NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2565 8.2549 120.8635 55.9567 30.9970 175.1958 7 W 4.5633 7.6057 118.9153 54.7747 30.4958 176.0455 8 S 4.6783 9.9637 118.0290 57.6932 66.0170 175.1767 9 T 3.8466 8.5336 118.9591 67.0671 68.1126 176.0156 10 E 3.9816 8.2778 120.1799 59.5636 29.5843 178.6588 11 Q 4.0313 8.2421 117.8210 59.0459 28.7552 178.9510 12 I 3.5866 8.0525 120.8252 64.5512 37.1498 178.6175 13 L 3.9823 8.1982 119.7234 57.7886 41.4375 179.2816 14 D 4.2906 8.6028 119.2156 57.1945 40.7217 178.6383 15 A 3.8780 8.3281 121.5075 55.0934 18.3728 179.5754 16 A 4.0861 8.1806 119.2295 55.2272 18.4239 179.7385 17 A 3.8718 8.2297 119.5702 55.1951 18.1784 179.6919 18 E 3.8891 7.9957 116.2783 59.6370 29.6272 179.2684 19 L 4.1564 7.6971 117.8027 57.7974 41.7210 179.3192 20 L 4.1212 7.7594 118.2471 56.6180 41.9785 178.0990 21 L 4.0635 7.4495 118.0622 54.4257 42.1780 176.2117 22 A 4.5392 8.2455 124.8252 50.9008 21.5698 173.9295 23 G 3.7492 8.6210 113.7221 45.1143 0.0000 173.3995 24 D 4.2335 8.8006 125.4947 55.9902 41.5933 176.2652 25 A 3.7990 7.9708 117.6610 52.4968 15.1671 175.4240 26 E 4.1456 8.0558 120.9586 55.4127 30.7758 176.6687 27 T 3.9791 8.2512 118.5226 63.2195 68.7856 174.5030 28 F 4.2933 8.8758 129.5096 58.5533 40.1993 175.0183 29 S 4.2876 7.2236 120.4812 55.4981 67.1052 175.3130 30 V 3.3104 8.0475 123.5708 66.1807 31.3203 178.5723 31 R 3.8420 7.7543 117.2786 59.0532 29.8516 179.0060 32 K 3.8409 7.9305 118.2179 59.2458 32.0821 178.9626 33 L 3.8040 7.7172 120.3832 58.2312 41.8830 178.8839 34 A 3.9429 8.4696 120.5885 55.0695 18.2858 179.4592 35 A 3.9003 8.1277 119.3630 55.4143 18.2509 179.8549 36 S 4.0812 8.0907 110.8168 61.1530 62.5245 175.4263 37 L 4.2900 7.8415 118.9467 53.6461 41.5903 176.7087 38 G 4.1741 8.0707 106.8859 46.9342 0.0000 173.4403 39 T 4.7536 8.1482 116.1994 59.9753 69.6898 172.5851 40 D 4.9061 8.3022 117.7592 50.6953 43.9806 176.1005 41 S 3.7048 8.4281 116.2280 61.9960 62.8092 177.0136 42 S 4.0469 7.8509 118.4348 61.0096 62.5261 176.7226 43 S 4.1620 8.4469 117.9880 61.5809 62.3685 176.6398 44 L 4.1486 7.5461 120.4320 58.0652 41.7720 178.8969 45 Y 4.6976 7.8862 116.6215 61.3950 37.9091 178.8883 46 R 4.0480 8.3798 118.9935 59.5807 29.9490 178.3880 47 H 4.0665 8.3971 117.0561 58.9308 29.8416 176.3156 48 F 4.4367 8.0109 115.6652 57.2069 39.1073 176.3079 49 R 4.4630 8.9923 123.3433 56.2318 29.2269 176.5182 50 N 5.0909 7.4907 112.4046 50.0599 41.8269 174.8618 51 K 3.4451 8.3272 121.3447 60.0326 32.0241 178.7829 52 T 3.8218 7.7558 115.2317 66.7832 68.4133 176.3494 53 E 4.1662 8.8749 120.7948 59.0243 29.3465 179.2075 54 L 3.3957 7.8906 120.1338 58.0121 42.1161 179.0606 55 L 3.9900 8.0694 119.0055 57.8548 41.4781 179.6879 56 R 3.9687 8.5593 118.2900 59.2428 29.8456 179.0081 57 A 4.0087 7.9242 120.6316 54.9320 17.8131 179.9233 58 V 3.2677 7.9536 116.9370 66.0052 31.5929 178.0555 59 A 3.9799 8.1040 120.6874 55.2727 18.1734 179.0670 60 D 4.2366 8.2385 116.6043 57.5592 41.1879 178.6541 61 R 3.9629 7.7097 118.4489 59.1273 29.9484 179.2119 62 I 3.3574 7.0212 118.7572 64.1973 36.8001 178.3298 63 L 3.7407 7.2848 118.4236 57.4792 41.4292 179.0876 64 L 4.0046 7.9431 119.7479 58.0864 42.1265 178.5407 65 S 4.1866 7.8672 111.6408 61.3380 62.3241 176.5622 66 A 4.2491 7.6051 120.8851 51.1880 18.6691 176.2434 *68 D 4.1580 7.7658 119.3355 56.6996 41.9761 176.4733 69 G 3.8745 9.0184 114.1369 45.2572 0.0000 172.7459 70 Y 4.0650 7.3141 120.7989 57.9044 39.1437 175.7036 71 R 4.3731 7.4206 125.0645 53.2227 33.3665 173.3489 72 P 4.1431 0.0000 0.0000 62.6038 31.9376 175.2375 73 E 4.5281 8.0762 