NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.6805 8.4249 118.1270 53.1521 38.7420 173.8560 6 L 4.2466 8.0001 123.1451 54.0294 42.9245 171.0892 7 V 4.5772 8.4461 112.4713 59.5237 37.3742 172.4771 8 P 4.7737 0.0000 0.0000 62.7460 32.8661 175.6537 9 T 4.8003 8.2388 111.5989 60.1070 71.1489 173.1262 10 V 4.1925 8.6396 127.4748 61.5092 33.1607 175.7794 11 I 4.7317 8.2992 128.7845 59.6195 39.7728 174.5818 12 E 4.1340 8.6814 122.1186 56.2756 29.7917 176.6316 13 K 4.4669 8.3122 119.5726 56.8791 33.4723 177.0722 *19 R 4.2723 7.9933 117.8186 56.1661 31.8399 174.6144 20 A 4.7487 7.6618 117.3101 50.4731 23.1154 175.5533 21 F 4.7323 9.2862 122.4411 57.0334 40.5422 174.7671 22 D 5.6149 7.8173 126.2734 50.8412 42.0913 177.1792 23 I 3.4474 7.6035 117.1532 64.3472 37.6631 177.3912 24 Y 4.2241 7.5111 117.1909 61.1295 37.9043 178.3649 25 S 4.0993 7.6416 115.8593 61.2463 62.5795 176.6181 26 R 3.9448 7.2106 120.4891 59.6410 30.2137 178.4455 27 L 4.2230 8.1827 118.7808 57.6373 41.4884 179.3386 28 L 4.3802 8.0901 121.8877 57.3158 41.7857 178.5856 29 K 4.0329 7.9853 118.7365 58.9271 30.7184 176.7528 30 E 4.5880 8.3017 117.5391 55.8784 29.7988 176.3809 31 R 4.1119 8.2433 116.3194 57.3662 27.8893 175.2907 32 I 5.0422 7.3421 118.8526 59.9539 39.0113 175.0759 33 V 4.6459 9.2022 127.3594 61.0467 34.6213 173.9985 34 F 5.4678 9.0807 125.0162 55.7262 41.4169 174.4419 35 L 4.7346 9.0895 126.3304 53.6022 43.5938 174.4578 36 N 5.1849 8.9382 125.2702 53.3222 41.2967 174.8467 37 G 3.8498 9.1613 115.5568 43.9385 0.0000 172.1799 38 E 4.2912 8.3992 116.3703 56.5376 30.4662 177.0980 39 V 4.0747 8.7578 123.4982 62.7061 32.6215 174.4482 40 N 5.2092 8.9365 125.4613 50.5605 41.0659 174.7523 41 D 4.3910 8.9593 117.2798 58.0390 40.6989 178.6433 42 H 4.1562 8.2421 118.1347 59.4426 30.0492 177.4394 43 S 4.1221 9.0849 116.2480 61.1285 62.8132 176.2729 44 A 3.9863 8.4081 124.9091 55.0469 18.1046 179.0971 45 N 4.2160 8.2387 115.6017 56.6767 39.0088 176.7353 46 L 3.9022 7.8872 120.4664 58.0121 41.6680 179.8146 47 V 3.5144 7.5724 117.3680 65.9824 31.4256 177.9788 48 I 3.6121 7.8821 119.3529 64.3444 36.9348 178.1008 49 A 4.0111 8.2425 121.7405 55.4566 18.2305 179.6612 50 Q 4.0758 8.0908 116.3876 59.0880 28.7931 179.1889 51 L 3.9244 8.1972 120.2106 57.8662 41.7296 179.5257 52 L 4.0413 8.3055 119.3099 57.8352 41.5239 179.4596 53 F 4.2987 8.5216 120.6833 61.3131 39.2941 177.2820 54 L 3.5503 8.1147 118.7280 57.4448 41.1466 179.0402 55 E 3.8226 7.9705 118.6856 59.1021 29.5820 178.5466 56 S 4.1782 7.7206 112.6376 61.2100 62.5262 175.7100 57 E 4.2016 7.6375 120.3793 58.0371 29.2969 177.1019 58 D 4.3409 7.6969 119.8128 52.5135 43.0558 172.8258 59 P 4.3305 0.0000 0.0000 65.8492 31.6411 177.6879 60 D 4.4134 8.0908 117.7714 56.7985 41.0061 177.0232 61 K 4.2460 7.6222 118.0863 55.8516 32.5740 177.4858 62 D 4.5640 8.6778 123.7464 54.8013 41.8098 175.6948 63 I 4.3418 8.1634 121.0915 59.6418 40.9197 174.4016 64 Y 4.8724 8.8569 123.6778 56.4948 40.0687 174.8426 65 F 5.5216 9.3302 129.1817 56.8389 40.8759 173.6891 66 Y 4.7512 8.9343 125.3863 57.1905 39.4991 174.8298 67 I 4.7468 9.1331 124.8323 