NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3390 8.2729 122.0524 56.2390 34.1328 174.5988 3 K 4.9160 8.5944 129.0578 53.3896 33.3000 174.3959 4 L 5.0899 8.5236 124.8016 52.1275 45.6435 175.0805 5 T 5.0362 9.5274 112.7894 60.0343 71.3256 173.1598 6 I 4.8592 8.8605 126.3018 59.3949 40.8490 174.6233 7 G 4.4566 8.8746 113.7357 44.8359 0.0000 172.0868 8 L 5.3177 8.9252 126.2490 53.1033 44.5237 175.0195 9 I 4.7935 8.5665 126.1613 59.6922 41.9441 173.8562 10 G 4.2411 8.2626 114.0479 45.6428 0.0000 172.3537 11 N 5.1111 8.5420 116.7865 51.5612 38.7799 173.4317 12 P 4.1921 0.0000 0.0000 63.1713 31.8110 175.4735 13 N 4.8447 8.5832 111.6081 54.6734 35.9599 175.1298 14 S 4.6015 7.5295 110.2885 58.2499 63.7749 175.2011 15 G 3.9181 8.3655 107.3970 46.4541 0.0000 176.0605 16 K 3.9323 8.0201 121.8745 59.6529 32.1550 178.9013 17 T 3.9050 7.8776 115.4673 67.0023 68.3530 176.3014 18 T 3.8811 8.0185 117.0976 66.7379 68.4088 176.0811 19 L 4.1089 7.9805 123.2554 57.4645 42.1496 178.3381 20 F 3.9016 8.4304 120.9015 61.7642 39.2174 177.0634 21 N 4.3299 8.6000 115.8667 56.2788 38.3980 177.3866 22 Q 3.9307 8.2271 119.6292 59.0430 28.6055 179.1873 23 L 3.7043 7.8624 119.0887 57.4430 41.9557 178.9332 24 T 4.4598 7.2748 109.6040 59.4014 69.5222 176.4100 25 G 3.6738 8.2836 110.4161 47.0710 0.0000 175.0862 26 S 4.4748 8.7335 118.5248 58.4488 63.9487 175.0355 27 R 4.3727 7.9032 123.7673 54.6862 28.3171 174.8691 28 Q 5.1696 7.5274 115.7438 54.6736 32.4705 175.5413 29 R 4.7072 9.2305 120.4599 54.4760 33.5701 174.7368 30 V 4.3247 8.4206 122.8475 61.5507 32.8552 174.8424 31 G 4.2226 8.8658 117.7021 45.4238 0.0000 170.4254 32 N 5.3861 8.3276 119.5787 51.7594 42.4103 175.5692 33 W 4.2948 9.3731 126.7433 56.2966 30.3812 175.5350 34 A 4.0511 9.0467 127.2514 54.2972 17.9258 177.8405 35 G 3.9961 9.1887 111.3740 45.4434 0.0000 172.6401 36 V 4.5234 7.7004 111.7424 59.9122 34.8165 175.3284 37 T 4.5447 8.2429 108.1188 61.5678 69.1323 174.7767 38 V 3.8361 7.6044 123.8119 62.9117 32.6396 174.7907 39 E 4.4558 8.9998 129.3303 56.4988 30.5476 175.6751 40 R 4.2777 8.3414 126.8738 54.4244 32.5391 174.1889 41 K 4.8619 8.2968 126.3499 55.2581 34.0171 175.7285 42 E 5.4274 8.9067 123.5433 54.9708 33.8386 174.9802 43 G 4.4690 8.8500 108.0011 45.5763 0.0000 171.5757 44 Q 5.3050 8.9967 118.3220 53.9599 32.7205 174.9958 45 F 5.2456 8.7760 117.6563 55.3576 42.0292 173.2917 46 S 5.0702 8.8525 113.1540 57.1133 65.8012 173.4275 47 T 4.9686 8.3165 116.1648 60.8476 69.8324 173.4595 48 T 4.0652 8.5312 116.4363 66.5731 68.4139 175.3288 49 D 4.7633 7.9720 116.9983 54.5069 42.1811 175.8515 50 H 5.2685 7.7495 115.4436 53.9493 33.8404 171.7722 51 Q 4.6946 9.1517 122.7922 54.4615 31.0869 174.2222 52 V 4.6132 8.5092 127.0781 61.3271 34.0390 174.2169 53 T 4.7801 8.5212 124.8873 62.1430 70.3272 173.2535 54 L 5.0650 9.0714 129.7351 53.2962 44.6044 175.0390 55 V 4.4782 8.6702 127.0107 60.9972 33.3415 174.0963 56 D 4.7078 8.5792 129.4980 54.2215 41.2471 175.5936 57 L 4.7401 8.4840 126.5240 52.5647 43.4541 175.2121 58 P 4.2277 0.0000 0.0000 62.2589 31.8589 176.7242 59 G 3.7733 8.4491 111.0686 46.7293 0.0000 172.3750 60 T 4.5166 8.2853 115.8491 61.0227 70.5668 173.7788 61 Y 4.5724 8.3339 122.1885 58.3630 38.8142 175.8148 62 S 4.9777 7.5821 111.4503 57.4467 65.7396 174.8321 63 L 4.3543 9.6508 127.0910 57.6730 41.8973 178.9793 64 T 4.2155 7.9161 116.7785 63.1196 67.7680 174.5719 *71 S 4.2835 7.8208 115.2710 57.7778 65.6772 173.2743 72 L 4.0277 8.2784 122.0627 58.5259 41.4717 179.0138 73 D 4.2017 8.1981 117.6782 57.8236 40.6352 178.3972 74 E 3.9000 8.2457 118.5157 60.0155 29.4678 179.2391 75 Q 4.0886 7.6715 116.2238 58.6226 28.6789 178.5592 76 I 3.3445 7.5806 120.7457 64.1572 37.0053 177.8771 77 