118.1749 55.7343 32.7743 175.5011 74 G 3.7759 8.5074 108.3104 45.0534 0.0000 173.0152 75 D 4.7875 8.8079 120.0673 51.9075 42.0370 176.9567 76 W 4.3837 8.8300 116.5293 59.8342 27.6222 178.4267 77 K 3.4177 7.0036 118.5340 59.1532 31.4568 179.0806 78 Q 3.9476 8.7387 118.5984 58.9991 28.5241 179.3314 79 R 4.0939 8.1748 119.0196 59.2713 30.1704 178.9666 80 L 4.0719 8.1275 118.7795 58.1927 41.5531 179.7665 81 T 3.8676 8.2903 115.6546 66.6025 68.4304 176.5138 82 A 4.0721 8.2631 122.7228 55.1493 18.3343 179.8846 83 V 3.4641 8.1761 116.5683 66.0781 31.5825 177.9536 84 A 4.2020 8.2071 120.5377 55.4860 18.1890 179.6888 85 L 4.0837 8.4408 117.5928 57.8680 41.6801 179.8269 86 R 3.9235 8.1751 118.0542 59.2883 30.0491 178.9513 87 L 3.9342 8.1874 118.8883 57.9110 41.4389 179.6925 88 R 3.8106 7.9936 117.3635 59.2342 30.3685 177.7795 89 E 4.0233 8.2733 119.1961 59.5766 29.5342 179.0928 90 S 4.0577 8.2005 115.1227 61.0065 62.7908 175.6265 91 F 4.7491 8.0740 118.7777 57.0606 38.5388 177.6098 92 G 3.7466 7.6953 109.2735 48.8159 0.0000 175.5099 93 Q 4.6113 7.9149 116.5949 55.3520 29.7105 176.5433 94 Q 4.6920 8.1375 114.7154 52.9321 29.9483 174.0620 95 P 4.2615 0.0000 0.0000 66.2317 31.7731 178.3508 96 Q 4.0061 8.0995 118.7798 58.9380 29.1061 178.0543 97 L 4.1896 8.0822 119.2867 57.4832 41.6927 179.0190 98 A 3.3702 8.5172 121.0487 54.9360 18.2658 179.5686 99 A 3.8536 7.9731 118.9191 54.9953 18.4159 179.9936 100 V 3.5694 7.7734 116.6363 65.8811 31.5629 177.9657 101 W 4.4184 8.3322 128.1472 60.7028 30.3801 178.2027 102 G 2.9771 7.9545 104.3835 47.1269 0.0000 174.9827 103 R 4.0819 7.6872 119.6718 57.8114 30.5490 176.5427 104 H 4.6974 8.2791 112.3437 54.1940 30.3287 174.7111 105 G 4.1297 8.2466 110.7319 44.9611 0.0000 173.4387 106 S 4.6458 8.4239 110.8901 57.3459 64.2955 176.4608 107 G 3.8947 8.6641 108.3246 45.4369 0.0000 173.4031 108 G 4.3743 7.4483 109.4055 44.4571 0.0000 173.8807 109 T 3.9538 8.7448 114.8284 66.5037 68.2470 176.4388 110 G 3.6153 8.5536 107.2504 48.0701 0.0000 175.4740 111 S 4.3713 8.1911 116.5994 61.1890 62.9229 176.7470 112 R 4.0968 7.9593 119.6329 58.8744 31.5743 178.2590 113 L 4.1660 7.8459 119.2851 54.9278 37.8829 177.3185 *116 E 4.2058 7.7423 122.9328 56.2035 32.1280 177.1946 117 E 3.9618 8.0278 118.4920 59.1623 29.5375 178.9362 118 V 3.6849 7.7739 117.8527 66.0475 31.7176 177.8499 119 L 4.0566 7.9504 118.2485 57.8856 41.4438 179.2792 120 Q 4.0046 8.4505 118.0269 59.0549 28.4677 178.8967 121 A 4.1492 8.1434 120.6463 55.2318 18.6026 179.4047 122 L 3.9742 8.5224 118.0048 57.8160 41.6727 179.8677 123 R 3.8320 8.4454 118.3949 59.2001 29.8070 178.9238 124 A 4.0718 7.9895 119.6216 54.5187 18.4240 179.3040 125 S 2.7900 6.8644 111.7500 58.9084 62.9004 175.5686 126 G 3.8148 7.5266 110.3398 45.0455 0.0000 173.8815 127 L 4.0340 7.0138 119.2756 53.6172 42.4266 175.4179 128 P 4.2978 0.0000 0.0000 62.5839 32.2603 177.0525 129 D 4.3572 8.8574 121.3933 57.6576 40.7791 178.5217 130 D 4.4216 8.0141 118.0615 55.8879 39.7260 177.4712 131 E 4.2832 8.2431 119.1546 57.6334 29.7553 178.5192 132 I 3.7069 7.4167 120.4149 63.9258 37.1521 176.2805 133 P 4.3335 0.0000 0.0000 65.6066 31.1344 178.5305 134 A 4.0266 7.9576 118.9438 55.2143 18.4014 179.5463 135 R 3.9164 8.3566 117.0419 59.5992 30.0702 178.3697 136 Y 4.0495 8.5492 119.5116 61.1175 38.7080 177.6175 137 H 3.9877 8.5629 118.8647 59.5568 29.8937 177.3834 138 R 3.8123 8.1534 119.6658 59.0794 29.8550 178.8948 139 L 3.7467 7.9032 120.2781 58.0909 42.0393 179.1952 140 V 3.4481 7.6730 118.5293 65.4711 31.2558 177.9480 141 I 3.3757 7.5935 120.1060 64.1319 36.9260 177.7812 