.4022 38.7365 177.2493 173 K 3.9503 7.7618 120.8248 59.7046 32.2789 178.4564 174 L 4.0957 7.9432 119.6440 57.9306 42.1271 178.4695 175 A 4.0872 8.3235 120.1708 55.1994 18.0971 179.2558 176 A 3.9921 7.7744 118.6525 54.7688 18.2931 179.2968 177 L 4.3456 7.3261 115.8296 53.8180 42.9135 175.6645 178 N 5.2241 8.0794 117.2474 51.1168 41.3734 174.2073 179 L 3.9593 9.3415 129.6958 57.8320 41.8092 179.1949 180 E 3.8834 8.3462 118.9195 59.3145 29.5725 178.5590 181 E 3.9708 9.0381 119.7576 59.1749 29.6014 178.9223 182 R 3.9051 8.0521 118.2482 59.0684 30.1519 178.8068 183 K 3.8527 8.2636 119.6120 59.4791 32.1824 178.6790 184 R 3.8827 8.0169 118.7975 59.6336 30.0400 178.5741 185 L 4.0719 8.1100 118.7289 57.6579 41.4637 179.7314 186 V 3.6326 8.1711 118.4524 65.7896 31.4320 177.9496 187 A 3.9838 8.1735 120.6690 55.1516 18.2258 179.3869 188 Q 3.8975 8.1112 118.0717 59.2119 29.0593 178.2628 189 F 4.2158 8.2594 121.6653 61.3937 39.6011 177.0935 190 L 3.7044 8.3323 118.7183 57.4924 41.1385 179.3847 191 A 3.9237 7.8534 119.7705 55.2352 18.4551 179.2093 192 E 4.0002 7.8224 115.5697 59.7878 29.6388 179.5933 193 S 4.0445 7.8261 114.3657 60.6637 63.5603 175.5657 194 S 4.5677 7.5371 117.2944 57.4759 61.9747 174.2377 195 Q 4.0571 7.4960 124.5121 57.3218 29.6335 175.1726 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 4.44 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 2 A 8.03 4.71 1.08 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 0.00 0.00 3 T 8.74 5.08 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 1.22 0.00 0.00 4 F 9.38 5.25 0.00 2.88 3.01 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 5 Y 9.05 5.18 0.00 3.07 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 6 E 8.75 5.23 0.00 1.89 1.70 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 2.24 2.27 0.00 7 V 8.83 4.74 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 1.02 0.00 0.00 1.12 0.00 0.00 8 I 8.88 4.82 1.79 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 0.90 0.48 0.80 0.00 0.00 9 V 8.52 4.73 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 1.23 0.00 0.00 0.80 0.00 0.00 10 R 9.04 4.96 0.00 1.65 1.53 0.00 2.90 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 11 V 9.20 4.57 2.51 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 1.30 0.00 0.00 1.21 0.00 0.00 12 P 0.00 5.45 0.00 2.38 2.17 0.00 4.20 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.72 0.00 *13 F 8.98 4.17 0.00 2.32 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 0.00 0.00 0.00 0.00 14 D 8.35 4.55 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.19 4.36 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 1.04 0.00 0.00 0.99 0.00 0.00 16 E 8.99 4.09 0.00 1.98 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 2.32 2.27 0.00 17 E 7.98 4.05 0.00 1.83 1.73 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 2.07 2.23 0.00 18 H 8.70 4.86 0.00 3.08 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.32 4.55 0.00 1.40 1.30 0.41 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.58 0.00 2.13 2.04 0.00 3.72 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 21 G 9.25 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 22 I 7.12 3.73 1.84 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.06 0.92 0.00 0.00 23 S 8.75 4.45 0.00 4.11 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 0.00 24 D 8.74 4.54 0.00 2.73 2.77 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 0.00 0.00 0.00 0.00 25 S 8.31 4.21 0.00 4.10 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 0.00 26 F 8.42 4.29 0.00 3.32 3.29 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 27 V 8.09 3.64 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.09 0.00 0.00 28 D 8.11 4.39 0.00 2.97 2.77 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 0.00 0.00 0.00 0.00 29 W 8.34 4.32 0.00 3.29 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 30 V 7.28 2.71 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 -0.50 0.00 0.00 0.69 0.00 0.00 31 T 7.65 4.23 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 32 G 7.45 3.84 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 0.00 0.00 0.00 33 Q 7.49 4.13 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 1.97 2.15 0.00 34 I 8.13 4.51 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.97 0.94 0.00 0.00 35 W 9.52 4.63 0.00 3.19 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 36 E 8.67 4.96 0.00 2.01 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 2.26 2.32 0.00 37 L 8.41 4.66 0.00 1.72 1.62 0.95 1.00 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 38 P 0.00 4.56 0.00 2.18 2.04 0.00 3.48 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.22 0.00 39 P 0.00 4.26 0.00 2.18 2.21 