A 3.8581 7.4328 121.0080 55.6654 18.2332 179.3477 78 C 4.0166 7.8526 116.5456 62.7248 31.6389 175.1635 79 H 4.2749 8.4234 121.3789 58.8210 29.1145 176.5766 80 Y 4.0488 8.3657 121.6670 60.9310 38.4749 177.9384 81 I 3.5211 7.8051 119.5358 64.2321 37.2769 177.5010 82 L 4.0864 7.4622 119.1561 56.5802 42.1292 178.4159 83 S 4.1947 7.5875 113.6992 59.4245 61.6852 175.5235 84 G 3.8035 7.4383 109.6267 45.1374 0.0000 174.4246 85 D 4.4484 7.8484 118.9017 56.8753 41.2443 176.7555 86 A 4.5787 6.6649 119.8844 50.9125 19.3503 177.0801 87 D 4.6006 8.9402 122.7670 57.0677 41.6638 176.5688 88 L 4.6278 7.5280 117.7903 53.8015 45.8264 173.9760 89 L 5.2578 8.8279 123.4195 53.0229 45.3223 175.4493 90 I 4.7628 8.7798 123.9727 59.8666 39.2988 174.2545 91 N 5.2034 9.2520 127.6528 51.8864 40.0824 174.0106 92 V 4.2687 8.4476 128.0938 62.6208 32.2342 175.3249 93 V 4.3874 8.7645 128.8349 60.8857 34.3742 173.9748 94 D 4.7552 9.4486 128.1829 53.7058 41.0499 176.7587 95 A 4.0126 8.8477 130.9344 54.6662 18.5333 178.0720 96 S 4.5647 8.4888 109.1142 58.9636 64.1628 174.3288 97 N 5.0708 8.2610 119.3271 51.4179 39.7814 175.5186 98 L 3.9376 8.0940 123.4028 58.3062 42.5147 177.1511 99 E 3.9370 8.1116 117.1310 59.4554 30.1312 178.2268 100 R 4.1235 8.0331 118.1403 59.6671 29.6898 178.0683 101 N 4.6229 8.4018 116.2336 56.0519 38.4866 177.1189 102 L 4.3904 8.1054 121.1789 56.1405 41.8176 178.4213 103 Y 3.8934 7.7209 119.3723 60.7217 38.6344 177.9989 104 L 4.3362 7.8988 120.0552 58.4559 42.0876 178.9027 105 T 3.8501 7.8731 115.2832 66.6419 68.3832 176.0581 106 L 3.9269 8.2420 122.5111 58.2117 41.9679 179.0719 107 Q 4.0537 7.6643 116.6491 58.8046 28.3873 178.5706 108 L 3.7688 7.5729 119.6690 57.9127 41.7202 179.7335 109 L 3.9691 7.9395 118.6989 57.7340 41.3111 179.3827 110 E 4.0210 8.2893 118.1153 59.4060 29.5325 179.1976 111 L 3.8403 7.5729 117.9973 55.5134 41.4941 178.3358 112 G 3.8427 7.6282 106.1856 45.8083 0.0000 173.3428 113 I 3.9391 7.1292 120.4583 59.6496 37.8034 174.1887 114 P 4.4993 0.0000 0.0000 63.7775 32.1727 174.7012 115 C 5.2387 8.7811 122.9590 57.8794 35.3050 173.1317 116 I 4.6428 8.5962 124.7632 59.5613 41.0177 174.3785 117 V 4.4992 8.5479 127.2660 61.9560 32.9782 174.4851 118 A 5.0069 8.9336 131.1398 50.3987 20.5190 175.8397 119 L 4.5228 8.7446 123.6971 55.1615 43.0788 176.2318 120 N 4.7820 9.6066 125.3359 52.0690 39.2637 174.8180 *122 L 4.3100 8.3261 126.3711 54.7227 44.2194 179.4972 123 D 4.0295 7.9239 117.8763 57.1554 40.4955 178.7522 124 I 3.7568 7.6738 119.1794 64.0664 37.4965 177.7427 125 A 4.1853 8.0857 123.5703 55.9228 18.3316 179.6423 126 E 3.9230 8.8881 117.6384 61.6147 29.4934 181.5465 127 K 4.2225 7.7829 117.9957 58.4698 30.7130 178.3508 128 Q 4.5647 8.0837 116.5958 55.5254 29.2160 175.5525 129 N 4.3327 7.9263 115.0665 55.0991 36.6015 174.0917 130 I 4.2606 7.2897 120.8724 60.5192 38.2406 176.2819 131 R 4.7223 8.3958 123.5688 54.1634 32.1375 171.1441 132 I 4.8194 8.0543 121.5734 58.8887 39.5478 176.4097 133 E 4.2093 9.2646 126.9219 55.0773 28.5885 176.9707 134 I 3.6856 8.1448 126.7307 64.5718 37.3870 177.6720 135 D 4.3363 8.0793 118.6300 57.0827 40.5961 178.5776 136 A 3.9895 7.9163 121.0951 54.8461 18.3691 179.3005 137 L 3.8428 8.1217 118.9908 58.3911 42.2044 178.9975 138 S 4.1562 8.3553 113.1894 61.5106 62.0435 176.0644 139 A 3.9854 8.1517 122.7109 55.2602 18.1977 179.5683 140 R 4.0410 7.6461 115.4709 59.1057 30.2132 178.8587 141 L 4.2211 8.1283 118.7232 55.4746 41.8739 178.2389 142 G 3.9386 9.0566 106.3782 45.4571 0.0000 172.0073 143 C 5.1348 7.4947 112.0071 55.4045 33.1983 171.9465 144 P 4.5056 0.0000 0.0000 62.7303 32.4646 175.5760 145 V 4.6746 8.2789 121.5840 61.2835 34.1835 174.6365 146 I 4.5348 8.9473 129.7307 58.4928 39.5899 