59.5753 40.7733 174.3729 68 N 5.4798 9.3862 125.4238 52.1696 40.9197 172.1648 69 S 4.9839 9.3831 119.6743 56.0856 66.3641 172.3641 70 P 4.6443 0.0000 0.0000 62.7774 32.2288 177.6672 71 G 3.8544 7.7070 107.2651 46.3524 0.0000 174.6271 72 G 4.7564 8.5949 116.5790 47.0825 0.0000 173.7966 *74 V 4.1413 7.3727 119.7766 62.9679 33.2272 177.0846 75 T 3.9260 8.2163 107.6156 64.7878 68.4833 174.9047 76 A 4.1512 8.2761 125.3563 54.6962 18.7029 180.7722 77 G 3.6410 7.7438 103.8296 45.5677 0.0000 175.9390 *79 G 3.8777 8.2703 110.5437 45.2481 0.0000 176.3361 80 V 3.5516 7.4791 117.1456 65.8346 31.5926 177.1209 81 Y 4.2098 7.9619 117.9853 60.9428 38.9797 177.5918 82 D 4.5724 8.2583 119.2429 57.4653 41.0078 179.6566 83 T 4.0435 7.9494 114.7921 64.0692 68.2247 176.2052 *85 Q 4.1612 8.0815 121.8262 55.9246 30.9225 176.9062 86 F 4.3455 8.2685 119.6596 60.8679 39.5876 176.0093 87 I 3.7521 7.4742 112.5528 60.2806 37.9617 175.8972 88 K 3.8959 8.6721 123.9614 59.0906 32.1883 176.0754 89 P 4.4557 0.0000 0.0000 62.0851 32.1738 176.3561 90 D 4.3380 8.6711 123.1774 54.7457 42.2042 175.4431 91 V 4.4302 8.2437 123.0490 61.1283 33.4721 174.3280 92 S 4.8949 9.0796 125.0394 58.2236 63.8409 172.7223 93 T 5.0936 8.5402 116.8255 60.1527 71.4211 173.4947 94 I 4.6499 8.4852 124.9603 59.6975 41.0501 173.9164 95 C 4.8939 9.3036 129.5049 58.0932 32.6108 173.8849 96 I 4.3621 9.3542 123.3013 59.0517 36.8551 178.4235 97 G 4.8053 7.0274 119.9839 47.2275 0.0000 171.8841 98 L 5.2891 8.0203 119.9632 52.4057 46.2731 174.9555 99 A 5.0455 9.2586 126.7692 50.2248 21.0118 174.4051 100 A 4.6001 8.7366 122.1408 51.9135 21.8132 176.5007 101 S 3.5420 8.6343 117.2090 60.0045 62.8511 174.5744 *103 G 3.8907 7.8840 106.9167 45.5219 0.0000 175.0243 104 S 4.1634 7.8915 116.0222 60.6109 63.0162 176.2881 105 L 3.9401 7.8209 123.6227 58.0784 41.7297 178.7964 106 L 4.1771 7.8581 117.2949 57.5541 41.8542 178.7009 107 L 4.0312 8.0115 120.1304 58.2720 41.8802 179.0424 108 A 4.7528 7.5434 120.3408 53.8924 18.3956 178.8226 109 G 3.8311 7.7755 102.3167 44.2804 0.0000 173.9355 110 G 3.9968 7.2161 107.9281 45.6919 0.0000 173.5135 111 A 4.2531 8.8080 122.1786 51.7680 19.7043 177.1727 112 K 3.9406 8.5342 121.9027 57.6847 32.5406 177.2377 113 G 3.9398 9.2203 115.0709 45.7226 0.0000 173.0051 114 K 4.5974 7.9918 118.2556 55.9441 34.4193 175.4421 115 R 5.0387 7.8392 119.5689 54.0326 32.1476 175.2157 116 Y 5.7727 9.3740 121.0597 55.2621 42.5624 174.4810 117 S 5.1692 8.4655 114.4125 56.5392 66.4683 173.3473 118 L 4.9012 8.5413 124.9740 53.3111 42.4012 176.6287 119 P 4.2555 0.0000 0.0000 65.2567 31.4269 177.8333 120 S 4.6918 7.8721 111.7027 58.2252 63.1201 174.2655 121 S 4.6168 7.6310 117.1362 58.8057 63.5507 173.5368 122 Q 4.7650 8.8514 121.3394 54.4242 31.0244 175.0866 123 I 5.5193 8.5043 123.1983 58.3454 41.2404 174.4903 *125 I 3.9789 8.0236 115.5500 61.5478 39.0728 174.0619 126 H 5.0322 8.1306 117.4521 55.2463 30.5632 173.1498 127 Q 4.4576 8.4276 117.3379 54.5940 29.5977 174.3622 128 P 4.4194 0.0000 0.0000 62.6908 32.1359 175.5411 129 L 4.8580 8.0078 118.7906 53.3838 44.8498 177.0522 130 G 3.9929 7.4634 108.9980 