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 40 E 8.02 4.23 0.00 2.09 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 0.00 2.22 2.22 0.00 41 S 8.02 4.60 0.00 3.69 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 42 D 8.30 4.88 0.00 2.75 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 43 L 7.47 4.12 0.00 1.59 1.60 0.60 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 44 N 9.24 4.72 0.00 2.65 2.83 0.00 0.00 7.26 6.67 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 45 L 8.51 4.16 0.00 1.87 1.74 1.19 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.87 4.06 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 1.24 0.00 0.00 47 L 7.82 4.40 0.00 1.81 1.75 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.57 4.31 2.33 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 0.79 0.00 0.00 1.18 0.00 0.00 49 E 9.46 4.33 0.00 2.00 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 2.65 2.97 0.00 50 Q 8.34 3.63 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 51 P 0.00 4.49 0.00 2.02 1.94 0.00 3.77 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 2.04 1.94 0.00 52 Q 7.66 3.78 0.00 1.73 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 1.35 2.21 0.00 53 L 7.75 3.30 0.00 1.41 1.02 0.25 -1.34 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 54 T 7.74 4.07 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 0.69 0.00 0.00 55 V 7.23 3.55 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 1.44 0.00 0.00 0.67 0.00 0.00 56 A 7.73 3.76 0.33 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 57 D 8.19 3.72 0.00 3.06 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 58 R 7.92 3.88 0.00 2.27 2.37 0.00 3.10 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 59 I 7.98 3.74 2.07 0.00 0.00 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 1.71 0.77 1.04 0.00 0.00 60 R 8.00 3.63 0.00 1.36 1.54 0.00 2.40 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.17 0.00 61 R 7.92 3.84 0.00 1.81 1.91 0.00 3.13 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.46 0.00 62 V 7.86 3.60 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 1.04 0.00 0.00 0.94 0.00 0.00 63 F 8.70 4.06 0.00 3.27 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 64 L 8.51 4.14 0.00 1.64 1.64 -0.14 0.37 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 65 Y 8.11 3.99 0.00 3.00 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 66 E 8.39 3.81 0.00 2.09 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 2.65 2.48 0.00 67 W 8.36 4.10 0.00 3.33 3.22 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 68 N 8.46 4.76 0.00 2.83 2.83 0.00 0.00 6.57 7.72 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 69 K 7.05 3.76 0.00 1.17 1.36 0.00 1.05 0.00 0.00 1.34 0.00 0.00 2.67 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.06 0.95 7.81 70 F 7.20 4.20 0.00 2.59 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 71 S 8.34 4.23 0.00 4.27 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 72 K 7.76 3.91 0.00 1.94 1.91 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.31 7.81 73 Q 7.51 4.51 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.39 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 74 E 8.62 4.55 0.00 2.03 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 2.45 2.45 0.00 75 S 8.46 4.38 0.00 4.23 4.12 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 76 K 8.64 4.72 0.00 1.84 1.95 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.61 7.81 77 F 9.18 5.60 0.00 3.24 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 78 F 9.56 5.05 0.00 3.01 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 79 V 9.10 5.09 2.38 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 0.81 0.00 0.00 0.88 0.00 0.00 80 Q 9.35 5.04 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 81 F 9.50 5.66 0.00 3.45 3.07 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 82 E 8.97 5.07 0.00 1.76 1.71 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 0.00 2.19 2.26 0.00 83 K 8.79 3.85 0.00 1.26 1.47 0.00 1.38 0.00 0.00 1.43 0.00 0.00 2.64 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.76 0.21 7.81 84 G 8.23 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 0.00 0.00 0.00 0.00 85 S 8.59 4.22 0.00 3.94 3.97 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 86 E 7.98 4.51 0.00 1.71 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 2.15 2.11 0.00 87 Y 7.48 5.09 0.00 3.05 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 88 F 9.66 4.89 0.00 3.34 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 89 H 8.78 5.48 0.00 3.19 3.45 0.00 5.25 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 90 L 9.33 5.09 0.00 1.71 1.68 0.82 1.16 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 