NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2677 8.1844 122.5001 54.9071 42.3028 174.8457 2 L 4.5347 8.2532 128.4741 53.3546 43.4085 173.2952 3 L 5.4266 9.0073 127.1588 53.2104 45.2895 174.7509 4 C 4.8684 9.4318 122.8822 57.6345 34.8539 172.0740 5 D 4.9501 9.1900 126.8743 52.7444 42.4282 174.4686 6 I 3.9495 8.4783 128.1591 59.9803 38.5703 175.8063 7 G 4.4735 8.6489 118.4738 43.6716 0.0000 172.0405 8 N 4.4718 8.6310 115.2660 55.3537 39.0443 176.1785 9 S 4.7169 7.8682 112.0714 58.8655 65.8694 174.2152 10 N 5.3650 8.0368 114.6838 51.3374 43.0879 173.8857 11 A 4.7128 8.9716 124.1837 49.8176 20.2168 174.8910 12 N 4.5762 8.4917 118.9609 54.5622 39.8736 174.3869 13 F 5.0672 9.1751 123.7889 55.4946 42.4303 175.1149 14 L 4.4430 8.5658 123.2353 53.9765 43.9720 175.7929 15 D 4.4598 8.7671 126.2490 54.9630 43.1291 176.1066 *18 K 4.1529 7.5781 119.3736 56.1713 32.0273 173.7723 19 Y 4.6708 8.3168 124.1035 56.8703 39.9334 174.6837 20 F 4.6196 6.3768 117.9182 56.8513 41.4655 172.6906 21 T 5.0568 8.7106 116.2482 61.9852 72.0028 173.3204 22 L 5.1383 8.9109 125.5116 53.0319 44.8854 176.1297 23 N 5.2200 8.6236 118.8673 52.0626 38.8969 176.5574 24 I 3.7781 8.2427 119.3073 64.8656 36.8604 178.6521 25 D 4.4170 8.1715 117.7217 57.2677 40.8935 178.6617 26 Q 4.1910 9.3491 119.2703 59.0373 28.8503 178.0639 27 F 4.3009 8.7153 122.0714 61.5183 39.0915 177.0608 28 L 3.8696 8.2321 117.6057 57.5238 41.5049 177.7894 29 E 4.5252 7.9356 115.0386 56.2495 30.8548 176.8613 30 F 4.6855 7.2712 128.7700 57.6012 38.3213 178.2325 *36 I 4.4986 8.2649 124.1001 60.8058 38.0445 173.2260 37 F 5.1071 8.5506 126.9253 57.4011 40.2729 174.5171 38 Y 6.2439 9.3302 120.5323 54.5700 41.9562 173.9333 39 I 4.9311 8.5200 113.4902 59.3224 41.1295 173.6964 40 N 5.4309 8.6443 121.4773 52.4336 41.5574 174.1295 41 V 4.1594 8.3494 118.0316 61.1508 33.0562 176.1360 42 N 4.6349 8.7456 121.2785 52.3830 37.9030 175.1236 43 E 3.8908 8.7420 125.5015 59.9039 29.6315 179.4251 44 H 4.6269 7.7283 111.0209 56.8879 28.8806 176.4822 45 L 4.5661 8.0395 119.7895 54.3422 42.0404 178.0909 46 K 3.9643 7.9531 120.3303 59.7006 32.1105 178.1473 47 E 3.8992 8.2958 116.8697 60.3405 28.9546 178.3249 48 H 4.0815 8.2445 118.8062 58.6306 30.0930 176.7729 49 L 3.7899 7.6616 120.6630 57.3765 41.2105 179.4556 50 K 4.0015 7.7238 117.1371 59.6310 32.0975 178.4697 51 N 4.4200 7.7045 115.4342 55.1713 38.9404 175.2656 52 Q 4.3629 7.5540 120.2636 54.6542 29.3429 176.4377 53 K 4.3046 8.6585 124.6853 57.9682 32.8079 177.4583 54 N 4.4692 8.2485 115.2887 55.2610 37.6384 175.1664 55 F 4.6992 7.9586 117.5500 57.1354 40.0551 175.2706 56 I 4.5929 8.9035 124.6800 59.1981 39.8232 174.5714 57 N 3.8180 8.9174 126.6172 53.4338 39.1766 175.1501 58 L 4.7813 8.6107 124.7022 55.0940 42.8097 178.3962 59 E 4.0357 8.4998 120.6394 59.0316 29.3197 176.9741 60 P 4.3805 0.0000 0.0000 64.9366 31.4358 177.0427 61 Y 4.1677 7.8625 116.1570 59.1066 38.3511 175.9355 62 F 3.9581 7.6692 118.6541 57.0936 39.5413 174.7796 63 L 4.8010 8.2775 123.8418 52.9410 44.6118 175.9037 64 F 4.9170 8.7134 125.8620 57.0481 42.1051 173.1429 65 D 4.6744 8.3960 126.8584 54.1765 41.4555 175.8636 66 T 4.8495 8.2896 116.9840 60.6170 70.5437 172.8741 67 I 4.2767 7.9572 120.6595 60.9044 37.8415 174.4116 68 Y 4.5653 8.1749 122.8720 56.1219 39.8750 174.9019 69 Q 4.3238 8.3671 125.6595 56.2640 29.9339 175.6560 70 G 3.8737 8.8586 110.4956 46.2557 0.0000 173.6149 71 L 3.9587 8.4230 121.3325 54.3349 42.9091 177.3393 72 G 3.7015 8.3954 112.4630 44.8183 0.0000 174.1368 73 I 3.5176 8.0316 121.2592 63.1641 38.1017 178.0246 74 D 4.1104 7.7512 120.0150 56.2825 39.1554 178.7221 75 R 3.6723 7.5454 118.9141 58.8221 30.2510 178.5466 76 I 2.6480 7.1926 119.2752 64.1718 36.6173 178.1947 77 A 3.8897 7.6025 121.2150 