142 L 3.7957 7.7859 120.9330 58.2641 41.8961 179.0153 143 I 3.7875 7.7134 119.6589 64.5691 37.1245 178.7163 144 S 4.0480 8.1290 115.3366 61.3714 62.6048 176.6167 145 S 3.9998 8.1140 118.9160 61.3031 62.6976 176.6053 146 L 4.0476 8.0691 121.6305 57.9083 41.2914 179.7574 147 I 3.7098 7.8748 119.6482 64.7234 36.8546 178.6534 148 T 3.8308 8.0819 115.5885 66.5943 68.3432 176.3731 149 A 4.1364 8.0228 121.5492 55.0817 18.4336 178.3023 150 E 4.1418 8.0293 118.0506 56.6416 30.1271 176.4049 151 G 3.8395 7.7207 108.3369 45.9269 0.0000 173.4975 152 G 3.8085 8.3350 112.6025 44.6157 0.0000 173.1204 *168 F 4.9278 8.4399 112.8304 56.1212 39.4560 175.5567 169 R 4.4930 7.4908 117.8054 53.7556 32.3725 175.4770 170 V 4.6764 7.7683 112.5955 59.2178 35.4723 175.9837 171 A 4.1394 8.5373 125.6518 54.8408 18.3851 178.9261 172 V 4.4826 7.2635 106.3101 59.6728 35.3727 176.5094 173 L 4.1444 8.4223 124.5587 54.2205 39.9869 178.0824 174 G 3.9313 8.3185 112.1797 45.2499 0.0000 169.9428 175 A 4.4755 8.0433 117.8669 50.7435 21.8352 175.6808 176 D 4.4066 9.0289 121.0856 54.0798 41.0906 175.6396 177 P 4.6169 0.0000 0.0000 65.0526 31.9935 178.5935 178 E 3.9177 8.4170 118.5638 59.3566 29.5354 177.9368 179 R 3.8456 7.4175 116.9289 57.5679 31.0132 176.3456 180 F 5.1153 8.1566 116.0747 54.6607 39.0545 173.5785 181 P 4.4299 0.0000 0.0000 65.3562 31.6479 178.6119 182 A 4.0478 8.0133 120.1852 54.8260 18.4999 179.1945 183 L 4.1007 8.0966 118.4812 58.3678 41.9932 178.8162 184 S 4.1645 8.3858 112.7693 61.6045 62.3242 175.4744 185 H 4.1779 7.6237 119.2313 59.1069 29.9861 176.7548 186 F 4.4960 8.1284 117.6343 58.2349 39.1644 177.5390 187 A 4.0344 7.9815 121.7265 55.4936 17.9679 179.5757 188 R 3.9112 8.0655 114.8759 59.1840 30.1623 177.3811 189 E 4.5002 8.2033 115.8335 55.5033 30.2656 175.9403 190 I 4.1735 7.2946 121.8090 60.1508 37.9366 175.8378 191 R 4.5357 8.3096 124.4880 54.5842 31.3414 174.7437 192 P 4.4016 0.0000 0.0000 62.1678 31.9618 177.3987 193 L 3.8981 8.6266 122.8556 58.0636 41.8506 178.1622 194 G 3.8733 7.9434 104.1368 45.2513 0.0000 173.4016 195 A 4.2617 7.8054 123.1026 52.4512 19.6545 176.5955 196 D 4.4722 8.7373 117.0573 55.4552 39.9142 176.4820 197 R 4.1226 8.2124 118.4775 58.7769 30.1767 178.5020 198 G 3.5841 8.0887 104.8890 47.7965 0.0000 175.4079 199 A 4.0484 8.0617 123.0708 54.7984 18.3939 179.4312 200 A 3.9761 7.9833 118.8338 55.0200 18.3371 179.4273 201 F 4.0937 8.6976 119.6888 61.8102 39.3788 177.3272 202 E 3.9326 8.3292 117.8504 59.4416 29.2307 179.3156 203 E 3.9529 8.2802 118.7041 59.2830 29.5178 179.4904 204 I 3.6437 7.9022 120.0172 64.1214 37.1106 178.1173 205 L 3.7103 7.8460 121.1375 58.1953 41.8930 178.6564 206 A 3.8874 8.1617 120.6507 55.3691 18.1728 179.5319 207 A 3.9326 8.0225 119.0964 55.3877 18.4326 179.4134 208 H 4.0528 8.1368 116.8247 59.4967 29.9325 177.5945 209 L 4.1205 8.3410 120.9060 57.6319 41.3657 179.3872 210 A 3.9847 8.1670 120.9870 55.2718 18.3186 179.0474 211 H 4.1035 8.2514 116.7925 59.4992 29.6962 177.4926 212 L 3.8771 7.7099 119.5385 57.6729 41.6753 178.7481 213 E 4.4130 8.8791 119.4800 59.5065 29.4175 178.8417 214 A 4.0533 8.0059 119.3242 54.8500 18.5029 178.9474 215 A 4.0830 7.8365 117.6924 53.0576 19.1004 177.8051 216 A 4.1646 6.9703 120.4139 50.8126 19.3897 175.7735 217 P 4.4110 0.0000 0.0000 63.0527 31.4969 176.3557 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 6 R 8.25 4.26 0.00 1.73 1.83 0.00 2.98 0.00 0.00 3.06 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.57 0.00 7 W 7.61 4.56 0.00 3.38 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 9.96 4.68 0.00 4.12 