NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1361 8.0201 121.4538 61.2155 38.7788 174.4857 2 A 4.6559 8.1886 127.7025 48.1143 21.1807 172.4413 3 V 3.8329 8.3527 121.0034 64.3575 32.3350 175.6808 4 D 4.8160 8.1891 117.1930 52.8380 39.7020 176.0851 5 G 4.0492 8.2412 110.7824 43.2598 0.0000 173.0352 6 P 3.9371 0.0000 0.0000 65.0795 31.0981 177.6483 7 F 4.7806 7.9687 113.1640 57.0473 39.6474 176.3477 8 G 4.0553 8.0567 110.3667 43.8288 0.0000 175.2233 9 T 3.9485 8.4992 117.8943 66.5003 68.4404 176.8095 10 A 4.3299 7.9752 122.1227 55.3210 18.4963 179.4756 11 S 4.0771 8.0768 111.1713 61.5191 62.3217 176.0520 12 E 4.0688 8.1375 120.3375 59.5272 29.5414 178.7225 13 D 4.7149 8.5170 119.1180 57.5007 40.8516 178.9389 14 V 3.5357 8.0584 118.8453 65.9852 31.3270 177.3006 15 F 4.2482 8.2733 117.5809 59.3905 39.4260 176.1321 16 S 4.4452 8.0987 112.0913 59.2020 63.9512 173.2937 17 Y 4.7570 7.1662 121.1136 56.1905 40.3522 176.2023 18 E 4.7109 8.7995 123.4590 58.2637 31.2049 176.6189 19 V 5.0880 7.8520 117.6448 61.2563 35.4138 174.7566 20 V 5.1912 8.8381 118.4619 60.0621 36.8191 174.2645 21 M 5.3227 9.3482 122.3812 53.8921 34.9336 174.6592 22 L 5.0181 9.1917 124.9931 52.7618 44.5943 175.7991 23 V 4.3869 8.4644 124.0253 60.7896 34.4557 174.3421 24 G 4.5106 8.5771 114.6659 44.3311 0.0000 171.0025 25 A 5.3210 8.7893 127.4627 50.0755 21.9689 176.0872 26 G 3.8235 9.1125 110.5111 46.7983 0.0000 177.1723 27 I 3.6418 8.3916 118.0438 62.4533 37.3021 177.2727 28 G 3.7332 7.9931 107.3752 46.3661 0.0000 175.3395 29 V 3.6083 7.1528 121.6389 64.2338 31.4932 178.3307 30 T 4.0421 7.4431 116.8165 66.4963 68.4671 174.5194 31 P 4.2927 0.0000 0.0000 65.4604 31.2623 178.6582 32 F 4.2555 7.5970 116.1949 59.7646 38.7976 177.5505 33 A 4.1966 7.8760 120.9075 55.4560 17.7851 179.6495 34 S 4.1337 8.0859 111.1470 61.4055 62.4436 176.2214 35 I 3.8729 7.6569 123.7607 63.8916 36.8948 178.3961 36 L 4.1058 8.6988 122.6912 58.2183 41.3328 180.4010 37 K 4.1707 8.0433 123.4324 59.9115 31.2612 181.3611 38 S 4.3455 8.3365 116.1494 61.2909 62.7725 176.7806 39 V 3.9185 8.3687 122.2723 65.5400 31.4136 177.8615 40 W 4.7563 8.7114 128.3362 60.6060 30.5355 177.4050 41 Y 3.6905 8.3688 119.7121 60.5365 38.1867 178.0728 42 K 3.9181 8.4495 119.7480 59.7140 31.9001 178.4951 43 Y 3.8944 8.1342 118.5734 61.0308 38.7193 177.7005 44 C 3.9780 7.3144 115.4306 61.0518 28.4131 174.0610 45 N 4.6994 7.3860 114.6077 52.6228 40.4120 175.0006 46 N 4.5548 8.5592 118.5850 51.2366 37.1823 175.2466 47 A 3.8985 8.0897 124.5342 55.2413 18.9328 179.5316 48 T 3.9038 7.8490 108.5004 64.1058 67.5793 173.2465 49 N 4.9898 7.9729 118.8998 52.3352 41.0514 173.4044 50 L 4.8620 8.6502 127.6836 55.0841 43.4029 178.8636 51 K 4.0251 8.4390 121.6222 57.5184 31.7329 180.0624 52 L 4.9136 6.8393 120.5442 54.4795 42.1619 176.2879 53 K 4.8518 9.0704 125.0419 56.4982 35.0998 176.5360 54 K 4.7911 8.0205 120.3929 54.8677 35.9845 174.6672 55 I 4.8403 8.4730 127.7280 59.6182 40.6067 173.9544 56 Y 4.8160 9.1332 125.2954 56.4230 39.9753 174.2813 57 F 5.0997 9.3965 127.9918 56.5429 42.0552 173.9130 58 Y 5.1453 8.3038 123.3984 55.9150 41.0545 174.2515 59 W 5.3436 9.5763 135.0000 55.8007 33.4183 174.3413 60 L 5.0562 9.0112 128.9498 53.7590 42.5412 175.4056 61 C 5.0521 9.1275 124.8610 57.9409 34.3817 173.9470 62 R 4.0652 8.9288 123.0321 57.5202 31.3347 175.9783 63 D 4.7343 7.8610 120.1219 52.6541 41.5884 176.8901 64 T 3.9624 8.3806 117.8619 64.3392 69.6465 175.3984 65 H 4.3930 8.4601 121.6517 58.4630 30.4097 176.4718 66 A 3.8582 8.4797 121.8843 54.6760 18.2903 178.0304 67 F 4.9573 7.4964 111.3736 56.4772 40.2372 177.2172 68 E 4.1184 8.4557 123.9942 59.3713 29.3777 177.6448 69 W 4.3102 8.2848 116.2352 59.4778 28.1756 177.9900 70 F 3.3338 7.0901 121.4339 60.5199 38.5699 