173.3318 147 P 4.4319 0.0000 0.0000 62.9032 31.4900 177.4871 148 L 4.3773 8.6577 128.2108 52.9780 39.7560 176.0448 149 V 3.6520 7.6971 121.2536 62.8370 32.6628 176.9948 150 S 4.2667 8.6869 121.7787 60.7797 63.8324 174.3143 151 T 4.0199 7.8936 118.7106 64.8300 68.2569 174.0493 152 R 3.5109 9.6071 124.7103 57.0804 28.0189 176.9294 153 G 3.9183 8.0632 102.9758 46.7749 0.0000 176.7374 154 R 3.9673 8.1692 121.0965 58.9534 29.9701 178.7908 155 G 3.8476 8.3410 105.9041 48.1762 0.0000 175.3850 156 I 3.6012 7.6924 122.0873 63.9971 37.1714 178.0998 157 E 3.8756 8.1775 118.9180 59.5714 29.2195 179.4755 158 A 4.0085 8.2714 120.8188 54.7746 18.3374 179.4025 159 L 3.8867 8.5490 119.3066 58.3459 42.2236 179.3169 160 K 4.0474 8.7761 119.0024 59.3783 31.7596 178.9348 161 L 3.9381 7.9140 119.2538 58.2097 42.4468 178.4528 162 A 4.1918 8.3213 120.9072 55.3237 18.1983 179.5097 163 I 3.7178 8.2337 118.5711 64.9255 37.0459 178.4835 164 D 4.6589 8.1179 117.8704 56.5087 40.6260 177.9961 165 R 4.5433 7.4337 116.3012 54.9375 30.7741 176.0272 166 Y 4.3646 7.2478 117.6702 57.2578 38.4572 175.1253 167 K 4.0710 8.1221 118.8944 55.3841 35.4167 175.0266 168 A 4.1188 8.2545 121.8297 52.0949 18.6821 177.3724 169 N 4.5977 8.5327 118.3574 53.1632 39.2871 175.0751 170 E 4.0415 8.9185 121.5402 56.6719 30.5060 177.7693 171 N 4.6851 8.4466 123.9451 52.6946 38.1427 175.3318 172 V 3.8436 7.1860 118.4360 61.0833 32.9494 176.1740 173 E 4.0528 8.6207 123.0886 56.3421 30.0868 174.5420 174 L 4.2105 8.1525 125.8052 55.2076 42.8258 176.7658 175 V 3.7107 7.8985 121.4983 62.6744 33.0423 175.5401 176 H 4.5683 8.0927 126.4221 54.6004 29.1023 173.3099 177 Y 4.3448 7.8786 122.6403 56.4449 39.2120 175.7762 178 A 4.0915 8.6617 125.5514 52.5062 19.3119 178.1568 179 Q 3.9807 9.1127 123.3522 59.3538 28.9132 178.0047 180 P 4.2802 0.0000 0.0000 65.0130 31.2777 178.7592 181 L 3.9244 7.8428 118.0519 57.7167 41.5016 179.1058 182 L 3.9270 7.9641 118.4136 57.9369 41.5400 179.2106 183 N 4.2901 8.3557 116.4612 56.4825 38.2277 177.1433 184 E 3.9208 8.3806 120.4702 59.1124 29.6459 178.6868 185 A 3.9365 8.1941 121.0706 55.0309 18.5135 179.0815 186 D 4.3361 8.3773 118.0947 57.6915 40.7332 179.4285 187 S 4.1148 7.7819 113.0653 61.5860 62.8750 176.2118 188 L 4.0565 7.9949 122.5822 57.2456 41.0673 179.3828 189 A 4.0458 7.9061 120.4926 54.7714 18.4476 179.3240 190 K 4.1726 7.9071 115.1988 57.9802 34.1152 177.8544 191 V 4.0620 6.9173 120.2380 60.4406 30.5482 171.9000 *193 P 4.1606 0.0000 0.0000 62.0309 32.6104 177.7372 194 S 4.3548 8.7123 117.5907 59.6633 62.6113 174.3412 195 D 4.5004 8.1028 118.4755 55.5167 39.2771 175.9506 196 I 4.4166 7.1169 121.4423 58.7575 39.0463 174.3580 197 P 4.3105 0.0000 0.0000 62.6356 32.9857 176.9645 198 L 3.9406 8.6857 122.7943 58.5623 41.8252 179.5685 199 K 3.9528 7.9510 118.6289 59.7291 32.2524 178.7526 200 Q 4.0869 8.0099 117.8647 58.8449 28.7170 178.5576 201 R 3.9846 8.5041 119.6352 59.4304 30.2683 179.2167 202 R 3.9362 8.2787 117.9164 58.9583 30.0581 178.9125 203 W 4.0618 8.2488 128.0384 60.5110 30.5197 177.8316 204 L 3.9760 8.4239 118.1810 57.9213 41.1479 179.5556 205 G 3.6515 7.9038 104.4818 47.5777 0.0000 175.2070 206 L 3.9398 7.4677 122.2535 57.7119 41.9945 179.7363 207 Q 3.9834 7.2894 115.6968 56.2868 28.2017 178.1624 *209 L 4.2230 7.9050 121.9384 54.6290 43.5517 177.7311 210 E 4.0290 7.6219 117.2153 56.5231 29.7610 176.8657 211 G 4.0908 8.2624 105.1834 45.3739 0.0000 173.3227 212 D 4.4206 7.8750 119.9558 54.3450 41.9598 175.9837 213 I 4.0923 8.5189 128.9352 64.3251 38.2509 178.1630 *214 Y 4.1508 8.1143 118.3294 60.1212 37.0822 180.5001 215 S 4.4493 8.3669 115.7101 61.7958 62.9223 176.6895 216 R 3.9536 7.9606 120.2288 59.5563 29.5712 178.7369 217 A 3.9400 7.6570 