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.53 3.85 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 1.19 0.00 0.00 10 E 8.28 3.98 0.00 2.07 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 2.42 2.44 0.00 11 Q 8.24 4.03 0.00 2.54 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 12 I 8.05 3.59 2.22 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 1.55 0.80 1.00 0.00 0.00 13 L 8.20 3.98 0.00 1.75 1.72 1.12 0.82 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 14 D 8.60 4.29 0.00 2.81 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 15 A 8.33 3.88 1.16 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 0.00 0.00 16 A 8.18 4.09 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 17 A 8.23 3.87 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.00 3.89 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 2.31 2.52 0.00 19 L 7.70 4.16 0.00 2.00 1.86 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.76 4.12 0.00 1.71 1.62 0.66 0.60 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 21 L 7.45 4.06 0.00 1.67 1.56 0.87 0.59 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 22 A 8.25 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 23 G 8.62 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.80 4.23 0.00 2.64 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 25 A 7.97 3.80 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.06 4.15 0.00 2.11 1.89 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 2.28 2.34 0.00 27 T 8.25 3.98 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 1.26 0.00 0.00 28 F 8.88 4.29 0.00 2.98 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 29 S 7.22 4.29 0.00 3.87 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 30 V 8.05 3.31 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 0.99 0.00 0.00 1.15 0.00 0.00 31 R 7.75 3.84 0.00 1.82 1.90 0.00 3.20 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 32 K 7.93 3.84 0.00 1.73 1.75 0.00 1.62 0.00 0.00 1.52 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.33 7.81 33 L 7.72 3.80 0.00 1.60 1.69 0.92 0.99 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 34 A 8.47 3.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.13 3.90 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 36 S 8.09 4.08 0.00 3.80 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 37 L 7.84 4.29 0.00 1.78 1.56 0.65 -0.64 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 38 G 8.07 4.17 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 0.00 0.00 0.00 39 T 8.15 4.75 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 1.34 0.00 0.00 40 D 8.30 4.91 0.00 2.80 2.67 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 41 S 8.43 3.70 0.00 3.61 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 42 S 7.85 4.05 0.00 4.02 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 0.00 43 S 8.45 4.16 0.00 4.05 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.55 4.15 0.00 1.64 1.81 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 7.89 4.70 0.00 3.20 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.38 4.05 0.00 2.07 2.04 0.00 3.19 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 47 H 8.40 4.07 0.00 3.33 3.77 0.00 5.93 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.01 4.44 0.00 3.26 3.21 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 49 R 8.99 4.46 0.00 2.10 2.22 0.00 3.17 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 50 N 7.49 5.09 0.00 2.89 2.87 0.00 0.00 5.68 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.33 3.45 0.00 0.79 1.47 