NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.2317 8.4449 121.4623 55.6354 31.4259 175.6532 8 I 3.8343 7.3812 118.7896 57.5648 38.6069 173.4192 9 S 4.7672 9.4755 120.4449 55.9662 67.3650 174.6666 10 E 3.9297 8.8221 119.7567 59.8257 29.4498 179.4800 11 T 3.8504 7.1929 112.5592 64.7056 67.4730 173.6728 12 N 5.0252 8.2982 114.3984 51.9826 38.7045 173.3958 13 T 4.8115 7.3802 110.0822 60.8567 70.0990 174.8221 14 I 4.1262 9.0237 128.2802 64.0558 38.0028 176.4942 15 F 4.8948 7.8913 121.3049 57.0606 42.7439 172.6847 16 K 4.6951 8.0597 126.2292 54.3539 35.1706 174.6332 17 L 4.5240 8.6499 129.5970 53.2674 44.3222 175.1005 18 E 4.6304 9.3118 126.6485 55.8985 30.9150 176.4988 19 G 3.9186 8.9853 109.8028 46.7026 0.0000 174.5807 20 V 3.8144 7.7479 112.4159 61.2713 33.1977 176.4029 21 S 4.9161 8.5828 120.4585 57.2623 63.3520 173.0198 22 V 4.1620 8.5846 125.9406 62.7080 31.9267 176.2686 23 L 4.4751 9.1368 127.7584 55.9246 43.5644 177.1328 24 S 4.7563 7.6958 112.5775 55.9550 65.8046 172.6622 25 P 4.6560 0.0000 0.0000 62.7422 31.5941 175.4219 26 L 4.5238 7.3289 117.5228 54.5500 43.0766 175.3322 27 R 5.1232 8.2540 121.1119 55.2171 30.4489 175.1397 28 K 4.5202 8.1387 125.6744 55.2718 35.8347 174.1128 29 K 4.8973 8.6585 126.1674 56.0622 32.8956 176.1387 30 L 4.9823 8.9094 123.9846 53.2683 47.1384 174.7767 31 D 5.2952 8.9182 120.6561 52.9061 42.9754 175.6772 32 L 4.8429 8.9873 126.8151 54.4462 43.5591 175.4293 33 V 5.0082 9.1435 126.4828 61.2158 34.8592 173.8406 34 F 5.5670 9.7365 127.2963 56.2273 41.2625 174.5747 35 Y 5.3280 8.9335 121.2485 56.0474 42.2960 173.2315 36 L 4.9698 9.1227 119.7931 52.6843 43.4037 176.9981 37 S 4.2758 8.7503 119.3591 59.2955 62.8968 175.0576 38 N 4.5808 8.9277 121.9997 55.1935 39.1886 176.9381 39 V 3.7655 7.5765 118.2750 65.4989 31.5051 176.4767 40 D 4.6681 7.5514 113.4372 52.2922 40.5075 175.8819 41 G 3.8780 8.2772 106.6710 46.1391 0.0000 173.8497 42 S 4.3581 7.7470 115.7352 56.8718 63.5441 171.8313 43 P 4.7584 0.0000 0.0000 63.1059 31.8428 175.8347 44 V 4.3060 8.5173 123.0199 61.0332 35.4348 173.8306 45 I 4.7129 8.0482 127.3199 59.8037 39.3916 174.6399 46 T 5.1041 9.2076 120.8357 60.2835 71.7198 172.1419 47 L 5.2302 8.7796 125.8399 53.0283 44.2535 175.4754 48 L 5.2070 9.2827 126.7337 53.3965 45.2359 176.5067 49 K 4.5770 8.8617 126.5018 52.8889 33.8734 175.8542 50 G 3.7106 8.9270 120.1725 46.9365 0.0000 176.1905 51 N 4.5498 8.8111 121.5640 53.3868 38.0933 174.4595 52 D 4.6131 7.9610 117.1133 54.7260 41.5905 175.3489 53 R 4.8954 8.3261 121.3141 54.8860 31.7050 176.0771 54 E 4.4194 9.0439 122.5092 57.6929 30.9467 176.4448 55 L 4.3940 7.3027 117.4705 54.3564 45.3424 173.4724 56 S 5.0540 8.7012 120.7270 56.8436 67.3871 173.3130 57 I 4.3121 8.8654 123.7858 59.5872 40.0247 174.5052 *58 Y 4.3947 8.2660 124.4588 54.1889 40.7744 175.5388 59 Q 3.1464 8.1216 115.1107 56.8267 26.1958 175.5150 60 L 3.7245 7.4452 120.4708 57.6233 42.6295 179.7913 61 N 4.8491 8.5914 114.7723 54.5549 36.8170 175.5974 62 K 4.4178 7.9178 115.0164 56.6966 34.4156 176.5464 63 N 4.5840 8.3641 116.6153 53.9065 39.2094 174.6140 64 I 4.2546 7.2343 119.9156 60.5453 37.5142 175.6057 65 K 4.4145 8.6041 125.4481 58.0874 33.4682 177.0536 66 M 4.6573 7.7832 116.8338 54.5631 35.9606 173.6281 67 A 5.0697 8.4574 127.1843 51.1567 22.9416 175.0116 68 S 5.1147 9.3497 118.8681 57.0871 67.9010 173.6448 69 F 5.0920 9.0414 123.9675 57.4631 39.5071 175.1051 70 L 5.0926 8.9718 123.0320 51.8776 45.5661 174.4766 71 P 4.5029 0.0000 0.0000 63.0969 32.4219 175.7625 72 V 4.0833 7.9831 121.8041 60.7103 32.7696 173.4937 73 P 4.4399 0.0000 0.0000 64.2651 31.5146 176.9011 74 E 3.9349 9.0650 120.8307 56.5581 27.8189 175.0087 75 K 4.4499 7.6288 119.0654 53.6069 31.9488 174.8166 76 P 4.3543 0.0000 0.0000 64.4313 32.0414 177.6390 77 N 4.4282 8.0624 115.7554 54.6313 38.2432 174.6794 78 L 5.1863 7.5056 118.1072 52.7789 45.5606 175.7698 79 I 4.5617 8.0775 119.5869 59.6338 41.9580 173.6694 80 Y 5.0534 8.8855 126.4592 57.5117 39.7170 174.0383 81 L 4.9656 9.0678 125.7020 53.3046 44.4987 174.6507 82 F 5.3189 8.9923 128.5928 56.6801 42.3175 