119.5570 54.9527 18.1944 178.5303 218 Y 4.2861 8.1994 114.1164 59.1301 38.4139 176.7840 219 A 4.6144 7.8866 121.6287 51.1504 20.2495 179.3058 220 G 3.8928 7.9317 107.8491 46.5280 0.0000 176.4234 221 E 4.0673 9.1521 125.1272 58.9666 29.0397 177.5199 222 A 4.0077 8.1115 121.2156 55.4592 18.0816 179.6638 223 S 4.1423 8.0370 110.9988 60.7604 63.2873 175.6556 224 Q 4.2073 7.9674 119.9022 57.8116 29.0564 176.5377 225 H 4.6209 8.3334 117.9952 56.3682 29.3095 176.7897 226 L 3.9298 7.7344 122.6843 58.2770 41.9782 178.3198 227 D 4.2858 8.0869 118.0956 57.1906 40.8050 178.3729 228 A 3.9421 8.0039 120.5004 55.1116 18.3704 179.0917 229 A 4.1527 8.1728 120.8338 54.8783 18.5985 179.8726 230 L 3.8870 8.6176 117.3672 57.8904 41.4483 179.6917 231 A 4.0081 8.1253 120.1737 54.9408 18.6568 179.4327 232 R 3.9569 8.0347 117.1877 59.6825 30.2506 178.6234 233 L 3.9965 8.0503 118.8671 58.0282 41.4492 179.6040 234 R 4.1943 7.6923 115.4641 58.3112 30.0156 178.2424 235 N 4.5366 7.9122 115.7607 55.2768 38.7025 175.5277 236 E 4.3232 8.1390 117.6756 56.8780 30.0992 176.4185 *238 D 4.6874 7.8811 118.3865 54.3118 42.9459 175.7618 239 D 4.7041 7.5370 118.3278 50.9361 43.0942 173.4023 240 P 4.1960 0.0000 0.0000 66.0458 31.2602 178.3425 241 A 4.0222 7.9570 120.2604 54.4163 18.2674 179.1807 242 L 4.0041 7.8842 118.5510 58.4847 42.3038 178.5306 243 H 4.1223 8.8073 116.7202 58.8464 28.5816 177.8864 244 I 3.9741 7.9088 121.1383 64.3508 37.0176 178.1974 245 A 4.1256 8.0575 121.5803 55.5438 18.2497 179.4130 246 D 4.4448 8.9183 117.4809 57.5078 40.8450 179.0172 247 A 3.9934 8.1811 121.3377 54.9162 18.3511 179.7892 248 R 3.8283 8.0177 116.6441 59.6682 30.2458 178.6414 249 Y 4.1506 8.1912 119.1590 60.6347 38.8223 177.6558 250 Q 3.6441 8.2657 120.5203 59.3029 29.2490 177.8782 251 C 3.9695 7.9944 119.4393 62.6275 31.5383 175.7120 252 I 3.6631 7.8329 121.0571 64.4009 36.7297 178.4183 253 A 3.8397 8.1514 121.6774 54.7555 18.1413 179.5716 254 A 3.8860 7.9381 119.5933 55.2258 18.4110 179.9572 255 I 3.7318 7.5392 117.8245 64.8704 37.2123 178.5815 256 C 4.2205 8.2253 117.5151 62.7321 27.6357 175.9332 257 D 4.3345 7.8552 120.1071 57.2832 40.4445 178.6313 258 V 3.7310 7.2096 116.5540 65.7339 31.7895 177.8752 259 V 3.8321 7.9054 118.1245 64.9413 31.3393 175.9818 260 S 5.0180 7.9957 116.2953 57.6682 63.1735 173.6454 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 2 K 8.27 4.34 0.00 1.87 1.79 0.00 1.77 0.00 0.00 1.91 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.50 7.81 3 K 8.59 4.92 0.00 1.65 1.57 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.29 1.11 7.81 4 L 8.52 5.09 0.00 1.38 1.37 0.60 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.53 5.04 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 1.21 0.00 0.00 6 I 8.86 4.86 1.89 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 1.01 0.56 0.99 0.00 0.00 7 G 8.87 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.93 5.32 0.00 1.94 1.60 1.14 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.57 4.79 1.90 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 1.16 1.20 0.99 0.00 0.00 10 G 8.26 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.54 5.11 0.00 2.67 2.39 0.00 0.00 7.36 8.03 0.00 0.00 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 P 0.00 4.19 0.00 2.16 2.12 0.00 2.36 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 13 N 8.58 4.84 0.00 2.90 2.94 0.00 0.00 6.68 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.53 4.60 0.00 3.93 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 15 G 8.37 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 16 K 8.02 3.93 0.00 1.83 1.80 0.00 1.88 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.56 7.81 17 T 7.88 3.90 