NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.3638 0.0000 0.0000 61.8586 32.9642 175.8554 5 V 3.7014 8.0560 121.8426 62.3906 33.1147 173.3689 6 K 4.5660 8.5690 125.0925 54.5522 34.2053 173.5340 7 L 4.8501 8.4398 127.1166 53.3394 42.6116 173.9576 8 A 5.0189 8.8913 127.5836 51.5376 20.1233 175.9385 9 I 4.7104 9.5153 124.6793 59.8305 39.6016 175.2722 10 V 4.7709 9.2437 129.7535 61.2519 32.6344 174.0665 11 F 5.2989 8.7070 123.5718 55.0739 40.5702 173.7840 12 Y 4.6468 8.3107 122.3064 56.0850 40.5967 175.0354 13 S 4.1872 6.9138 119.3372 56.8749 65.3092 173.3118 14 S 3.8684 7.9336 123.6266 59.5930 63.5445 176.2118 15 T 4.8731 7.2573 111.8374 60.6502 69.7559 174.2354 16 G 4.3940 7.9618 113.3464 47.2665 0.0000 177.1646 17 T 3.8738 7.7212 108.6901 64.0778 69.1869 175.9112 18 G 3.7169 8.1778 110.4055 48.6952 0.0000 173.8359 19 Y 3.5068 8.2150 121.4013 60.1085 38.8575 177.9388 20 A 3.4625 7.7517 118.3518 53.4810 18.6689 178.5049 *22 A 4.1727 7.9873 122.3535 53.1781 20.8329 179.9596 23 Q 3.7919 7.7946 114.7192 59.1169 28.7446 178.2873 24 E 3.8449 7.6809 120.1455 59.4197 29.5149 178.8207 25 A 3.9572 7.8785 119.9057 55.1026 18.5737 179.3032 26 A 4.0309 7.7983 118.7620 55.2316 18.3737 179.7238 27 E 3.9602 8.1495 116.6593 59.1058 29.5723 178.9784 28 A 4.0842 8.0107 121.1064 55.3984 18.4562 180.0415 29 G 3.6600 8.1261 104.0680 47.6556 0.0000 176.0797 30 R 3.8643 8.0611 120.7257 59.3638 29.9958 178.3564 31 A 3.9831 8.2665 119.3655 55.2395 18.3534 179.1773 32 A 4.1698 8.1884 119.1094 55.3012 18.4597 178.1356 33 G 4.0138 7.1243 105.0572 45.4003 0.0000 173.1949 34 A 4.6525 8.3587 121.6204 50.0910 20.3307 178.4085 35 E 4.2107 9.0740 122.7253 56.3993 29.4075 176.2330 36 V 4.2867 8.2880 126.0246 62.5965 33.2135 175.5681 37 R 4.4888 8.9854 123.7594 54.3901 33.7608 174.4470 38 L 4.7352 8.7477 127.6299 54.5448 42.6639 175.6465 39 L 5.0768 9.2590 127.6022 52.6914 44.8945 176.0630 40 K 3.7287 8.0033 122.3339 55.2040 34.6741 176.3981 41 V 3.6792 7.6220 122.5940 62.2015 32.4243 175.8602 42 R 3.8118 8.2540 125.9704 56.2014 30.3926 176.1696 43 E 4.3590 8.7286 126.4454 56.3217 28.5548 175.9354 44 T 4.2670 8.2541 115.7757 61.7237 69.9322 175.4133 45 A 4.1707 8.4507 126.8509 51.3305 19.1265 175.6377 46 P 4.2949 0.0000 0.0000 62.4805 32.0052 177.5221 47 Q 4.0330 8.5868 123.0861 58.3148 28.7942 177.5942 48 D 4.4478 8.0318 118.7050 55.3316 39.4638 177.1250 49 V 4.2397 7.6607 117.8122 62.4279 32.6614 176.3974 50 I 2.8800 7.0656 118.9823 64.6238 37.1403 177.3825 51 D 4.4127 7.2607 118.8859 56.7117 39.2569 178.8611 52 G 3.6077 8.0327 108.5477 46.7683 0.0000 173.2695 53 Q 4.4939 8.2747 122.0820 54.7810 30.1023 175.7390 54 D 4.3266 8.6648 128.0399 57.5127 40.9678 178.4336 55 A 4.1697 8.0585 119.4921 54.8457 18.6215 179.1327 56 W 4.7462 8.1606 127.7037 60.1491 30.5211 177.8093 57 K 3.8195 8.2345 119.3230 59.7135 31.5835 178.6260 58 A 4.1152 8.6790 121.0603 54.9496 18.0458 179.1179 59 N 4.3785 8.1998 115.9820 56.8120 38.8246 177.2975 60 I 3.8208 7.7601 120.1081 64.0092 37.2915 177.3995 61 E 4.0811 7.6858 118.2579 58.9359 29.8424 179.9395 62 A 4.2622 7.4728 122.2379 51.5034 17.5576 178.6020 *64 K 4.3212 8.1526 120.8864 58.1315 34.4300 176.5523 65 D 4.4997 7.8910 115.8423 54.2222 41.3537 176.3679 66 V 3.8679 7.5019 120.3109 61.3134 31.7835 173.6176 67 P 4.4623 0.0000 0.0000 62.3472 32.6255 175.4140 68 E 4.1698 8.6282 122.9769 56.3527 30.3500 175.9380 69 A 4.5399 8.7896 129.1074 51.8180 19.4090 176.9425 70 T 4.9395 9.0912 110.4895 58.6381 72.2212 173.0723 71 P 4.2260 0.0000 0.0000 65.8524 31.1938 178.6339 72 A 4.1948 8.0800 118.6499 54.5324 18.2702 179.3183 73 D 4.4617 8.5046 118.3608 57.5781 40.8063 178.7085 74 L 4.1751 8.0651 117.6129 57.7472 41.7648 178.5886 75 E 4.0818 7.9958 118.1216 59.3159 29.6826 178.4995 76 W 4.2619 8.2666 126.4443 59.2378 31.0853 176.0179 77 A 3.7718 7.3472 120.7424 51.5247 