173.7264 83 M 5.2382 8.2647 124.4814 53.7001 36.5549 174.1912 84 T 5.5057 8.8248 111.9731 59.5224 72.4064 172.3488 85 Y 5.2176 7.6154 119.2491 56.1097 41.4444 173.7393 86 T 4.5076 8.6121 118.8186 63.0851 69.4999 175.0477 87 S 4.4255 8.6127 120.8316 58.2521 63.9392 174.9944 88 C 3.9651 8.8667 118.3847 62.4132 27.9072 174.8664 89 E 4.4661 8.0454 114.8698 55.1739 29.4643 175.2162 90 D 4.2861 7.8714 117.1339 55.9613 38.8981 173.8846 91 N 5.0250 7.4946 110.1078 51.9446 39.2607 173.9604 92 K 4.3131 6.4232 119.6088 54.9947 35.3334 174.6401 93 F 4.9620 7.8613 123.2388 56.9350 42.6102 174.4659 94 S 3.7033 8.7540 118.8641 59.5699 60.2664 171.8856 95 E 4.0499 7.7234 120.4909 55.4593 30.1823 174.5820 96 P 4.7725 0.0000 0.0000 61.8600 32.9751 175.3594 97 V 4.6288 8.6167 124.0358 60.9612 34.4889 174.2475 98 V 4.9472 8.6232 127.1190 61.2441 34.5470 174.0221 99 M 5.4399 8.9391 124.3361 53.7944 35.2685 174.1116 100 T 5.0508 8.7943 110.5147 60.2985 71.8609 173.1268 101 L 5.0292 8.8480 124.0034 52.8764 44.6102 175.3945 102 N 4.7110 8.6472 122.5235 53.0109 39.6412 175.6769 103 K 3.4944 8.6402 128.7486 59.8356 31.9606 179.7885 104 E 3.9516 7.9724 118.1294 61.2796 29.6109 180.4946 105 N 4.5324 8.5276 118.3114 56.6250 38.9585 177.0579 106 T 3.9526 8.1524 117.2824 66.5904 68.6372 175.8495 107 L 3.8470 8.2317 122.5745 58.6268 41.9443 178.6719 108 N 4.3633 8.2437 116.4838 56.8136 38.8831 176.8796 109 Q 4.0574 8.7226 119.9624 59.0177 28.8529 178.6105 110 F 3.9971 8.7639 119.0017 60.4890 38.6758 177.9191 111 K 4.4611 8.2634 119.5469 58.9350 31.5859 179.2196 112 N 4.4113 7.7753 115.9568 55.8931 38.5783 176.5875 113 L 4.3353 7.7952 117.5751 54.2421 41.7895 177.5280 114 G 3.8933 7.3752 106.6424 46.2798 0.0000 174.9651 115 L 4.1084 7.7739 118.6771 55.5778 41.9833 177.2543 116 L 4.4324 7.4214 120.4415 53.9712 46.0501 175.0707 117 D 4.5298 8.7770 124.7661 53.5738 40.5156 175.3172 118 S 4.2554 8.7425 118.5636 60.7245 62.1672 175.1901 119 N 4.9535 7.8370 115.3735 52.4143 37.5589 174.7219 120 V 3.7349 7.6686 121.7557 64.5696 31.8983 176.5241 121 T 4.1539 8.4897 119.1440 61.7914 69.4679 170.6627 122 D 4.7288 7.7771 120.3286 52.7030 41.2370 176.4868 123 F 4.0698 8.7375 130.2440 60.8383 39.8271 176.6555 124 E 3.7438 8.2883 120.4209 58.5735 29.2639 178.6587 125 K 3.8275 7.7905 118.9061 59.7593 31.9689 178.8707 126 C 3.4652 7.3719 116.8094 62.3689 27.7361 176.3191 127 V 3.0553 6.7051 119.3498 65.5984 31.0674 177.5085 128 E 3.8394 8.0878 119.1705 59.3400 29.4731 178.2254 129 Y 3.9208 7.8820 119.3220 60.7526 38.8844 178.0339 130 I 3.2667 8.0305 120.9385 64.2903 37.1797 178.5332 131 R 3.9139 8.3413 121.5313 59.8494 29.8591 179.8681 132 K 3.8399 8.0017 123.3117 59.9406 31.1478 181.0189 133 Q 3.9206 8.0428 119.6387 58.3639 28.3601 178.9460 134 A 3.4585 7.9241 121.9613 54.9139 18.1815 179.4094 135 I 3.6907 7.4188 119.7626 64.0423 37.0315 178.7428 136 L 3.9959 7.8333 117.8352 57.1562 41.4869 178.4091 137 T 4.4474 7.1759 109.7815 61.6044 68.0112 174.9504 138 G 4.1172 8.5007 109.0144 45.8377 0.0000 172.7802 139 F 5.4145 8.7713 116.8511 55.4622 41.2396 173.9899 140 K 4.4780 8.6102 120.6684 52.6449 34.7141 172.2538 141 I 4.6291 7.9850 123.9060 58.7832 38.5566 176.1433 142 S 4.4537 9.1168 122.3899 58.7318 64.0694 173.5349 143 N 5.3835 8.3645 118.3747 51.9542 38.6326 173.8212 144 P 4.3679 0.0000 0.0000 65.2550 31.9769 177.7209 145 F 4.4795 8.3518 116.1673 58.6191 40.1137 176.2496 146 V 4.4122 7.8116 112.8523 59.8379 31.5579 174.1042 *159 N 4.7447 7.5368 119.9165 53.7036 41.3054 174.3948 160 S 4.7559 7.5636 114.6099 58.7687 64.1428 172.4954 161 F 5.4836 8.1886 115.5109 56.7920 41.3911 172.3934 162 H 5.6300 8.8881 114.0044 54.5296 31.5853 172.3503 163 L 4.7178 8.6825 118.6522 54.7023 44.0974 174.5416 164 Q 4.9211 8.6249 119.7603 55.9721 30.0257 174.7350 165 C 4.8079 8.8530 116.5921 58.0308 33.9018 171.9012 166 H 5.3931 9.3912 115.7596 54.2128 31.3554 174.4996 167 R 4.5861 9.1813 122.7512 53.9454 31.5755 176.4697 168 G 3.9388 8.7462 119.1330 47.2637 0.0000 175.3694 169 T 4.2224 8.7554 114.8380 62.2686 69.4355 174.4594 170 K 4.4945 