0.00 1.16 0.00 0.00 1.51 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2.56 2.57 0.00 121 A 8.14 4.15 1.58 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 0.00 0.00 122 L 8.52 3.97 0.00 1.85 1.70 1.09 0.86 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 0.00 123 R 8.45 3.83 0.00 1.96 1.94 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 124 A 7.99 4.07 1.44 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 0.00 125 S 6.86 2.79 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 7.53 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 0.00 0.00 0.00 127 L 7.01 4.03 0.00 1.53 1.52 0.75 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.30 0.00 2.14 1.94 0.00 3.72 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 2.23 2.04 0.00 129 D 8.86 4.36 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 0.00 130 D 8.01 4.42 0.00 2.84 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 0.00 131 E 8.24 4.28 0.00 2.19 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 2.32 0.00 132 I 7.42 3.71 2.00 0.00 0.00 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 1.48 0.64 0.93 0.00 0.00 133 P 0.00 4.33 0.00 2.17 2.11 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 134 A 7.96 4.03 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 0.00 135 R 8.36 3.92 0.00 2.01 2.06 0.00 3.33 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 1.93 1.78 0.00 136 Y 8.55 4.05 0.00 3.10 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 0.00 137 H 8.56 3.99 0.00 3.48 3.53 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.15 3.81 0.00 2.08 1.98 0.00 3.32 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 139 L 7.90 3.75 0.00 1.84 1.77 0.91 0.82 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 0.00 140 V 7.67 3.45 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 0.89 0.00 0.00 0.44 0.00 0.00 141 I 7.59 3.38 1.85 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 1.14 0.22 0.75 0.00 0.00 142 L 7.79 3.80 0.00 1.53 1.64 0.82 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.71 3.79 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.61 1.28 0.00 0.00 144 S 8.13 4.05 0.00 3.10 2.64 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 0.00 145 S 8.11 4.00 0.00 3.98 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 0.00 146 L 8.07 4.05 0.00 2.14 2.05 0.82 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.87 3.71 1.94 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.72 0.91 0.00 0.00 148 T 8.08 3.83 4.35 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 1.16 0.00 0.00 149 A 8.02 4.14 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 0.00 150 E 8.03 4.14 0.00 2.10 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 2.30 2.31 0.00 151 G 7.72 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 0.00 152 G 8.34 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 0.00 0.00 0.00 *168 F 8.44 4.93 0.00 3.19 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 0.00 169 R 7.49 4.49 0.00 1.37 1.57 0.00 2.76 0.00 0.00 2.91 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 170 V 7.77 4.68 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.92 0.00 0.00 171 A 8.54 4.14 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.26 4.48 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 0.71 0.00 0.00 0.93 0.00 0.00 173 L 8.42 4.14 0.00 1.62 1.63 0.91 0.89 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 0.00 174 G 8.32 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.04 4.48 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 