18.7441 176.6325 78 E 4.5519 8.2965 119.1173 56.4541 32.1250 175.8641 79 A 5.0417 7.7705 120.6010 50.0609 22.8091 174.9671 80 I 5.1985 8.5416 121.1338 59.6535 41.4378 174.9671 81 V 4.7015 8.6751 123.2541 61.5361 34.8764 174.2382 82 F 5.6374 8.4429 125.6861 55.8658 42.7011 175.2637 83 S 4.8425 8.4396 114.0628 57.8573 64.2341 172.2194 84 S 5.2781 8.3925 120.4041 55.1372 65.2855 171.2125 85 P 5.0721 0.0000 0.0000 62.6704 32.4067 175.6587 86 T 4.2803 8.1467 111.6505 61.4786 69.6326 174.2032 87 R 4.2101 9.0013 127.0706 55.0671 30.4954 175.0649 88 F 3.8053 9.2458 126.0303 58.7041 36.3484 175.3536 89 G 4.1725 8.9883 109.6326 45.3653 0.0000 174.5152 90 G 3.9920 7.6883 107.2260 43.1521 0.0000 172.3728 91 A 4.6414 8.1962 122.1023 51.2577 19.0997 177.4501 92 T 4.0452 8.2830 110.8609 61.7826 69.3975 174.8558 93 S 4.2150 8.5190 116.9105 61.6024 63.4442 176.4490 94 Q 3.7933 7.7987 116.6258 57.1406 28.6775 178.3096 *96 R 4.2946 8.0280 119.1006 56.2853 32.1751 177.4835 97 A 3.9833 8.5666 119.2555 55.3454 18.4000 179.0937 98 F 4.3272 8.0317 118.7040 61.5869 39.5091 177.0613 99 I 3.6542 8.0001 118.8764 64.8862 36.4800 177.9419 100 D 4.4776 8.1344 119.6012 57.0482 40.2886 177.7521 101 T 4.4451 7.2501 108.4574 61.9653 69.2920 175.3763 102 L 4.6136 7.3407 119.5783 55.2014 41.8817 178.4879 103 G 3.7109 7.6364 108.0658 47.6080 0.0000 176.4166 104 G 3.8030 7.9910 107.4816 47.8236 0.0000 175.5145 105 L 4.1945 7.8260 120.5073 55.7924 41.6651 179.0477 106 W 4.0943 8.0668 128.9319 60.4269 30.5456 177.4682 107 S 4.5891 8.0778 112.3651 59.4909 62.4202 174.4036 108 S 4.5038 7.7156 116.6403 60.4245 63.6600 174.3357 109 G 3.6342 7.8068 106.5673 47.4756 0.0000 176.6986 110 K 4.0383 7.3428 122.8492 58.0107 32.5147 177.4026 111 L 4.1354 7.6463 116.3893 55.6569 42.2411 176.9729 112 A 4.3028 7.4258 122.0627 53.0383 18.6731 178.4683 113 N 4.5628 9.0221 117.9699 53.2574 37.7808 174.9691 114 K 4.2293 7.6859 119.2461 56.1218 33.2862 176.9941 115 T 4.3738 8.3138 119.7511 62.8130 69.1675 172.5355 116 F 5.2304 8.6200 124.1839 57.5334 43.6424 172.7789 117 S 5.0933 8.4132 118.9720 55.5315 66.7338 171.3571 118 A 5.1237 7.7116 121.2144 50.1692 22.8892 174.5417 *120 T 4.8565 8.5545 111.5255 62.6633 69.2840 172.5821 121 S 5.2808 8.0708 116.8195 57.2461 67.1185 172.2947 122 A 4.5917 8.6643 119.7660 51.6275 22.4348 177.8944 123 Q 3.9898 8.9424 119.0143 59.0411 29.0908 176.9862 124 N 4.7536 7.8105 114.1445 51.8734 39.6567 175.8169 125 V 4.1765 8.7597 121.7644 63.7971 31.9858 176.3257 126 N 5.0755 7.8726 115.6025 51.5234 36.8296 174.4333 127 G 4.0741 7.6109 102.9923 46.6875 0.0000 172.3682 128 G 4.4960 8.4663 106.5196 45.4002 0.0000 176.6569 129 Q 4.1051 8.1896 120.3893 57.9575 28.8015 177.7613 130 E 4.4703 8.0631 119.5047 59.0632 30.2973 178.3430 131 T 3.7889 7.8362 109.1858 65.2495 68.7293 176.2757 132 T 3.9325 7.8549 117.9347 66.3886 68.5145 176.5820 133 L 4.0439 7.9770 120.4244 57.9017 41.4668 179.1993 134 Q 3.9908 8.0433 118.8476 59.5218 29.0931 178.3284 135 T 4.0694 7.8253 109.2171 64.3963 68.9563 176.3723 136 L 4.1917 7.8906 121.9817 57.5440 41.4028 178.0717 137 Y 4.2586 7.8974 117.3884 58.3784 37.6858 178.1388 *139 T 3.9169 7.8720 116.9005 63.5939 70.8449 178.6845 140 A 2.6849 6.0379 126.0033 51.1567 17.2345 179.0115 *142 H 4.7518 8.1733 118.5714 56.8141 31.0486 175.2969 143 W 4.5538 7.3809 118.1428 57.3384 29.3746 177.0649 144 G 3.5904 8.2635 106.3609 46.2559 0.0000 173.3487 145 A 4.6125 7.8629 121.3252 51.5273 20.0983 178.3949 146 V 4.2208 8.1409 119.1489 61.1180 32.8369 174.5959 147 L 4.9043 8.5095 128.6023 54.9310 42.2216 177.9299 148 T 4.7430 8.7409 114.0541 59.2566 67.9125 171.7634 149 P 4.6408 0.0000 0.0000 62.0693 33.0010 175.7814 150 P 4.2892 0.0000 0.0000 63.9674 32.6339 177.5025 151 G 3.7038 7.5468 107.5501 47.1566 0.0000 174.4852 152 Y 4.7436 8.1154 118.3660 57.5826 38.3970 177.0529 153 T 4.1120 