91 H 9.78 4.86 0.00 3.32 3.41 0.00 5.59 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.87 4.54 3.90 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 0.64 0.00 0.00 93 L 8.74 5.05 0.00 1.93 1.41 0.99 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.56 4.94 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 0.43 0.00 0.00 0.39 0.00 0.00 95 E 9.33 3.92 0.00 2.01 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 2.28 1.85 0.00 96 T 8.66 4.05 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 0.30 0.00 0.00 97 S 8.01 4.25 0.00 3.94 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 9.09 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 99 I 7.74 4.41 2.19 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 1.32 0.34 0.70 0.00 0.00 100 S 8.29 4.51 0.00 3.98 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 0.00 101 S 8.68 4.07 0.00 4.01 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 M 7.98 4.02 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 103 V 7.20 3.81 0.68 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 0.54 0.00 0.00 0.36 0.00 0.00 104 L 7.05 3.60 0.00 1.58 1.34 0.76 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.80 3.60 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 0.00 0.00 0.00 106 R 7.64 3.81 0.00 1.70 1.75 0.00 3.09 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 107 Y 7.46 3.76 0.00 2.61 1.86 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 0.00 108 V 7.94 3.63 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 1.18 0.00 0.00 1.16 0.00 0.00 109 S 8.12 4.16 0.00 4.07 3.90 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 0.00 110 Q 7.93 4.10 0.00 2.40 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 111 I 8.10 3.78 2.02 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.96 0.87 0.00 0.00 112 R 8.45 3.87 0.00 1.73 2.09 0.00 3.11 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 113 A 8.14 4.15 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.21 3.95 0.00 2.35 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 115 L 8.37 4.12 0.00 2.32 2.23 1.12 1.28 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 0.00 116 V 8.23 3.95 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 1.19 0.00 0.00 1.39 0.00 0.00 117 K 7.70 4.00 0.00 1.91 1.87 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.73 7.81 118 V 8.06 3.89 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 0.67 0.00 0.00 0.93 0.00 0.00 119 V 7.95 3.98 1.67 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 0.33 0.00 0.00 0.83 0.00 0.00 120 F 7.75 4.92 0.00 3.35 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 0.00 121 Q 9.26 3.48 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.89 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 122 G 8.44 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.68 4.13 1.96 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 1.16 0.79 0.85 0.00 0.00 124 E 8.63 3.93 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 125 P 0.00 3.89 0.00 0.49 0.84 0.00 2.87 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.47 0.00 126 Q 8.39 4.30 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 127 I 6.93 4.58 1.78 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.43 0.71 0.00 0.00 128 N 8.98 4.32 0.00 2.74 2.79 0.00 0.00 7.33 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.92 4.39 0.00 2.88 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 W 8.23 4.29 0.00 3.50 3.35 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 0.00 131 V 6.75 4.49 1.49 0.00 0.00 0.00 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 -0.55 0.00 0.00 132 A 8.82 4.70 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 0.00 133 I 8.29 4.56 1.84 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 1.37 0.60 0.94 0.00 0.00 134 T 8.87 4.05 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 1.20 0.00 0.00 135 K 8.45 4.86 0.00 1.66 1.80 0.00 2.02 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.34 7.81 136 V 8.50 3.74 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 0.79 0.00 0.00 0.96 0.00 0.00 137 K 7.51 4.54 0.00 1.93 1.87 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.46 7.81 138 K 8.55 3.97 0.00 1.77 1.81 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.40 7.81 139 G 8.89 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 0.00 0.00 0.00 140 G 7.82 3.90 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 0.00 141 A 8.18 4.39 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 0.00 142 N 8.52 4.85 0.00 2.66 2.79 0.00 0.00 6.86 7.61 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 0.00 143 K 9.04 4.24 0.00 1.82 1.79 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.41 7.81 