9.03 4.41 0.00 2.86 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 0.00 177 P 0.00 4.62 0.00 2.26 2.31 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 178 E 8.42 3.92 0.00 2.10 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 2.28 2.32 0.00 179 R 7.42 3.85 0.00 1.47 0.68 0.00 2.99 0.00 0.00 2.83 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.20 0.00 180 F 8.16 5.12 0.00 3.12 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 0.00 181 P 0.00 4.43 0.00 2.27 2.40 0.00 3.97 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.90 0.00 182 A 8.01 4.05 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 4.10 0.00 1.85 1.80 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 184 S 8.39 4.16 0.00 4.14 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 H 7.62 4.18 0.00 3.04 3.16 0.00 5.80 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 F 8.13 4.50 0.00 3.21 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 0.00 187 A 7.98 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 R 8.07 3.91 0.00 1.80 2.00 0.00 3.30 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 189 E 8.20 4.50 0.00 2.21 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 2.35 2.39 0.00 190 I 7.29 4.17 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.02 0.89 0.00 0.00 191 R 8.31 4.54 0.00 1.82 1.90 0.00 3.48 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 192 P 0.00 4.40 0.00 2.14 1.92 0.00 3.61 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 193 L 8.63 3.90 0.00 1.58 1.71 0.90 1.00 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 0.00 194 G 7.94 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 0.00 0.00 0.00 195 A 7.81 4.26 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 0.00 196 D 8.74 4.47 0.00 2.96 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 0.00 197 R 8.21 4.12 0.00 1.97 1.99 0.00 3.37 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.65 0.00 198 G 8.09 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 A 8.06 4.05 1.44 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 0.00 200 A 7.98 3.98 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 0.00 201 F 8.70 4.09 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 0.00 202 E 8.33 3.93 0.00 2.27 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 2.48 2.70 0.00 203 E 8.28 3.95 0.00 2.11 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 2.32 2.35 0.00 204 I 7.90 3.64 1.85 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 1.38 0.61 0.84 0.00 0.00 205 L 7.85 3.71 0.00 1.20 1.54 0.80 1.34 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 0.00 206 A 8.16 3.89 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 A 8.02 3.93 1.37 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 0.00 0.00 208 H 8.14 4.05 0.00 3.25 3.45 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 L 8.34 4.12 0.00 1.75 1.51 0.80 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 210 A 8.17 3.98 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 0.00 211 H 8.25 4.10 0.00 3.25 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 L 7.71 3.88 0.00 2.20 1.86 1.14 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 213 E 8.88 4.41 0.00 2.37 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 214 A 8.01 4.05 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 0.00 215 A 7.84 4.08 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 0.00 216 A 6.97 4.16 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 P 0.00 4.41 0.00 2.17 2.02 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.