7.5943 110.2538 63.0661 69.5313 173.2915 154 D 4.9120 7.4817 121.0540 52.0191 44.3887 175.7739 155 E 4.3888 8.7056 123.2811 58.9103 29.9735 179.1128 156 V 3.8282 7.9248 118.3170 64.0325 31.5569 178.1087 157 I 3.6178 7.3436 120.2667 64.2733 36.7941 178.2937 158 F 4.1828 7.9873 118.3432 60.6950 38.6612 177.9357 159 K 4.0210 8.3110 116.2721 59.3237 31.9805 177.8148 160 S 4.4731 7.7409 111.2884 57.9619 63.1538 173.9556 161 G 3.8092 8.8668 111.1336 45.1054 0.0000 174.5879 162 G 3.6635 8.2937 107.9946 46.3841 0.0000 173.1476 163 N 4.3900 7.9575 118.6190 51.5345 39.6156 172.6796 164 P 4.3679 0.0000 0.0000 64.0860 32.1096 177.9484 165 Y 4.1453 7.4357 116.5502 58.4483 37.9155 176.0164 166 G 4.3642 8.0542 108.1031 44.1425 0.0000 171.5921 167 A 4.0389 8.4222 123.7926 52.4036 18.5896 177.3537 168 S 5.5972 8.3694 116.7417 55.6025 66.5982 173.7411 169 V 4.3357 7.9963 119.7724 61.9196 35.2868 174.3399 170 T 4.7559 8.6374 124.6351 62.3351 68.2275 172.7287 171 A 4.4898 8.9898 128.7673 51.1928 19.2634 178.1444 172 N 4.6226 8.7117 120.5157 51.8356 37.4634 174.5085 173 G 4.2306 8.7368 110.6058 47.2788 0.0000 174.9278 174 Q 4.2670 7.4363 116.7819 54.2341 29.7615 173.8086 175 P 4.4997 0.0000 0.0000 62.1027 32.2113 176.0298 176 L 3.9200 8.3410 119.2784 55.3229 42.1786 178.2641 177 L 4.1914 8.3268 122.6973 54.5435 43.6563 178.0098 178 E 3.9708 8.6529 121.2322 59.4559 29.6344 178.9419 179 N 4.3435 8.1262 116.2951 56.4050 38.6606 176.9253 180 D 4.3794 7.9892 119.8070 57.3052 41.0328 178.8867 181 R 3.8930 8.1580 118.4604 58.9409 30.0376 178.7907 182 A 3.9479 8.1287 120.7054 55.2384 18.4064 179.3022 183 S 4.0077 8.0435 111.4835 61.8908 62.4166 176.5251 184 I 3.6988 7.8180 122.0815 64.3713 36.8365 178.5474 185 R 3.9043 7.9594 118.8356 59.6490 29.9564 178.4742 186 H 4.1049 8.1629 117.8419 59.2683 29.7801 176.8268 187 Q 3.8457 8.0984 121.2120 59.3510 28.8450 178.3296 188 V 3.4917 7.9420 119.0067 65.8814 31.6329 177.5579 189 R 3.8117 7.9569 118.2306 59.7014 29.8302 177.8421 190 R 4.2396 7.8103 119.3506 58.9697 29.9322 178.1190 191 Q 3.9310 7.9789 118.9338 59.1385 28.9221 178.4882 192 V 3.5579 8.0288 119.5009 66.0512 31.5302 177.5864 193 E 3.9425 8.7350 118.6615 59.7521 29.4271 179.5938 194 L 4.0302 8.1133 118.8931 58.1332 41.7065 179.7379 195 T 3.9556 8.3048 115.8492 66.1427 68.2970 176.8389 196 A 3.9700 8.2746 123.2691 55.2139 18.4485 179.8476 197 K 4.0116 7.9080 116.5595 59.5057 31.8410 179.4008 198 L 3.9825 7.6791 119.6809 57.7380 42.1446 178.8953 199 L 4.1149 7.8982 119.0996 57.6719 41.5497 178.7870 200 E 4.0400 8.3676 117.6165 59.6619 29.6622 179.7418 201 G 3.9236 8.0797 103.5149 47.0226 0.0000 176.3225 202 G 4.2531 8.3563 112.3195 44.3305 0.0000 173.7401 203 S 4.3421 8.6925 120.7086 58.3184 63.4251 174.0205 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 4 P 0.00 4.36 0.00 2.08 2.23 0.00 3.67 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 1.95 2.09 0.00 5 V 8.06 3.70 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 1.12 0.00 0.00 0.91 0.00 0.00 6 K 8.57 4.57 0.00 1.01 0.74 0.00 1.36 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.09 1.07 7.81 7 L 8.44 4.85 0.00 1.82 1.65 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.89 5.02 1.63 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 0.00 0.00 9 I 9.52 4.71 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.76 1.04 0.00 0.00 10 V 9.24 4.77 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 1.04 0.00 0.00 11 F 8.71 5.30 0.00 3.22 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 12 Y 8.31 4.65 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 6.91 4.19 0.00 4.01 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 14 S 7.93 3.87 0.00 2.72 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 15 T 7.26 4.87 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 1.01 0.00 0.00 16 G 7.96 