55.0382 17.9111 179.5486 78 A 3.8694 7.5149 118.0265 55.5555 18.8996 179.4228 79 C 4.1938 8.1436 114.3900 61.9025 27.9767 175.4297 80 Y 4.3666 7.5768 121.4516 60.2841 38.5157 176.6500 81 T 4.2919 7.8118 107.3783 60.9872 69.1387 173.6958 82 I 4.2023 7.2551 122.9136 60.0250 38.9836 175.5872 83 E 4.0767 8.8160 125.5468 58.8627 29.7127 177.2268 84 D 4.7851 8.1501 116.0924 51.5368 44.8577 175.2270 85 G 4.4199 8.1161 111.5088 44.1146 0.0000 171.1003 86 V 4.4786 8.1865 120.6692 61.5904 33.2094 174.7371 87 V 4.6468 8.9652 128.4856 61.2755 33.6417 174.1441 88 V 4.6286 8.6461 129.1469 61.0656 33.7535 173.6899 89 D 5.3427 9.0554 127.7627 52.5468 43.8032 174.4496 90 A 4.8722 9.0683 129.3030 49.7413 20.6971 174.1211 91 G 4.0555 9.2991 118.6093 45.0872 0.0000 173.7900 92 S 4.2449 9.1023 117.0341 61.0547 63.7765 173.8371 93 A 5.2379 8.0111 118.5236 50.0066 23.3594 174.7941 94 I 5.0784 8.9283 119.6054 59.9600 40.1751 175.0948 95 T 4.7717 8.5578 118.3090 60.0338 71.1324 173.8104 96 I 4.5232 8.2366 126.1690 59.6395 39.6831 174.1174 97 D 5.4014 8.9777 127.5083 52.3692 44.4737 175.3694 98 I 4.7518 8.6965 122.8648 59.6746 39.9489 174.6376 99 I 4.5639 8.6398 127.9197 59.5607 40.6290 174.5307 *104 H 5.0007 8.7073 125.1163 56.5457 29.6691 172.4403 105 L 4.5787 8.8762 126.9294 54.7267 41.7426 175.8473 106 G 3.7514 7.6152 105.5701 44.4992 0.0000 173.1539 107 G 4.8069 8.0397 107.7593 46.1840 0.0000 171.4991 108 F 5.3766 8.2051 114.8983 55.3376 42.0328 173.3746 109 I 5.0646 8.5435 118.6744 59.6179 40.7093 174.8104 110 L 5.0304 8.9777 124.7513 52.0152 46.0357 174.2227 111 P 4.5568 0.0000 0.0000 62.3147 32.1532 176.9654 112 G 4.4726 9.1140 110.0586 45.8278 0.0000 174.9450 113 I 4.2307 8.8131 120.9021 64.4964 37.2126 178.7487 114 A 4.1790 8.2218 120.9799 55.0510 18.3212 179.0594 115 N 4.4197 8.1235 114.5434 56.0358 38.3057 176.9565 116 Y 3.9305 8.1591 118.4944 60.8969 37.8846 178.7057 117 K 3.8514 8.2469 119.2546 59.4321 32.2116 178.9203 118 K 4.1508 8.3199 121.2265 58.9115 32.0535 178.5184 119 I 3.6295 7.4366 112.5646 64.4627 37.2785 177.8354 120 Y 4.4938 7.5804 117.9889 60.6800 37.7926 178.2981 121 S 4.2792 8.5781 115.6781 61.6393 62.9026 176.4134 122 H 4.2378 8.1380 119.0788 58.6699 28.5697 177.4915 123 I 4.0985 7.6743 120.3310 63.1350 38.0740 176.8758 124 S 4.5483 8.1627 116.4092 55.7196 62.8704 170.7825 125 P 4.6553 0.0000 0.0000 61.4702 30.0407 175.8463 *131 F 4.7603 8.0597 120.7349 57.1966 40.2689 175.2906 132 N 4.8071 9.2232 123.7303 52.5760 37.8019 175.8471 133 T 4.0587 8.5029 116.7153 63.9960 69.3024 175.5025 134 Q 4.4383 8.0266 119.7123 55.4237 28.8580 176.1833 135 V 3.7537 7.4952 118.1553 61.9729 31.6852 176.1488 136 S 4.2987 8.5868 117.4005 58.4710 62.8324 173.7522 137 L 4.4021 8.3479 125.1398 55.2248 42.1485 176.8011 138 D 4.7216 7.9473 117.2603 53.6726 41.3069 175.8378 139 A 4.4623 7.4291 120.9884 49.7296 22.2053 176.1046 140 F 4.3118 8.0882 119.5460 56.5501 39.4901 174.2507 141 P 4.4491 0.0000 0.0000 63.2586 31.6685 176.0088 142 Q 4.5950 8.3983 116.2267 54.5493 30.9574 175.4819 143 K 4.6846 7.6369 117.0756 54.4364 37.0215 176.6763 144 T 3.8148 8.5363 116.9222 67.4272 68.3547 176.3787 145 M 4.0850 7.9742 119.2156 58.5940 32.3306 177.8463 146 D 4.4014 8.1062 118.4922 57.2487 41.2184 178.2005 147 A 3.9375 8.4447 121.6618 55.2507 18.4075 179.7683 148 L 3.7664 8.0086 117.2930 58.0727 41.7130 179.9875 149 S 3.2518 8.0556 115.1257 61.3525 62.6535 176.1942 150 Y 4.1098 8.3053 122.5485 60.3277 38.4420 177.6236 151 G 3.8217 8.0349 106.3960 48.7539 0.0000 174.9640 152 V 2.9532 7.3355 121.1750 64.9777 31.1212 177.7184 153 F 4.5157 7.5316 116.5822 60.8548 39.1932 177.8772 154 K 3.8824 8.1627 119.0963 58.7465 31.6962 179.2521 155 G 3.5877 7.7416 106.3262 47.7062 0.0000 175.8489 