7.7073 123.3275 54.7084 33.3769 175.6983 171 E 4.4291 8.6424 124.7257 56.2557 30.6265 175.3276 172 G 3.8405 8.9140 110.5388 45.7262 0.0000 170.9793 173 T 4.9965 8.3597 114.1234 59.9378 70.5587 172.4755 174 L 4.8438 8.8858 131.0443 53.7978 44.2500 174.3309 175 Y 4.9399 8.9037 124.8579 56.5845 40.2074 174.9956 176 F 3.9093 9.6264 125.3498 55.8669 39.1948 175.3508 177 L 4.7714 8.4329 124.2056 52.3426 43.7524 175.9800 178 P 4.2993 0.0000 0.0000 65.7701 31.4481 177.0982 179 D 5.0200 8.1520 113.5651 54.1022 43.3438 175.2563 180 H 5.5088 8.2391 115.2340 54.2969 34.0323 172.1384 181 I 4.7839 9.0065 121.9493 59.6176 39.8695 174.6501 182 I 4.6500 8.0991 126.8232 59.3147 40.2598 174.3026 183 F 5.0590 8.8885 129.7331 56.6428 40.9175 174.5425 184 G 3.1038 7.9623 112.7690 43.7279 0.0000 172.1029 185 F 4.8412 8.1969 114.2779 56.5913 41.0071 175.6794 186 K 4.1854 7.9629 122.6311 56.4049 32.4923 177.6541 187 K 4.1769 8.5006 124.1892 53.9896 32.2107 175.0782 188 P 4.7516 0.0000 0.0000 60.8660 32.6156 175.7103 189 I 4.0686 8.2744 122.6467 61.3407 38.0233 175.0598 190 L 4.4180 8.6899 126.8809 52.7902 43.7422 175.0697 191 L 4.7613 8.0620 125.5151 53.0650 44.4958 175.1546 192 F 5.0591 8.9387 125.1383 55.4958 42.0726 174.8777 193 D 4.8080 8.9094 123.5641 53.9344 41.7351 177.3910 194 A 4.1289 8.7633 127.0616 55.1206 18.5325 179.3676 195 S 4.4083 7.9655 108.2572 59.9112 63.7080 174.5145 196 D 4.6058 8.1623 120.9311 54.8715 41.1023 176.0206 197 I 4.1424 7.1791 120.8630 61.1656 37.5806 175.2838 198 E 4.3929 9.4018 128.1658 58.6178 30.8292 176.0539 199 S 4.7951 7.6470 111.3780 57.4054 66.5717 173.1935 200 I 5.0894 8.1903 120.8273 59.6701 40.4110 174.8899 201 T 4.4257 8.8537 117.1591 60.0521 71.2694 173.0354 202 Y 5.3516 8.1833 121.5390 57.3259 40.8124 174.2699 203 S 4.6522 8.8529 113.7477 57.7174 66.3925 173.4696 204 S 5.0118 8.7358 118.8223 57.0704 64.6546 173.3754 205 I 4.4319 8.5224 122.9457 63.0010 41.1190 175.9537 206 T 4.6332 7.8015 112.8074 59.6886 71.0544 176.2565 207 R 4.3833 8.4212 114.8619 59.1190 30.0499 172.9461 208 L 4.9857 7.8882 113.8670 55.0848 43.7869 175.7608 209 T 5.4017 7.8272 109.1211 59.9462 72.9944 172.4286 210 F 5.3569 9.1617 116.2284 55.4470 42.0909 173.1446 211 N 5.4012 10.0665 118.3199 51.7770 41.3224 173.9873 212 A 5.0547 9.3811 124.4360 50.5883 21.8709 175.5971 213 S 4.9375 9.2626 120.3752 57.7025 64.5019 173.2310 214 L 5.1424 8.7721 128.5755 53.1619 44.0209 175.4118 215 V 5.0762 8.4848 125.8404 60.1508 34.4054 175.1665 216 T 4.9673 8.7385 114.2979 60.0004 70.8286 175.8565 217 K 4.3500 9.1693 122.1394 58.4541 32.1479 177.7573 218 D 4.6206 8.2060 115.8778 53.0849 39.7076 176.9163 219 G 3.8943 8.8163 108.3159 45.3988 0.0000 172.8131 220 E 4.3602 7.9297 119.7238 54.5810 31.3666 174.7437 221 K 4.8271 8.1358 127.0524 54.7142 34.6311 174.4268 222 Y 4.4474 8.9692 125.0327 55.9560 41.1256 173.9785 223 E 4.6428 8.4005 124.8427 54.3984 31.7262 174.7844 224 F 5.0289 8.7826 126.5014 56.0416 40.8917 174.9036 225 S 4.9434 8.9865 119.5064 57.3177 65.7523 173.8699 226 M 3.3297 8.5165 117.9487 56.8752 30.9795 176.9563 227 T 3.9295 7.3961 114.0763 62.4268 69.2853 174.1690 228 D 4.8342 8.7305 126.0591 54.9844 41.2493 177.2338 229 Q 4.7641 8.6963 120.4046 57.5216 28.6789 177.4020 230 T 4.0207 7.9243 116.0524 66.3504 68.8782 175.4553 231 E 4.2593 8.4489 119.6977 56.7594 29.7346 177.4272 232 Y 3.5589 8.0114 120.2089 60.4695 38.9172 177.2184 233 A 3.7058 7.9609 120.9914 55.3281 18.2764 179.3757 234 K 3.5246 7.6617 115.6874 59.6338 32.0276 179.5435 235 I 3.6334 7.4104 119.6972 64.3395 37.0713 177.9960 236 D 4.4378 7.6780 120.4761 56.8022 40.9686 177.8349 237 D 4.2724 7.8468 118.2808 57.5018 41.1966 176.9392 238 Y 4.1044 8.3616 120.1890 61.1255 38.6855 178.2981 239 V 3.7821 8.5704 120.9328 66.9269 31.5259 178.9147 240 K 4.0017 7.9454 121.6092 59.8826 31.5236 180.7954 241 R 4.2376 7.8134 118.0751 59.1480 30.1784 179.0155 242 K 4.0601 7.8726 115.6112 57.8778 32.1076 177.7567 243 Q 4.3522 7.8463 123.4621 55.8916 29.0626 175.0343 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 7 E 8.44 4.23 0.00 1.92 