177.0446 71 A 3.9153 7.8393 120.0861 55.2069 18.2020 179.1964 72 D 4.2690 7.9244 116.9792 57.1890 40.7614 178.7704 73 L 3.7923 7.5546 120.9954 57.9393 41.9819 178.9649 74 L 3.3520 7.0689 118.7906 57.6957 41.3904 179.5863 75 Q 4.0643 7.7618 117.8419 58.6683 28.5288 178.4603 76 L 3.8410 7.9317 121.4981 58.1855 42.0553 178.9567 77 L 3.5656 7.8941 119.0726 57.6873 41.5454 179.0714 78 E 3.7244 8.1754 119.4293 59.2538 29.5290 178.8527 79 S 4.0077 8.3160 113.3233 61.5969 62.4907 176.0279 80 Q 4.2168 8.1215 120.8995 59.3799 28.4435 179.0081 81 M 3.8951 7.9852 122.2723 59.0250 31.7157 179.4990 82 Q 4.0716 7.9003 119.7232 60.3292 28.6049 179.8503 83 E 4.3911 8.4213 122.5573 59.8158 29.5015 180.1106 84 R 4.5999 8.5829 122.7463 59.2822 31.3497 178.4389 85 N 4.5235 8.6588 112.1472 53.6390 35.3642 177.5628 86 N 4.9373 8.3288 113.1289 54.5389 40.8468 173.3432 87 A 4.2557 7.9970 119.8406 52.9451 18.8291 178.4775 88 G 4.0761 8.8816 109.9605 45.6242 0.0000 174.9701 89 F 4.4199 8.5516 122.5534 60.2299 39.5709 174.3311 90 L 4.8310 7.5697 121.2478 53.0380 44.2643 175.7402 91 S 4.8522 8.8654 122.3272 56.7165 66.0967 172.6771 92 Y 5.3864 8.9459 122.3182 55.2499 41.6108 173.9589 93 N 4.9868 9.3753 118.8610 51.5495 42.3735 173.2075 94 I 4.8940 7.8365 123.9923 59.7221 40.1015 174.0963 95 Y 4.8153 9.2103 124.9618 56.1304 40.6750 175.0913 96 L 4.7616 8.7211 126.5785 53.8662 41.9261 177.1916 97 T 4.2740 8.9647 114.9511 61.6962 69.4063 177.0876 98 G 3.4835 8.1813 111.9227 48.0204 0.0000 174.1613 99 W 4.7508 7.6204 117.1583 58.4776 30.8978 177.8286 *123 Q 3.9314 7.7131 115.7835 56.0878 29.1109 176.0982 124 K 4.2403 7.4301 120.8994 55.4744 33.8807 178.6220 125 T 4.6260 8.1515 116.9645 62.4949 70.0324 174.2663 126 L 4.7179 8.4877 126.0670 53.0600 45.3746 174.8111 127 Y 4.6905 8.4190 118.7286 57.8439 39.5338 175.0243 128 G 3.8865 8.9263 109.8576 44.4343 0.0000 172.7542 129 R 4.5017 8.1322 116.7525 53.3993 32.6346 174.2457 130 P 4.0426 0.0000 0.0000 62.2712 32.2043 176.6179 131 N 4.4935 7.9245 117.5869 51.8455 38.5798 174.9523 132 W 4.4229 8.2753 128.4269 59.7321 29.3992 177.4548 133 D 4.3457 8.2861 117.3750 57.5404 40.7004 178.0174 134 N 4.4012 8.7090 116.9981 56.2410 38.4915 177.3041 135 E 3.9889 8.2694 119.9360 59.5806 29.6114 179.4014 136 F 3.7256 8.7476 118.0920 60.2978 38.8074 177.9303 137 K 4.0641 8.1209 117.7383 59.7548 31.6714 179.4043 138 T 3.8802 7.7709 114.4873 66.8590 68.7866 176.3259 139 I 3.7056 7.8980 121.3366 64.2046 37.0765 178.2558 140 A 4.1262 8.7343 122.2252 55.4368 18.1308 179.9483 141 S 4.2073 8.3757 111.2559 61.1830 63.0616 175.8253 142 Q 4.3274 7.6861 119.4185 56.5595 30.1757 175.6599 143 H 4.9389 7.8087 116.4015 53.2061 29.3976 171.2936 144 P 4.3019 0.0000 0.0000 63.2913 32.6709 176.2289 145 N 4.3988 8.5142 115.7819 53.9152 37.8784 174.2511 146 T 4.7094 7.2232 112.5982 61.8530 73.6530 174.6750 147 R 4.7207 8.7587 126.0439 55.3997 31.0814 175.2702 148 I 4.5142 9.0296 129.8901 59.6704 39.1408 175.3771 149 G 2.9983 8.4197 115.4545 45.0482 0.0000 172.3253 150 V 4.8737 8.0119 125.1084 61.0122 33.9449 174.4438 151 F 4.8720 9.2989 125.8595 55.7371 43.1543 173.6628 152 L 5.2562 8.4700 121.7409 54.2286 45.6026 175.2261 153 C 4.7114 9.3195 125.1226 59.0274 33.9701 172.7820 154 G 4.2433 8.4879 111.9664 45.4924 0.0000 168.7638 155 P 4.3678 0.0000 0.0000 63.6632 31.7625 178.0862 156 E 3.9936 8.8993 120.5757 61.0190 29.7650 178.4806 157 A 4.2681 7.8846 119.5328 55.5365 18.5794 179.1705 158 L 3.8271 8.0597 118.1135 58.2966 41.8689 178.9406 159 A 4.0522 7.7923 123.0847 55.5578 18.2189 179.9775 160 E 3.7349 8.0148 116.7277 61.5345 29.7563 181.1418 161 T 3.9002 7.7348 116.4855 66.5291 68.5700 176.3896 162 L 3.6763 7.7570 120.6185 57.7462 41.6267 179.7609 163 S 3.9609 8.1237 117.5945 62.0677 