156 I 3.8470 7.7319 122.4529 64.2058 37.2053 177.5950 157 Y 4.2284 8.1270 120.3954 61.1213 38.5475 178.4685 158 L 3.8801 8.4258 119.8692 57.5265 41.5743 179.7627 159 L 4.0129 7.7341 118.9681 57.8883 41.6690 179.1435 160 I 3.6805 7.9620 119.6814 64.2828 36.8721 178.0519 161 K 3.9127 7.8344 119.4399 60.0838 32.4309 177.8091 162 D 4.4107 8.1770 117.5877 56.9973 40.8730 177.7727 163 A 4.2974 7.7397 119.9788 53.8446 18.9647 178.2973 164 A 4.5373 8.0754 118.2088 50.8095 18.9928 176.3727 165 Q 3.9256 7.3122 116.2756 57.5236 28.8700 176.6354 166 N 4.1201 8.1816 121.4765 52.9367 37.0712 173.6650 167 K 4.7214 8.7668 122.3904 53.6485 36.3631 176.5754 168 K 4.1871 8.3161 118.7738 56.7493 33.6217 176.0466 169 L 4.9131 7.9440 122.8444 53.6090 45.3977 174.5436 170 Y 5.3171 9.3054 123.6597 56.2698 41.6270 174.7195 171 F 5.3239 9.3378 120.8885 56.4832 43.7394 174.0747 172 T 4.7166 9.0683 115.1023 61.6667 71.3157 173.7989 173 G 4.4386 9.1799 105.8132 45.4086 0.0000 174.6561 174 G 3.3438 8.7001 108.3382 47.9720 0.0000 174.2223 175 D 4.9416 8.3402 117.7482 53.9403 41.7304 178.3235 176 G 3.8818 9.0407 110.1897 47.6323 0.0000 176.2523 177 Q 3.2267 7.1979 121.3402 58.6031 28.8641 177.3254 178 F 3.8472 7.9741 120.0464 61.7074 39.4139 176.9828 179 L 3.7206 7.4806 116.6085 57.2080 41.3437 179.3823 180 A 3.1402 6.8932 120.6126 54.7475 18.0278 179.1423 181 N 4.2383 7.4818 114.0505 56.5724 38.6110 176.4039 182 Y 4.2055 7.0845 115.7011 58.2823 38.2931 175.5442 183 F 4.9621 7.9045 118.9040 55.6152 42.3524 174.2367 184 D 4.7874 8.5981 123.0782 54.4425 42.4611 176.3927 185 H 4.1983 8.8973 116.9965 56.2397 26.1870 174.3097 186 A 5.0130 7.8595 120.2395 50.2094 21.5928 176.4946 187 I 4.5564 8.3111 120.9947 59.6126 40.3673 173.9377 188 Y 5.3425 8.7236 127.5021 56.0625 40.5835 174.2586 189 D 4.3253 8.1053 125.5745 52.2042 43.2425 175.3120 190 K 3.6193 8.4091 127.6196 58.1866 32.6642 177.1139 191 L 4.8452 8.3800 117.7612 54.3556 42.3857 177.6947 192 L 3.9420 7.8860 122.8277 58.2535 41.6418 179.1580 193 I 3.6171 7.3901 119.1964 64.3586 37.2963 177.9570 194 F 4.4336 7.5754 117.9190 60.8989 38.7717 177.9743 195 R 4.1478 8.3082 118.0182 58.9047 29.6820 179.1830 196 G 3.8934 7.8862 106.9300 47.7569 0.0000 175.3550 197 M 4.1387 8.2644 121.9690 58.2687 32.0129 179.2277 198 K 3.9567 8.5913 118.7135 59.2276 32.2868 179.3693 199 K 4.0208 8.0896 119.2006 58.8383 31.8833 179.0616 200 I 3.6383 7.2906 120.5335 64.3708 36.9195 178.0508 201 I 3.3316 6.9368 118.7727 64.0919 36.8412 178.0726 202 K 3.9634 7.8026 119.6611 59.6767 32.2438 178.5532 203 E 4.1743 8.0256 116.9981 57.7115 30.8893 176.9339 204 N 5.0857 7.5067 116.0584 50.6520 39.1228 173.3071 205 P 4.1530 0.0000 0.0000 65.2332 32.2350 178.7655 206 N 4.2600 8.2624 114.6780 55.8173 36.8773 176.0861 207 L 4.0523 7.8134 118.0216 56.8352 41.9040 177.0641 208 L 4.3928 7.4667 122.8335 54.7949 41.6723 176.1848 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 L 8.18 4.27 0.00 1.64 1.73 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.25 4.53 0.00 1.97 1.59 1.15 0.50 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 3 L 9.01 5.43 0.00 1.64 1.81 1.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 4 C 9.43 4.87 0.00 2.77 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 5 D 9.19 4.95 0.00 2.41 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 0.00 0.00 0.00 6 I 8.48 3.95 1.76 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.40 0.46 0.00 0.00 7 G 8.65 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 8 N 8.63 4.47 0.00 2.69 2.85 0.00 0.00 6.63 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 9 S 7.87 4.72 0.00 3.81 3.87 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 0.00 0.00 0.00 10 N 8.04 5.37 0.00 2.60 2.67 0.00 0.00 6.88 7.54 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 11 A 8.97 4.71 0.81 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 0.00 0.00 12 N 8.49 4.58 0.00 2.70 3.06 0.00 0.00 6.70 8.01 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 13 F 9.18 5.07 0.00 1.51 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 0.00 0.00 0.00 14 L 8.57 4.44 0.00 0.27 0.28 0.