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.72 3.87 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 1.18 0.00 0.00 18 G 8.18 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.21 3.51 0.00 2.95 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 20 A 7.75 3.46 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 *22 A 7.99 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.79 3.79 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.08 1.65 0.00 24 E 7.68 3.84 0.00 1.94 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 2.26 2.35 0.00 25 A 7.88 3.96 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 26 A 7.80 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 27 E 8.15 3.96 0.00 2.17 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 2.31 2.30 0.00 28 A 8.01 4.08 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 29 G 8.13 3.66 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 0.00 0.00 0.00 30 R 8.06 3.86 0.00 2.18 1.94 0.00 3.19 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 31 A 8.27 3.98 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 32 A 8.19 4.17 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 33 G 7.12 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 0.00 0.00 0.00 34 A 8.36 4.65 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 35 E 9.07 4.21 0.00 2.20 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 2.81 2.45 0.00 36 V 8.29 4.29 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 0.97 0.00 0.00 1.15 0.00 0.00 37 R 8.99 4.49 0.00 1.90 1.75 0.00 2.45 0.00 0.00 2.59 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.09 0.00 38 L 8.75 4.74 0.00 1.72 1.70 1.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 39 L 9.26 5.08 0.00 1.49 1.38 1.06 0.47 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 40 K 8.00 3.73 0.00 1.19 1.42 0.00 1.21 0.00 0.00 1.51 0.00 0.00 2.61 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.15 7.81 41 V 7.62 3.68 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 0.63 0.00 0.00 0.64 0.00 0.00 42 R 8.25 3.81 0.00 1.97 1.82 0.00 3.31 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 43 E 8.73 4.36 0.00 2.08 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 0.00 2.43 2.44 0.00 44 T 8.25 4.27 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 1.27 0.00 0.00 45 A 8.45 4.17 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.29 0.00 2.26 2.02 0.00 3.62 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 2.11 2.07 0.00 47 Q 8.59 4.03 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 48 D 8.03 4.45 0.00 2.83 2.75 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 49 V 7.66 4.24 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 0.96 0.00 0.00 0.91 0.00 0.00 50 I 7.07 2.88 1.40 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 -0.24 -0.07 0.28 0.00 0.00 51 D 7.26 4.41 0.00 2.73 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 52 G 8.03 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.27 4.49 0.00 2.42 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.64 2.80 0.00 54 D 8.66 4.33 0.00 2.84 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 55 A 8.06 4.17 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 56 W 8.16 4.75 0.00 3.43 3.20 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 0.00 57 K 8.23 3.82 0.00 2.01 1.94 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.41 7.81 58 A 8.68 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.20 4.38 0.00 3.07 3.20 0.00 0.00 7.09 7.85 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 60 I 7.76 3.82 1.88 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 1.66 1.00 0.91 0.00 0.00 61 E 7.69 4.08 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 62 A 7.47 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 *64 K 8.15 4.32 0.00 1.88 2.04 