62.7516 177.4541 164 K 3.7922 8.0305 126.4165 59.9617 31.4587 180.8969 165 Q 3.9880 7.7848 121.2285 57.9422 28.1896 179.0540 166 S 4.0343 7.6618 115.0820 61.7536 63.2487 176.7800 167 I 3.8869 7.6168 122.2486 64.5088 37.0125 178.7530 168 S 4.1732 8.3852 115.2203 60.8526 62.3916 175.1181 169 N 4.8414 7.8181 117.5458 52.4440 39.1824 175.2159 170 S 4.9221 7.4085 117.1103 57.8064 64.2727 173.1677 171 E 4.7110 8.8642 123.3335 54.6368 32.0256 176.7362 172 S 4.5655 8.7909 120.5305 59.4504 63.6293 174.9015 173 G 3.8513 8.0456 110.8005 44.3190 0.0000 172.9854 174 P 4.2301 0.0000 0.0000 65.1356 31.2766 177.3728 175 R 4.4523 7.8818 115.3390 55.4048 30.8552 175.9445 176 G 4.1025 8.0197 106.9957 46.0608 0.0000 172.9259 177 V 4.4902 8.2272 120.5544 61.2760 34.4522 174.1619 178 H 5.1075 8.7933 123.1053 54.1513 31.7121 172.8222 179 F 4.8716 9.6586 123.9552 56.2820 39.8998 176.1746 180 I 4.3126 8.7927 127.4057 59.3832 38.2063 175.1705 181 F 4.3084 8.7840 130.6516 58.0560 39.8789 174.0089 182 N 4.8354 7.9457 125.1229 51.3462 39.4705 175.2234 183 K 4.4224 8.7875 125.7090 56.2396 33.1598 175.8014 184 E 4.5454 8.3473 123.8776 54.8369 33.2146 176.1446 185 N 4.5784 8.1179 121.5219 52.0278 37.3499 175.2910 186 F 4.5159 7.7596 119.6470 57.5974 39.0703 175.6640 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 I 8.02 4.14 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.05 1.00 0.00 0.00 2 A 8.19 4.66 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 3 V 8.35 3.83 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 0.99 0.00 0.00 0.87 0.00 0.00 4 D 8.19 4.82 0.00 2.95 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 5 G 8.24 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 0.00 0.00 0.00 6 P 0.00 3.94 0.00 1.57 1.69 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.98 0.00 7 F 7.97 4.78 0.00 3.01 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 8 G 8.06 4.06 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 0.00 0.00 0.00 9 T 8.50 3.95 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 1.29 0.00 0.00 10 A 7.98 4.33 1.46 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 11 S 8.08 4.08 0.00 4.00 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 12 E 8.14 4.07 0.00 2.24 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 0.00 2.41 2.41 0.00 13 D 8.52 4.71 0.00 3.21 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 14 V 8.06 3.54 2.21 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 0.98 0.00 0.00 0.12 0.00 0.00 15 F 8.27 4.25 0.00 3.32 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 16 S 8.10 4.45 0.00 3.93 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 17 Y 7.17 4.76 0.00 3.18 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 18 E 8.80 4.71 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 2.43 2.19 0.00 19 V 7.85 5.09 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 1.15 0.00 0.00 0.90 0.00 0.00 20 V 8.84 5.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.02 0.00 0.00 21 M 9.35 5.32 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 22 L 9.19 5.02 0.00 1.37 0.98 1.10 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.46 4.39 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.75 0.00 0.00 24 G 8.58 4.51 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 0.00 0.00 0.00 25 A 8.79 5.32 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 26 G 9.11 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 27 I 8.39 3.64 2.00 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 1.64 0.74 1.26 0.00 0.00 28 G 7.99 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 0.00 0.00 0.00 29 V 7.15 3.61 1.41 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 -0.30 0.00 0.00 -1.28 0.00 0.00 30 T 7.44 4.04 