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 18 T 8.02 3.88 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 1.21 0.00 0.00 19 L 7.98 4.11 0.00 1.77 1.85 0.84 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.43 3.90 0.00 3.30 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 21 N 8.60 4.33 0.00 2.80 2.86 0.00 0.00 7.12 8.72 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 22 Q 8.23 3.93 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 23 L 7.86 3.70 0.00 1.31 1.11 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.27 4.46 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 0.64 0.00 0.00 25 G 8.28 3.67 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 0.00 0.00 0.00 26 S 8.73 4.47 0.00 3.99 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 27 R 7.90 4.37 0.00 2.17 1.91 0.00 3.11 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 28 Q 7.53 5.17 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 29 R 9.23 4.71 0.00 1.70 1.80 0.00 3.08 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 30 V 8.42 4.32 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 0.79 0.00 0.00 0.92 0.00 0.00 31 G 8.87 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 0.00 0.00 0.00 0.00 32 N 8.33 5.39 0.00 2.66 2.60 0.00 0.00 6.84 7.95 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 33 W 9.37 4.29 0.00 3.35 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 9.05 4.05 1.35 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 0.00 0.00 35 G 9.19 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 0.00 0.00 0.00 36 V 7.70 4.52 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 0.79 0.00 0.00 1.12 0.00 0.00 37 T 8.24 4.54 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 38 V 7.60 3.84 2.26 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 1.10 0.00 0.00 0.96 0.00 0.00 39 E 9.00 4.46 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 40 R 8.34 4.28 0.00 0.67 1.12 0.00 2.21 0.00 0.00 2.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 41 K 8.30 4.86 0.00 1.21 1.29 0.00 1.39 0.00 0.00 1.44 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.30 7.81 42 E 8.91 5.43 0.00 1.88 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 0.00 2.16 2.07 0.00 43 G 8.85 4.47 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 0.00 44 Q 9.00 5.30 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 45 F 8.78 5.25 0.00 3.01 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.85 5.07 0.00 3.98 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.32 4.97 4.38 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 1.47 0.00 0.00 48 T 8.53 4.07 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 49 D 7.97 4.76 0.00 2.65 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 0.00 0.00 0.00 0.00 50 H 7.75 5.27 0.00 3.06 3.05 0.00 5.78 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 9.15 4.69 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 52 V 8.51 4.61 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.52 0.00 0.00 53 T 8.52 4.78 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 1.21 0.00 0.00 54 L 9.07 5.07 0.00 1.86 1.62 1.13 0.57 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 55 V 8.67 4.48 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 1.01 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0.00 0.00 0.00 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 *71 S 7.82 4.28 0.00 4.08 4.05 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 72 L 8.28 4.03 0.00 1.70 1.74 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.20 4.20 0.00 2.68 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 74 E 8.25 3.90 0.00 2.06 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 