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 2.25 2.40 0.00 8 I 7.38 3.83 1.61 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 0.27 0.64 0.00 0.00 9 S 9.48 4.77 0.00 3.94 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 10 E 8.82 3.93 0.00 2.01 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 2.38 2.23 0.00 11 T 7.19 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 1.23 0.00 0.00 12 N 8.30 5.03 0.00 2.97 3.00 0.00 0.00 6.71 6.50 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 13 T 7.38 4.81 4.32 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 1.22 0.00 0.00 14 I 9.02 4.13 2.24 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.67 0.98 0.00 0.00 15 F 7.89 4.89 0.00 3.00 2.68 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 16 K 8.06 4.70 0.00 1.63 1.44 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.29 7.81 17 L 8.65 4.52 0.00 1.45 1.49 1.20 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 18 E 9.31 4.63 0.00 1.97 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 2.26 2.20 0.00 19 G 8.99 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 20 V 7.75 3.81 2.15 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 0.80 0.00 0.00 1.09 0.00 0.00 21 S 8.58 4.92 0.00 3.83 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 22 V 8.58 4.16 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 1.08 0.00 0.00 0.95 0.00 0.00 23 L 9.14 4.48 0.00 1.60 1.72 1.03 0.91 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 24 S 7.70 4.76 0.00 3.87 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.66 0.00 2.22 2.13 0.00 3.82 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 1.98 1.98 0.00 26 L 7.33 4.52 0.00 1.73 1.63 0.97 0.61 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 27 R 8.25 5.12 0.00 2.12 1.92 0.00 3.21 0.00 0.00 3.81 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.02 0.00 28 K 8.14 4.52 0.00 1.84 1.57 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.45 7.81 29 K 8.66 4.90 0.00 1.69 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.58 1.47 7.81 30 L 8.91 4.98 0.00 1.55 1.61 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.92 5.30 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.99 4.84 0.00 1.77 1.60 1.33 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 V 9.14 5.01 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 1.15 0.00 0.00 0.93 0.00 0.00 34 F 9.74 5.57 0.00 3.14 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.93 5.33 0.00 3.41 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 36 L 9.12 4.97 0.00 1.55 1.70 0.95 1.03 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 37 S 8.75 4.28 0.00 3.80 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 38 N 8.93 4.58 0.00 2.79 2.88 0.00 0.00 6.91 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 39 V 7.58 3.77 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 0.78 0.00 0.00 0.95 0.00 0.00 40 D 7.55 4.67 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 41 G 8.28 3.88 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 0.00 0.00 0.00 42 S 7.75 4.36 0.00 3.92 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.76 0.00 1.99 1.96 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 44 V 8.52 4.31 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 0.00 0.00 0.92 0.00 0.00 0.65 0.00 0.00 45 I 8.05 4.71 1.43 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 -0.01 0.70 0.00 0.00 46 T 9.21 5.10 4.39 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 1.36 0.00 0.00 47 L 8.78 5.23 0.00 1.59 1.54 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 48 L 9.28 5.21 0.00 1.50 1.70 0.92 0.73 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 49 K 8.86 4.58 0.00 1.41 1.69 0.00 1.94 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.23 7.81 50 G 8.93 3.71 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 0.00 0.00 0.00 51 N 8.81 4.55 0.00 2.76 2.74 0.00 0.00 6.56 8.06 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 52 D 7.96 4.61 0.00 2.89 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.33 