4.28 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 1.33 0.00 0.00 31 P 0.00 4.29 0.00 0.86 1.55 0.00 3.38 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.93 0.00 32 F 7.60 4.26 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 33 A 7.88 4.20 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.09 4.13 0.00 3.92 4.06 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 35 I 7.66 3.87 2.10 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 1.57 1.18 1.01 0.00 0.00 36 L 8.70 4.11 0.00 1.64 1.61 0.40 0.87 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 37 K 8.04 4.17 0.00 1.79 1.82 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 38 S 8.34 4.35 0.00 3.97 4.18 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 39 V 8.37 3.92 2.42 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 1.51 0.00 0.00 1.19 0.00 0.00 40 W 8.71 4.76 0.00 3.57 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 41 Y 8.37 3.69 0.00 3.12 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 42 K 8.45 3.92 0.00 1.76 1.28 0.00 1.12 0.00 0.00 0.72 0.00 0.00 2.56 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.59 7.81 43 Y 8.13 3.89 0.00 3.29 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 44 C 7.31 3.98 0.00 2.49 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.39 4.70 0.00 2.00 2.50 0.00 0.00 6.99 8.16 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 46 N 8.56 4.55 0.00 2.68 2.65 0.00 0.00 6.70 6.93 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 47 A 8.09 3.90 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 48 T 7.85 3.90 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 49 N 7.97 4.99 0.00 2.67 2.75 0.00 0.00 6.95 8.42 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 50 L 8.65 4.86 0.00 1.61 1.54 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.44 4.03 0.00 1.69 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.26 7.81 52 L 6.84 4.91 0.00 0.50 1.30 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 53 K 9.07 4.85 0.00 1.78 1.91 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.64 1.54 7.81 54 K 8.02 4.79 0.00 1.85 1.57 0.00 1.48 0.00 0.00 1.72 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 0.96 7.81 55 I 8.47 4.84 1.41 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.09 0.86 0.00 0.00 56 Y 9.13 4.82 0.00 3.18 2.94 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 57 F 9.40 5.10 0.00 3.06 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 58 Y 8.30 5.15 0.00 2.94 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 59 W 9.58 5.34 0.00 3.88 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.01 5.06 0.00 1.78 1.67 1.06 0.68 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 61 C 9.13 5.05 0.00 1.74 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 0.00 0.00 0.00 62 R 8.93 4.07 0.00 1.87 1.94 0.00 3.30 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 63 D 7.86 4.73 0.00 2.71 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 64 T 8.38 3.96 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 65 H 8.46 4.39 0.00 3.24 3.47 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.48 3.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.50 4.96 0.00 3.44 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 68 E 8.46 4.12 0.00 2.26 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 2.38 2.54 0.00 69 W 8.28 4.31 0.00 3.71 3.38 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 70 F 7.09 3.33 0.00 1.51 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 0.00 0.00 0.00 71 A 7.84 3.92 1.59 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 72 D 7.92 4.27 0.00 2.90 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 73 L 7.55 3.79 0.00 1.80 1.34 0.87 0.79 