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.77 4.46 0.00 2.86 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 *18 K 7.58 4.15 0.00 1.92 1.86 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.57 1.51 7.81 19 Y 8.32 4.67 0.00 3.00 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 20 F 6.38 4.62 0.00 3.06 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 21 T 8.71 5.06 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 1.28 0.00 0.00 22 L 8.91 5.14 0.00 1.85 1.76 0.98 0.53 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 23 N 8.62 5.22 0.00 2.99 3.01 0.00 0.00 7.25 7.37 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 24 I 8.24 3.78 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.83 0.96 0.00 0.00 25 D 8.17 4.42 0.00 2.78 2.78 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 26 Q 9.35 4.19 0.00 2.45 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 27 F 8.72 4.30 0.00 3.22 3.31 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 28 L 8.23 3.87 0.00 1.90 1.71 0.94 0.89 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 29 E 7.94 4.53 0.00 2.00 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 2.28 2.23 0.00 30 F 7.27 4.69 0.00 3.01 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *36 I 8.26 4.50 0.66 0.00 0.00 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 1.30 0.90 0.73 0.00 0.00 37 F 8.55 5.11 0.00 3.03 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 9.33 6.24 0.00 3.25 3.23 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 39 I 8.52 4.93 1.76 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.86 0.87 0.00 0.00 40 N 8.64 5.43 0.00 2.78 2.88 0.00 0.00 6.92 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 41 V 8.35 4.16 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 0.65 0.00 0.00 0.85 0.00 0.00 42 N 8.75 4.63 0.00 2.79 2.76 0.00 0.00 7.11 7.17 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 43 E 8.74 3.89 0.00 1.92 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 2.38 2.31 0.00 44 H 7.73 4.63 0.00 3.14 3.32 0.00 5.65 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.04 4.57 0.00 1.80 1.62 0.73 1.09 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 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0.00 6.09 7.43 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 55 F 7.96 4.70 0.00 3.28 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 56 I 8.90 4.59 1.47 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.87 1.09 0.00 0.00 57 N 8.92 3.82 0.00 2.57 2.65 0.00 0.00 7.14 7.78 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 58 L 8.61 4.78 0.00 2.01 1.89 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.50 4.04 0.00 2.03 2.03 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 2.29 2.28 0.00 60 P 0.00 4.38 0.00 1.87 2.01 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.92 0.00 61 Y 7.86 4.17 0.00 2.84 2.90 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 62 F 7.67 3.96 0.00 2.86 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 71 L 8.42 3.96 0.00 1.66 1.57 0.08 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.40 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 0.00 0.00 0.00 73 I 8.03 3.52 1.83 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.95 0.80 0.00 0.00 74 D 7.75 4.11 0.00 2.75 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 