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.46 7.81 65 D 7.89 4.50 0.00 2.69 2.75 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 66 V 7.50 3.87 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 0.95 0.00 0.00 0.96 0.00 0.00 67 P 0.00 4.46 0.00 2.09 2.11 0.00 3.75 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 2.02 1.91 0.00 68 E 8.63 4.17 0.00 1.94 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 2.17 2.24 0.00 69 A 8.79 4.54 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 9.09 4.94 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 1.29 0.00 0.00 71 P 0.00 4.23 0.00 2.18 2.10 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 72 A 8.08 4.19 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 73 D 8.50 4.46 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 74 L 8.07 4.18 0.00 1.78 1.75 0.93 1.33 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 75 E 8.00 4.08 0.00 2.00 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 2.41 2.37 0.00 76 W 8.27 4.26 0.00 3.37 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 *120 T 8.55 4.86 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 121 S 8.07 5.28 0.00 3.86 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 0.00 122 A 8.66 4.59 1.20 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 0.00 0.00 0.00 123 Q 8.94 3.99 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 124 N 7.81 4.75 0.00 2.77 2.74 0.00 0.00 6.89 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.76 4.18 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 1.01 0.00 0.00 0.95 0.00 0.00 126 N 7.87 5.08 0.00 2.81 2.85 0.00 0.00 5.81 7.00 0.00 0.00 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 G 7.61 4.07 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 0.00 128 G 8.47 4.50 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 7.90 4.26 0.00 3.20 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *139 T 7.87 3.92 3.90 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 1.02 0.00 0.00 140 A 6.04 2.68 -0.38 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 *142 H 8.17 4.75 0.00 3.27 3.61 0.00 5.70 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 W 7.38 4.55 0.00 3.46 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 0.00 144 G 8.26 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 0.00 145 A 7.86 4.61 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 0.00 146 V 8.14 4.22 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 0.99 0.00 0.00 1.01 0.00 0.00 147 L 8.51 4.90 0.00 1.58 1.71 1.01 0.99 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 0.00 148 T 8.74 4.74 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 1.25 0.00 0.00 149 P 0.00 4.64 0.00 2.27 1.83 0.00 3.72 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.70 0.00 150 P 0.00 4.29 0.00 2.18 2.34 0.00 3.91 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 151 G 7.55 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 0.00 152 Y 8.12 4.74 0.00 3.05 2.75 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 0.00 153 T 7.59 4.11 4.33 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 1.31 0.00 0.00 154 D 7.48 4.91 0.00 2.11 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 0.00 0.00 0.00 155 E 8.71 4.39 0.00 2.09 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 2.43 2.28 0.00 156 V 7.92 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 0.85 0.00 0.00 0.95 0.00 0.00 157 I 7.34 3.62 1.81 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 1.51 0.38 0.58 0.00 0.00 158 F 7.99 4.18 0.00 3.24 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 0.00 159 K 8.31 4.02 0.00 1.81 2.04 0.00 1.78 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.51 7.81 160 S 7.74 4.47 0.00 3.93 4.14 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 0.00 161 G 8.87 