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 74 L 7.07 3.35 0.00 1.25 0.67 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.76 4.06 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 76 L 7.93 3.84 0.00 1.75 1.76 0.92 0.94 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 77 L 7.89 3.57 0.00 1.52 1.29 0.64 0.53 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 78 E 8.18 3.72 0.00 2.18 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 0.00 2.27 2.32 0.00 79 S 8.32 4.01 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 80 Q 8.12 4.22 0.00 1.96 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.69 0.00 81 M 7.99 3.90 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.49 0.00 82 Q 7.90 4.07 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 83 E 8.42 4.39 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 84 R 8.58 4.60 0.00 1.91 1.80 0.00 3.38 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 85 N 8.66 4.52 0.00 2.95 2.82 0.00 0.00 6.57 7.62 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 86 N 8.33 4.94 0.00 3.17 2.99 0.00 0.00 7.16 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 87 A 8.00 4.26 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 88 G 8.88 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 0.00 0.00 0.00 89 F 8.55 4.42 0.00 2.91 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 90 L 7.57 4.83 0.00 1.18 1.26 0.77 0.60 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 91 S 8.87 4.85 0.00 3.49 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 92 Y 8.95 5.39 0.00 3.03 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 93 N 9.38 4.99 0.00 2.56 2.48 0.00 0.00 6.84 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.82 0.00 0.00 126 L 8.49 4.72 0.00 1.03 1.43 0.78 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 8.42 4.69 0.00 2.94 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 0.00 128 G 8.93 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 0.00 129 R 8.13 4.50 0.00 1.74 1.70 0.00 3.24 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 130 P 0.00 4.04 0.00 0.89 0.49 0.00 3.15 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 131 N 7.92 4.49 0.00 2.71 2.77 0.00 0.00 6.87 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 0.00 132 W 8.28 4.42 0.00 3.41 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 0.00 133 D 8.29 4.35 0.00 2.79 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 0.00 134 N 8.71 4.40 0.00 3.00 2.86 0.00 0.00 7.06 7.26 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 0.00 135 E 8.27 3.99 0.00 2.20 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 1.99 0.00 136 F 8.75 3.73 0.00 2.90 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 0.00 137 K 8.12 4.06 0.00 2.04 1.91 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.26 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.88 7.81 138 T 7.77 3.88 4.40 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 1.26 0.00 0.00 139 I 7.90 3.71 1.87 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.79 0.78 0.00 0.00 140 A 8.73 4.13 1.69 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 0.00 0.00 141 S 8.38 4.21 0.00 4.04 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 0.00 142 Q 7.69 4.33 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.29 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 143 H 7.81 4.94 0.00 3.11 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.96 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 4.30 0.00 2.19 2.07 0.00 3.92 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 145 N 8.51 4.40 0.00 2.80 2.86 0.00 0.00 6.91 7.46 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 0.00 146 T 7.22 4.71 4.40 