144 V 8.39 4.68 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 0.78 0.00 0.00 1.00 0.00 0.00 145 V 8.76 4.62 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 0.36 0.00 0.00 0.73 0.00 0.00 146 D 8.52 5.22 0.00 2.72 2.71 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 0.00 0.00 0.00 0.00 147 S 8.59 4.40 0.00 4.00 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 0.00 148 G 8.36 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 0.00 0.00 0.00 149 Y 8.14 4.09 0.00 3.22 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 0.00 150 I 7.63 3.26 1.23 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.15 -0.82 0.00 0.00 151 P 0.00 3.89 0.00 1.69 1.99 0.00 3.57 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.77 0.00 152 A 6.59 3.57 0.59 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 0.00 0.00 153 Y 7.21 4.43 0.00 2.22 2.57 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 0.00 0.00 0.00 0.00 154 L 7.58 4.20 0.00 1.52 1.74 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.67 3.94 0.00 1.43 1.63 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.34 0.00 1.97 2.05 0.00 3.57 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 157 K 7.54 4.04 0.00 1.75 1.72 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.71 7.81 158 V 7.91 4.50 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 0.85 0.00 0.00 0.90 0.00 0.00 159 Q 8.29 4.54 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.05 0.00 0.00 0.00 0.00 0.00 2.55 2.31 0.00 160 P 0.00 4.45 0.00 2.13 2.14 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 161 E 8.19 4.11 0.00 1.96 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 2.32 2.36 0.00 162 L 7.91 4.44 0.00 1.57 1.53 0.90 0.71 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 0.00 163 Q 8.51 4.57 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.54 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 164 W 7.84 4.23 0.00 3.09 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 0.00 0.00 0.00 0.00 165 A 7.15 4.86 0.97 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 0.00 0.00 166 W 9.37 5.29 0.00 3.38 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 0.00 167 T 8.83 4.67 4.21 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 1.43 0.00 0.00 168 N 7.69 4.87 0.00 2.66 2.60 0.00 0.00 6.09 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 0.00 169 L 7.86 4.42 0.00 2.02 1.82 1.26 1.31 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 0.00 170 D 9.08 4.44 0.00 2.69 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 0.00 171 E 8.06 3.91 0.00 1.63 1.83 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 1.92 1.47 0.00 172 Y 7.76 4.87 0.00 3.22 3.10 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 0.00 173 K 7.76 3.95 0.00 1.71 1.93 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.71 7.81 174 L 7.94 4.10 0.00 1.76 1.67 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.32 4.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 A 7.77 3.99 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 0.00 177 L 7.33 4.35 0.00 1.33 1.14 0.21 -0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 178 N 8.08 5.22 0.00 2.67 2.73 0.00 0.00 7.25 6.42 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 0.00 179 L 9.34 3.96 0.00 1.80 1.67 0.88 0.63 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 0.00 180 E 8.35 3.88 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 181 E 9.04 3.97 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 182 R 8.05 3.91 0.00 2.07 2.06 0.00 3.15 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 183 K 8.26 3.85 0.00 1.97 1.96 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 184 R 8.02 3.88 0.00 1.93 2.09 0.00 3.14 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 1.63 1.68 0.00 185 L 8.11 4.07 0.00 1.90 1.77 1.05 0.69 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 0.00 186 V 8.17 3.63 2.20 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 1.12 0.00 0.00 0.96 0.00 0.00 187 A 8.17 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 Q 8.11 3.90 0.00 2.27 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 189 F 8.26 4.22 0.00 3.18 3.22 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 0.00 190 L 8.33 3.70 0.00 1.82 1.63 0.91 1.10 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 0.00 191 A 7.85 3.92 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 0.00 192 E 7.82 4.00 0.00 2.00 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 2.55 0.00 193 S 7.83 4.04 0.00 3.54 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 S 7.54 4.57 0.00 4.00 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 0.00 195 Q 7.50 4.06 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.