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 0.00 162 G 8.29 3.66 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 0.00 0.00 0.00 163 N 7.96 4.39 0.00 2.64 2.72 0.00 0.00 7.24 7.69 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 0.00 164 P 0.00 4.37 0.00 1.63 1.05 0.00 3.06 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.30 0.00 165 Y 7.44 4.15 0.00 3.15 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 0.00 166 G 8.05 4.36 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 0.00 167 A 8.42 4.04 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 0.00 168 S 8.37 5.60 0.00 3.86 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 0.00 169 V 8.00 4.34 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 1.08 0.00 0.00 0.97 0.00 0.00 170 T 8.64 4.76 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 1.25 0.00 0.00 171 A 8.99 4.49 1.19 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 0.00 0.00 172 N 8.71 4.62 0.00 2.77 2.83 0.00 0.00 6.49 7.00 0.00 0.00 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 8.74 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 0.00 0.00 0.00 0.00 174 Q 7.44 4.27 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.99 0.00 0.00 0.00 0.00 0.00 2.54 2.28 0.00 175 P 0.00 4.50 0.00 2.13 2.01 0.00 3.51 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 1.96 2.08 0.00 176 L 8.34 3.92 0.00 1.58 1.64 0.86 0.90 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 0.00 177 L 8.33 4.19 0.00 1.84 1.58 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 178 E 8.65 3.97 0.00 2.06 1.94 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 2.37 2.46 0.00 179 N 8.13 4.34 0.00 2.78 2.86 0.00 0.00 7.18 8.08 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 0.00 180 D 7.99 4.38 0.00 2.80 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 0.00 181 R 8.16 3.89 0.00 1.84 1.94 0.00 3.25 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 182 A 8.13 3.95 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 0.00 183 S 8.04 4.01 0.00 4.03 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 0.00 184 I 7.82 3.70 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 0.89 0.00 0.00 185 R 7.96 3.90 0.00 2.05 1.99 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 186 H 8.16 4.10 0.00 3.27 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 Q 8.10 3.85 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 188 V 7.94 3.49 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.00 0.00 0.00 189 R 7.96 3.81 0.00 1.94 2.07 0.00 3.18 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 190 R 7.81 4.24 0.00 1.76 2.09 0.00 3.09 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 191 Q 7.98 3.93 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 192 V 8.03 3.56 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 1.07 0.00 0.00 0.96 0.00 0.00 193 E 8.73 3.94 0.00 2.20 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 2.34 2.45 0.00 194 L 8.11 4.03 0.00 1.87 1.72 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 195 T 8.30 3.96 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 1.23 0.00 0.00 196 A 8.27 3.97 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 0.00 197 K 7.91 4.01 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.58 7.81 198 L 7.68 3.98 0.00 1.89 1.77 0.92 0.94 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 0.00 199 L 7.90 4.11 0.00 1.92 1.66 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 200 E 8.37 4.04 0.00 1.88 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 2.35 2.34 0.00 201 G 8.08 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 0.00 202 G 8.36 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 0.00 0.00 0.00 0.00 203 S 8.69 4.34 0.00 3.98 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 * Residues marked with a * may have inaccurate shift predictions.