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 1.23 0.00 0.00 147 R 8.76 4.72 0.00 1.90 1.99 0.00 3.26 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.80 0.00 148 I 9.03 4.51 1.50 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.18 0.99 0.00 0.00 149 G 8.42 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 0.00 0.00 0.00 150 V 8.01 4.87 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 0.79 0.00 0.00 1.07 0.00 0.00 151 F 9.30 4.87 0.00 3.11 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.47 5.26 0.00 1.56 1.61 1.00 0.98 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 0.00 153 C 9.32 4.71 0.00 2.54 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 0.00 154 G 8.49 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 0.00 155 P 0.00 4.37 0.00 2.22 2.05 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 156 E 8.90 3.99 0.00 2.06 1.88 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 2.23 1.96 0.00 157 A 7.88 4.27 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 0.00 158 L 8.06 3.83 0.00 1.78 1.89 0.82 1.05 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 0.00 159 A 7.79 4.05 1.29 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 0.00 0.00 160 E 8.01 3.73 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 161 T 7.73 3.90 4.16 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 1.06 0.00 0.00 162 L 7.76 3.68 0.00 1.85 1.87 0.74 -0.09 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 0.00 163 S 8.12 3.96 0.00 3.77 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 0.00 164 K 8.03 3.79 0.00 1.73 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.36 7.81 165 Q 7.78 3.99 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.73 0.00 0.00 0.00 0.00 0.00 2.18 2.00 0.00 166 S 7.66 4.03 0.00 3.97 4.34 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 0.00 167 I 7.62 3.89 1.92 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 1.57 0.80 0.89 0.00 0.00 168 S 8.39 4.17 0.00 3.92 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 0.00 169 N 7.82 4.84 0.00 2.57 3.01 0.00 0.00 7.01 6.93 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 0.00 170 S 7.41 4.92 0.00 4.13 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 0.00 171 E 8.86 4.71 0.00 2.00 1.72 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 2.20 2.41 0.00 172 S 8.79 4.57 0.00 3.93 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 0.00 173 G 8.05 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 0.00 174 P 0.00 4.23 0.00 2.20 2.23 0.00 3.75 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 2.00 2.01 0.00 175 R 7.88 4.45 0.00 1.89 1.97 0.00 3.15 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 176 G 8.02 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 0.00 0.00 0.00 177 V 8.23 4.49 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 0.56 0.00 0.00 0.99 0.00 0.00 178 H 8.79 5.11 0.00 3.07 3.17 0.00 5.65 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 F 9.66 4.87 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 0.00 180 I 8.79 4.31 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.18 1.02 0.00 0.00 181 F 8.78 4.31 0.00 3.02 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 0.00 182 N 7.95 4.84 0.00 1.44 2.75 0.00 0.00 7.03 7.39 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 0.00 183 K 8.79 4.42 0.00 1.79 1.75 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.54 7.81 184 E 8.35 4.55 0.00 1.16 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 2.52 2.45 0.00 185 N 8.12 4.58 0.00 2.63 2.73 0.00 0.00 7.06 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 F 7.76 4.52 0.00 3.07 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 * Residues marked with a * may have inaccurate shift predictions.