2.43 2.48 0.00 75 Q 7.67 4.09 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 76 I 7.58 3.34 1.54 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.44 -0.97 0.00 0.00 77 A 7.43 3.86 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 78 C 7.85 4.02 0.00 3.02 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 87 D 8.94 4.60 0.00 2.49 2.73 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 88 L 7.53 4.63 0.00 1.12 1.04 0.81 0.22 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 89 L 8.83 5.26 0.00 1.59 1.52 0.89 1.24 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 90 I 8.78 4.76 1.92 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 1.14 0.78 0.93 0.00 0.00 91 N 9.25 5.20 0.00 2.79 2.71 0.00 0.00 6.41 7.74 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 92 V 8.45 4.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 93 V 8.76 4.39 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 0.91 0.00 0.00 0.95 0.00 0.00 94 D 9.45 4.76 0.00 2.82 2.73 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 95 A 8.85 4.01 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 96 S 8.49 4.56 0.00 3.99 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 97 N 8.26 5.07 0.00 2.75 2.80 0.00 0.00 6.59 7.21 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 98 L 8.09 3.94 0.00 1.77 1.68 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.11 3.94 0.00 2.04 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 2.38 2.41 0.00 100 R 8.03 4.12 0.00 1.96 1.99 0.00 3.15 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 101 N 8.40 4.62 0.00 3.14 2.90 0.00 0.00 7.05 6.54 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 0.00 102 L 8.11 4.39 0.00 1.93 1.74 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.72 3.89 0.00 3.33 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.90 4.34 0.00 2.15 1.88 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.87 3.85 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 106 L 8.24 3.93 0.00 1.78 1.64 0.89 0.59 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 0.00 107 Q 7.66 4.05 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 108 L 7.57 3.77 0.00 1.74 1.64 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.94 3.97 0.00 1.67 1.69 0.95 0.76 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 0.00 110 E 8.29 4.02 0.00 2.14 2.22 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 2.49 2.55 0.00 111 L 7.57 3.84 0.00 1.44 1.39 0.21 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 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0.00 0.00 6.79 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 0.00 130 I 7.29 4.26 1.88 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 1.17 0.54 0.98 0.00 0.00 131 R 8.40 4.72 0.00 1.70 1.76 0.00 3.19 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.00 132 I 8.05 4.82 1.88 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 1.36 0.92 0.00 0.00 133 E 9.26 4.21 0.00 2.20 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 2.30 2.39 0.00 134 I 8.14 3.69 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 1.64 0.43 0.96 0.00 0.00 135 D 8.08 4.34 0.00 2.76 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 0.00 136 A 7.92 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.12 3.84 0.00 1.77 1.85 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.36 4.16 0.00 3.91 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 0.00 139 A 8.15 3.99 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 0.00 140 R 7.65 4.04 0.00 1.86 1.98 0.00 3.31 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 141 L 8.13 4.22 0.00 1.60 1.72 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 