75 R 7.55 3.67 0.00 1.70 1.89 0.00 3.00 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 76 I 7.19 2.65 1.39 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.49 0.31 0.00 0.00 77 A 7.60 3.89 1.09 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 78 A 7.51 3.87 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 79 C 8.14 4.19 0.00 2.99 3.07 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.66 0.00 2.03 2.02 0.00 3.77 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 *131 F 8.06 4.76 0.00 3.23 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 0.00 132 N 9.22 4.81 0.00 2.88 2.89 0.00 0.00 7.01 6.76 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 0.00 133 T 8.50 4.06 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 1.03 0.00 0.00 134 Q 8.03 4.44 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 135 V 7.50 3.75 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 1.01 0.00 0.00 1.10 0.00 0.00 136 S 8.59 4.30 0.00 3.86 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 0.00 137 L 8.35 4.40 0.00 1.38 1.33 0.86 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 138 D 7.95 4.72 0.00 2.59 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 0.00 139 A 7.43 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 F 8.09 4.31 0.00 3.06 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 4.45 0.00 1.93 1.90 0.00 3.26 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 142 Q 8.40 4.60 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 143 K 7.64 4.68 0.00 1.91 1.84 0.00 1.54 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.53 7.81 144 T 8.54 3.81 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 145 M 7.97 4.08 0.00 2.17 2.08 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 2.79 2.76 0.00 146 D 8.11 4.40 0.00 2.94 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 0.00 147 A 8.44 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.01 3.77 0.00 1.88 1.62 0.69 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.06 3.25 0.00 3.96 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 0.00 150 Y 8.31 4.11 0.00 3.14 2.99 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 0.00 151 G 8.03 3.82 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 0.00 0.00 0.00 152 V 7.34 2.95 0.74 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 0.21 0.00 0.00 0.32 0.00 0.00 153 F 7.53 4.52 0.00 3.09 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 0.00 154 K 8.16 3.88 0.00 0.98 1.29 0.00 1.05 0.00 0.00 1.49 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 0.93 7.81 155 G 7.74 3.59 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 0.00 156 I 7.73 3.85 2.20 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.93 1.18 0.00 0.00 157 Y 8.13 4.23 0.00 2.73 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 0.00 158 L 8.43 3.88 0.00 1.71 1.70 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.73 4.01 0.00 2.08 2.12 1.15 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 160 I 7.96 3.68 2.07 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 1.35 0.87 0.53 0.00 0.00 161 K 7.83 3.91 0.00 1.43 1.81 0.00 1.82 0.00 0.00 1.34 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.52 7.81 162 D 8.18 4.41 0.00 2.88 2.83 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 0.00 163 A 7.74 4.30 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 0.00 164 A 8.08 4.54 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 0.00 165 Q 7.31 3.93 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 166 N 8.18 4.12 0.00 2.71 2.81 0.00 0.00 6.92 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 0.00 167 K 8.77 4.72 0.00 1.63 1.69 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.43 