4.90 0.00 1.77 1.84 0.00 3.22 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 54 E 9.04 4.42 0.00 1.90 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 2.28 2.38 0.00 55 L 7.30 4.39 0.00 1.65 1.39 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.70 5.05 0.00 3.68 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 57 I 8.87 4.31 1.36 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.38 0.47 0.00 0.00 *58 Y 8.27 4.39 0.00 2.42 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 0.00 0.00 0.00 0.00 59 Q 8.12 3.15 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 60 L 7.45 3.72 0.00 1.64 1.26 0.75 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.59 4.85 0.00 3.09 3.00 0.00 0.00 6.28 7.13 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 62 K 7.92 4.42 0.00 1.87 1.96 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.30 1.57 7.81 63 N 8.36 4.58 0.00 2.99 3.01 0.00 0.00 6.83 7.31 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 64 I 7.23 4.25 1.75 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.14 0.84 0.00 0.00 65 K 8.60 4.41 0.00 1.61 1.88 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.44 7.81 66 M 7.78 4.66 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.71 0.00 67 A 8.46 5.07 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 68 S 9.35 5.11 0.00 3.84 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 69 F 9.04 5.09 0.00 3.18 3.05 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 0.00 0.00 0.00 70 L 8.97 5.09 0.00 1.58 1.24 0.32 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.50 0.00 1.90 1.92 0.00 3.31 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.07 0.00 72 V 7.98 4.08 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 0.76 0.00 0.00 -0.07 0.00 0.00 73 P 0.00 4.44 0.00 2.10 2.03 0.00 3.94 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 2.05 2.05 0.00 74 E 9.06 3.93 0.00 2.12 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 2.19 2.37 0.00 75 K 7.63 4.45 0.00 1.63 1.61 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.44 7.81 76 P 0.00 4.35 0.00 1.98 2.07 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 77 N 8.06 4.43 0.00 2.69 2.99 0.00 0.00 6.05 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 78 L 7.51 5.19 0.00 1.29 1.36 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.08 4.56 1.78 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.28 1.10 0.00 0.00 80 Y 8.89 5.05 0.00 3.06 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 81 L 9.07 4.97 0.00 1.81 1.54 1.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.99 5.32 0.00 2.78 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 83 M 8.26 5.24 0.00 1.79 1.68 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 84 T 8.82 5.51 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 85 Y 7.62 5.22 0.00 3.04 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 86 T 8.61 4.51 4.41 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 1.09 0.00 0.00 87 S 8.61 4.43 0.00 3.80 3.99 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 0.00 0.00 0.00 88 C 8.87 3.97 0.00 2.94 3.02 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 89 E 8.05 4.47 0.00 2.02 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 2.34 2.20 0.00 90 D 7.87 4.29 0.00 2.80 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 91 N 7.49 5.03 0.00 2.75 2.81 0.00 0.00 6.49 7.01 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 92 K 6.42 4.31 0.00 1.48 1.44 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.34 7.81 93 F 7.86 4.96 0.00 2.99 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 94 S 8.75 3.70 0.00 4.02 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 95 E 7.72 4.05 0.00 1.16 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 2.03 1.89 0.00 96 P 0.00 4.77 0.00 2.07 2.06 0.00 3.35 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 1.96 2.06 0.00 97 V 8.62 4.63 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 0.89 0.00 0.00 0.99 0.00 0.00 98 V 8.62 4.95 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 -0.23 0.00 0.00 0.88 0.00 0.00 99 M 8.94 5.44 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.69 0.00 100 T 8.79 5.05 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 1.16 0.00 0.00 101 L 8.85 5.03 0.00 1.63 1.72 1.30 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.65 4.71 0.00 2.67 2.66 0.00 0.00 7.23 6.98 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 0.00 103 K 8.64 3.49 0.00 1.31 0.74 0.00 1.47 0.00 0.00 0.90 0.00 0.00 2.28 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.59 1.07 7.81 104 E 7.97 3.95 0.00 1.97 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 2.32 1.95 0.00 105 N 8.53 4.53 0.00 2.76 2.84 0.00 0.00 7.28 6.77 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 0.00 106 T 8.15 3.95 4.62 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 1.26 0.00 0.00 107 L 8.23 3.85 0.00 2.02 1.81 0.88 0.69 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 0.00 108 N 8.24 4.36 0.00 2.92 2.99 0.00 0.00 7.34 6.74 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 0.00 109 Q 8.72 4.06 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 110 F 8.76 4.00 0.00 3.25 3.05 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 0.00 0.00 0.00 111 K 8.26 4.46 0.00 2.01 1.87 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.53 7.81 112 N 7.78 4.41 0.00 2.83 2.86 0.00 0.00 7.07 9.19 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 0.00 113 L 7.80 4.34 0.00 1.45 1.56 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.38 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 0.00 0.00 0.00 115 L 7.77 4.11 0.00 1.62 1.07 0.92 0.71 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 0.00 116 L 7.42 4.43 0.00 1.78 1.54 1.03 1.11 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 0.00 117 D 8.78 4.53 0.00 2.60 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.74 4.26 0.00 3.62 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 0.00 119 N 7.84 4.95 0.00 2.81 2.91 0.00 0.00 5.97 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 0.00 120 V 7.67 3.73 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 0.73 0.00 0.00 1.00 0.00 0.00 121 T 8.49 4.15 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 0.00 122 D 7.78 4.73 0.00 2.73 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 0.00 123 F 8.74 4.07 0.00 2.96 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 0.00 124 E 8.29 3.74 0.00 2.26 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 2.28 2.31 0.00 125 K 7.79 3.83 0.00 2.03 1.77 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.36 7.81 126 C 7.37 3.47 0.00 1.72 1.77 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 0.00 127 V 6.71 3.06 1.81 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 0.89 0.00 0.00 0.09 0.00 0.00 128 E 8.09 3.84 0.00 2.07 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 2.30 2.29 0.00 129 Y 7.88 3.92 0.00 3.33 3.27 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 0.00 130 I 8.03 3.27 2.02 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.68 1.02 0.00 0.00 131 R 8.34 3.91 0.00 1.85 1.97 0.00 3.30 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.12 0.00 132 K 8.00 3.84 0.00 1.76 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 133 Q 8.04 3.92 0.00 1.59 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.36 1.64 0.00 134 A 7.92 3.46 0.41 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 0.00 0.00 135 I 7.42 3.69 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.36 0.85 0.00 0.00 136 L 7.83 4.00 0.00 1.57 1.71 0.81 0.67 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 0.00 137 T 7.18 4.45 4.72 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 1.55 0.00 0.00 138 G 8.50 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 0.00 0.00 0.00 139 F 8.77 5.41 0.00 3.14 3.16 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 0.00 0.00 0.00 0.00 140 K 8.61 4.48 0.00 1.74 1.57 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 0.98 7.81 141 I 7.98 4.63 1.86 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 1.50 0.82 0.67 0.00 