142 G 9.06 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 0.00 143 C 7.49 5.13 0.00 3.14 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 0.00 144 P 0.00 4.51 0.00 2.12 2.03 0.00 3.78 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 2.16 2.11 0.00 145 V 8.28 4.67 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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154 R 8.17 3.97 0.00 1.93 1.98 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 155 G 8.34 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 0.00 0.00 0.00 156 I 7.69 3.60 1.94 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.05 0.75 0.00 0.00 157 E 8.18 3.88 0.00 2.13 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 2.50 2.47 0.00 158 A 8.27 4.01 1.35 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 0.00 0.00 159 L 8.55 3.89 0.00 1.76 1.79 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 160 K 8.78 4.05 0.00 1.97 1.94 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.65 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.58 1.55 7.81 161 L 7.91 3.94 0.00 1.64 1.90 0.94 0.97 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 0.00 162 A 8.32 4.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 I 8.23 3.72 2.15 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.92 0.00 0.00 164 D 8.12 4.66 0.00 2.87 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 0.00 165 R 7.43 4.54 0.00 1.86 1.96 0.00 3.19 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 166 Y 7.25 4.36 0.00 3.05 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 0.00 167 K 8.12 4.07 0.00 1.73 1.66 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.41 7.81 168 A 8.25 4.12 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 N 8.53 4.60 0.00 2.72 2.91 0.00 0.00 7.01 7.66 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 0.00 170 E 8.92 4.04 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 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0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.66 0.92 0.00 0.00 197 P 0.00 4.31 0.00 2.13 1.97 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 198 L 8.69 3.94 0.00 1.75 1.70 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 199 K 7.95 3.95 0.00 1.87 1.78 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.56 7.81 200 Q 8.01 4.09 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 201 R 8.50 3.98 0.00 1.99 2.00 0.00 3.35 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 202 R 8.28 3.94 0.00 2.07 2.01 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 203 W 8.25 4.06 0.00 3.38 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 L 8.42 3.98 0.00 1.88 1.77 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 205 G 7.90 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 L 7.47 3.94 0.00 1.73 1.30 0.51 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 207 Q 7.29 3.98 0.00 1.84 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.15 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 *209 L 7.91 4.22 0.00 1.70 1.70 0.83 0.90 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 0.00 210 E 7.62 4.03 0.00 1.98 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 2.30 2.39 0.00 211 G 8.26 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 D 7.88 4.42 0.00 2.59 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 0.00 213 I 8.52 4.09 1.88 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 1.27 1.18 0.91 0.00 0.00 *214 Y 8.11 4.15 0.00 2.23 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 0.00 215 S 8.37 4.45 0.00 3.89 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 0.00 216 R 7.96 3.95 0.00 2.07 2.01 0.00 3.27 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 217 A 7.66 3.