7.81 168 K 8.32 4.19 0.00 1.80 1.61 0.00 1.87 0.00 0.00 1.94 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 169 L 7.94 4.91 0.00 1.49 1.28 0.14 0.13 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 0.00 170 Y 9.31 5.32 0.00 2.70 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 0.00 171 F 9.34 5.32 0.00 3.10 3.18 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 0.00 0.00 0.00 0.00 172 T 9.07 4.72 4.23 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 1.29 0.00 0.00 173 G 9.18 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 G 8.70 3.34 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 0.00 175 D 8.34 4.94 0.00 2.98 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 0.00 176 G 9.04 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 0.00 177 Q 7.20 3.23 0.00 0.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 178 F 7.97 3.85 0.00 2.84 3.18 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 0.00 0.00 0.00 0.00 179 L 7.48 3.72 0.00 1.60 1.77 1.26 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 180 A 6.89 3.14 1.07 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 0.00 0.00 181 N 7.48 4.24 0.00 2.28 2.57 0.00 0.00 7.09 6.91 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 0.00 182 Y 7.08 4.21 0.00 2.89 2.34 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 0.00 183 F 7.90 4.96 0.00 3.20 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 0.00 184 D 8.60 4.79 0.00 2.52 2.37 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 0.00 185 H 8.90 4.20 0.00 3.36 3.42 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 A 7.86 5.01 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 0.00 187 I 8.31 4.56 1.71 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.65 0.98 0.00 0.00 188 Y 8.72 5.34 0.00 2.92 2.90 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 0.00 189 D 8.11 4.33 0.00 2.63 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 K 8.41 3.62 0.00 1.57 1.60 0.00 1.44 0.00 0.00 0.61 0.00 0.00 2.66 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.91 1.26 7.81 191 L 8.38 4.85 0.00 1.83 1.78 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 192 L 7.89 3.94 0.00 1.66 1.59 0.80 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 193 I 7.39 3.62 1.41 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.47 0.58 0.00 0.00 194 F 7.58 4.43 0.00 3.25 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 0.00 195 R 8.31 4.15 0.00 2.12 2.00 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 196 G 7.89 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 0.00 197 M 8.26 4.14 0.00 2.22 2.47 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.79 0.00 198 K 8.59 3.96 0.00 1.88 1.85 0.00 1.87 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 199 K 8.09 4.02 0.00 2.09 2.15 0.00 1.60 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.51 7.81 200 I 7.29 3.64 1.51 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.36 0.38 0.00 0.00 201 I 6.94 3.33 1.77 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.27 0.61 0.00 0.00 202 K 7.80 3.96 0.00 1.79 1.95 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 203 E 8.03 4.17 0.00 2.04 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 2.37 2.56 0.00 204 N 7.51 5.09 0.00 2.49 2.47 0.00 0.00 6.84 8.41 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 0.00 205 P 0.00 4.15 0.00 2.14 2.07 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 206 N 8.26 4.26 0.00 2.82 2.99 0.00 0.00 6.05 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 0.00 207 L 7.81 4.05 0.00 1.32 1.52 0.16 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 208 L 7.47 4.39 0.00 1.57 1.60 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.