0.00 142 S 9.12 4.45 0.00 3.92 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 0.00 143 N 8.36 5.38 0.00 2.92 2.76 0.00 0.00 6.68 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 0.00 144 P 0.00 4.37 0.00 2.10 2.21 0.00 4.26 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 2.32 2.14 0.00 145 F 8.35 4.48 0.00 3.17 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 0.00 146 V 7.81 4.41 2.15 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 0.81 0.00 0.00 1.11 0.00 0.00 *159 N 7.54 4.74 0.00 2.71 2.83 0.00 0.00 7.34 7.63 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 0.00 160 S 7.56 4.76 0.00 2.99 3.16 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 0.00 0.00 0.00 0.00 161 F 8.19 5.48 0.00 3.19 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 0.00 162 H 8.89 5.63 0.00 2.54 3.12 0.00 5.73 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.68 4.72 0.00 1.80 1.84 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 164 Q 8.62 4.92 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 165 C 8.85 4.81 0.00 3.27 3.05 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 0.00 0.00 0.00 166 H 9.39 5.39 0.00 3.16 3.52 0.00 5.76 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 9.18 4.59 0.00 1.51 1.94 0.00 3.11 0.00 0.00 2.83 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 168 G 8.75 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 T 8.76 4.22 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 1.24 0.00 0.00 170 K 7.71 4.49 0.00 1.90 1.84 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 171 E 8.64 4.43 0.00 1.72 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 172 G 8.91 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 0.00 173 T 8.36 5.00 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 1.22 0.00 0.00 174 L 8.89 4.84 0.00 1.74 1.56 -0.01 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 175 Y 8.90 4.94 0.00 2.79 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 0.00 176 F 9.63 3.91 0.00 1.51 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 0.00 0.00 0.00 0.00 177 L 8.43 4.77 0.00 1.85 1.65 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.30 0.00 2.09 2.17 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 179 D 8.15 5.02 0.00 2.65 2.54 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 0.00 180 H 8.24 5.51 0.00 2.97 3.21 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 I 9.01 4.78 1.93 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.64 0.25 0.00 0.00 182 I 8.10 4.65 1.63 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.48 0.27 0.00 0.00 183 F 8.89 5.06 0.00 2.88 2.89 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 0.00 184 G 7.96 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 0.00 0.00 0.00 185 F 8.20 4.84 0.00 2.85 2.82 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 0.00 0.00 0.00 186 K 7.96 4.19 0.00 1.74 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.43 7.81 187 K 8.50 4.18 0.00 1.77 1.61 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.00 7.81 188 P 0.00 4.75 0.00 2.22 2.12 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 189 I 8.27 4.07 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.62 1.04 0.00 0.00 190 L 8.69 4.42 0.00 1.27 0.66 1.07 0.24 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 0.00 191 L 8.06 4.76 0.00 1.57 1.45 0.91 0.77 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 0.00 192 F 8.94 5.06 0.00 2.99 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 0.00 193 D 8.91 4.81 0.00 2.94 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 0.00 194 A 8.76 4.13 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 0.00 195 S 7.97 4.41 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 D 8.16 4.61 0.00 3.01 2.82 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 0.00 0.00 0.00 197 I 7.18 4.14 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.47 0.93 0.00 0.00 198 E 9.40 4.39 0.00 2.05 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 2.28 2.26 0.00 199 S 7.65 4.80 0.00 3.87 