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 Y 8.20 4.29 0.00 3.18 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 0.00 219 A 7.89 4.61 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 0.00 220 G 7.93 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 0.00 221 E 9.15 4.07 0.00 2.26 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 2.42 2.40 0.00 222 A 8.11 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 S 8.04 4.14 0.00 4.04 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 Q 7.97 4.21 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.69 2.31 0.00 225 H 8.33 4.62 0.00 3.27 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 L 7.73 3.93 0.00 1.75 1.80 0.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 227 D 8.09 4.29 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 A 8.00 3.94 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 229 A 8.17 4.15 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 L 8.62 3.89 0.00 1.85 1.72 0.90 1.34 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 0.00 231 A 8.13 4.01 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 232 R 8.03 3.96 0.00 2.13 2.05 0.00 3.28 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 1.62 1.67 0.00 233 L 8.05 4.00 0.00 1.87 1.69 0.89 0.95 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 0.00 234 R 7.69 4.19 0.00 1.80 1.98 0.00 3.15 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 235 N 7.91 4.54 0.00 2.94 2.87 0.00 0.00 6.91 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 E 8.14 4.32 0.00 1.94 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 2.45 2.40 0.00 *238 D 7.88 4.69 0.00 2.72 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 0.00 239 D 7.54 4.70 0.00 2.78 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 0.00 240 P 0.00 4.20 0.00 2.24 2.30 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 241 A 7.96 4.02 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 0.00 242 L 7.88 4.00 0.00 1.72 1.80 0.95 1.08 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 0.00 243 H 8.81 4.12 0.00 3.51 3.44 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 I 7.91 3.97 2.12 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 1.09 0.00 0.00 245 A 8.06 4.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 D 8.92 4.44 0.00 2.83 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 0.00 247 A 8.18 3.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 R 8.02 3.83 0.00 2.27 2.14 0.00 3.34 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.00 0.00 249 Y 8.19 4.15 0.00 3.17 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 250 Q 8.27 3.64 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 251 C 7.99 3.97 0.00 2.93 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 0.00 252 I 7.83 3.66 1.88 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 1.66 0.80 0.99 0.00 0.00 253 A 8.15 3.84 0.79 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 0.00 254 A 7.94 3.89 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 255 I 7.54 3.73 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.64 0.90 0.00 0.00 256 C 8.23 4.22 0.00 2.94 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 0.00 257 D 7.86 4.33 0.00 2.63 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 0.00 258 V 7.21 3.73 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 0.78 0.00 0.00 0.95 0.00 0.00 259 V 7.91 3.83 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 1.00 0.00 0.00 0.95 0.00 0.00 260 S 8.00 5.02 0.00 4.02 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 * Residues marked with a * may have inaccurate shift predictions.