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 0.00 200 I 8.19 5.09 1.76 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 1.40 0.68 0.65 0.00 0.00 201 T 8.85 4.43 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 1.16 0.00 0.00 202 Y 8.18 5.35 0.00 3.11 3.02 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 0.00 203 S 8.85 4.65 0.00 3.96 3.72 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 0.00 204 S 8.74 5.01 0.00 3.93 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 I 8.52 4.43 1.89 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 1.31 1.06 0.92 0.00 0.00 206 T 7.80 4.63 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 0.00 207 R 8.42 4.38 0.00 1.82 1.86 0.00 3.18 0.00 0.00 3.22 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.21 0.00 208 L 7.89 4.99 0.00 1.58 1.69 0.93 0.62 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 0.00 209 T 7.83 5.40 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 1.23 0.00 0.00 210 F 9.16 5.36 0.00 3.29 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 0.00 211 N 10.07 5.40 0.00 2.71 2.93 0.00 0.00 6.90 8.02 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 0.00 212 A 9.38 5.05 1.57 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 0.00 0.00 213 S 9.26 4.94 0.00 3.82 3.77 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 0.00 214 L 8.77 5.14 0.00 1.81 1.73 0.83 0.36 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 0.00 215 V 8.48 5.08 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 0.86 0.00 0.00 0.92 0.00 0.00 216 T 8.74 4.97 4.39 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 1.26 0.00 0.00 217 K 9.17 4.35 0.00 1.78 1.96 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.46 7.81 218 D 8.21 4.62 0.00 2.79 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 0.00 219 G 8.82 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 0.00 0.00 0.00 220 E 7.93 4.36 0.00 2.42 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 1.95 2.13 0.00 221 K 8.14 4.83 0.00 1.89 1.46 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.30 0.99 7.81 222 Y 8.97 4.45 0.00 2.70 2.32 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 0.00 223 E 8.40 4.64 0.00 1.80 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 2.13 2.23 0.00 224 F 8.78 5.03 0.00 3.12 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 0.00 225 S 8.99 4.94 0.00 3.88 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 0.00 226 M 8.52 3.33 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 227 T 7.40 3.93 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 1.08 0.00 0.00 228 D 8.73 4.83 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 Q 8.70 4.76 0.00 2.22 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.01 0.00 0.00 0.00 0.00 0.00 2.65 2.38 0.00 230 T 7.92 4.02 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 1.20 0.00 0.00 231 E 8.45 4.26 0.00 2.18 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 2.46 2.49 0.00 232 Y 8.01 3.56 0.00 1.93 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 A 7.96 3.71 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 K 7.66 3.52 0.00 1.10 0.74 0.00 1.18 0.00 0.00 0.94 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.02 1.16 7.81 235 I 7.41 3.63 1.88 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.77 1.22 0.00 0.00 236 D 7.68 4.44 0.00 1.64 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 0.00 0.00 0.00 0.00 237 D 7.85 4.27 0.00 2.79 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 0.00 238 Y 8.36 4.10 0.00 3.45 3.33 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 0.00 239 V 8.57 3.78 2.36 0.00 0.00 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 1.24 0.00 0.00 240 K 7.95 4.00 0.00 1.91 1.72 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.36 7.81 241 R 7.81 4.24 0.00 1.96 1.91 0.00 3.10 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 242 K 7.87 4.06 0.00 1.59 1.76 0.00 0.89 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.24 1.30 7.81 243 Q 7.85 4.35 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.