46.9199 0.0000 172.3493 131 G 4.5305 7.8542 115.4883 45.4325 0.0000 171.5468 132 F 4.8530 8.1622 123.0851 56.3303 42.5499 173.7227 133 R 4.4998 8.3926 126.1051 53.1506 32.3405 176.7932 134 G 3.7827 7.7566 107.4593 45.4276 0.0000 172.4314 135 Q 4.1718 8.0329 118.2397 55.3222 30.7949 176.5643 136 A 4.0184 8.6829 125.4066 55.8160 18.3432 180.1745 137 S 4.0732 8.2109 112.7150 62.2624 62.9634 176.8238 138 D 4.4151 8.1427 120.6399 57.4165 40.5803 178.7574 139 I 3.8869 8.3800 120.8844 64.1712 37.0402 177.9914 140 E 3.9120 8.7318 120.5673 59.3515 29.5194 178.8312 141 I 3.6206 7.7324 119.5959 65.0132 37.2695 178.3185 142 H 4.0532 8.1897 116.3754 58.2657 28.4585 177.9393 143 A 3.9813 8.2009 123.3149 55.0965 18.2703 179.7150 144 K 3.8836 8.3824 117.5074 59.6507 32.0773 179.1307 145 N 4.2539 8.1628 117.2582 56.6705 38.9395 176.8335 146 I 3.7260 7.9022 119.7249 63.6019 37.9853 177.8086 147 L 4.0737 7.7031 119.7768 57.5464 41.4714 179.3545 148 R 3.9219 7.9318 118.1828 59.2784 29.9089 179.2051 149 I 3.6906 7.9346 119.7082 64.1059 37.0885 178.2151 150 K 3.8417 8.0664 120.5545 59.5760 31.8948 178.2645 151 D 4.2781 8.0620 118.1269 57.4049 41.1117 178.4748 152 R 3.8625 8.0014 118.5283 59.1359 30.0725 178.8429 153 L 3.8781 8.1472 119.1198 58.0971 41.6368 179.3574 154 N 4.3398 8.0973 116.1076 56.3766 38.4091 177.6173 155 K 3.9518 8.1934 119.9264 59.2373 32.1239 179.4116 156 V 3.5680 7.9242 118.6468 66.2261 31.4797 178.1158 157 L 4.0667 7.9623 118.3273 57.7253 41.4356 179.4569 158 A 3.9875 8.2578 120.9153 55.3601 18.0873 179.1335 159 H 4.0761 8.2513 115.8827 59.6509 30.0258 176.7103 160 H 4.4315 7.9917 116.2105 57.7980 28.9199 177.1039 161 T 4.8255 7.4348 112.1394 61.2152 69.2669 176.1955 162 G 3.8659 8.0791 108.3911 45.0333 0.0000 173.5772 163 Q 4.0667 7.4978 118.2252 55.3259 29.6025 176.5267 164 D 4.4903 8.2823 119.5623 53.8581 42.7466 177.1665 165 L 3.9118 8.5649 124.7684 58.7762 42.0077 179.2658 166 E 3.9515 8.2575 117.5553 59.8711 29.3743 179.3488 167 T 3.9040 7.8995 114.9776 66.7788 68.3508 176.4744 168 I 3.8222 7.3736 120.0599 64.2983 37.4978 178.2082 169 V 3.7541 8.0488 119.3160 66.2376 31.1326 178.2426 170 K 4.0308 7.8547 116.4928 59.4519 32.0269 178.4240 171 D 4.6869 8.1810 116.4760 55.2126 41.2486 176.8577 172 T 4.5393 7.5109 108.7075 61.1012 69.4856 175.4327 173 D 4.3236 8.2304 122.9078 56.8954 41.4196 175.7750 174 R 4.7347 7.4285 115.0544 53.4615 34.1617 174.1311 175 D 4.2239 8.6644 118.1463 55.5659 41.2308 176.5137 176 N 4.7688 8.2869 121.3158 51.6852 40.4337 173.8477 177 F 4.4167 8.6710 124.0208 56.9853 40.1494 175.6441 *180 A 4.4328 8.5368 122.6201 52.3789 20.4797 179.0555 181 D 4.4094 7.9630 115.4407 56.6362 39.4067 178.4968 182 E 4.0437 8.1889 119.3710 58.9148 29.5884 178.7749 183 A 4.0304 7.9878 120.5673 55.0111 18.5684 179.4205 184 K 4.1502 8.5558 119.2888 59.1836 32.1043 178.9877 185 A 4.0965 7.8414 119.6554 54.8510 18.3694 178.4314 186 Y 4.2270 8.0629 117.1618 58.7822 39.1778 176.3802 187 G 3.9437 8.0000 107.9099 45.5477 0.0000 175.1943 188 L 4.1531 8.3251 121.8240 56.3689 41.7166 176.5935 189 I 5.0322 7.4098 110.2538 59.3158 40.8690 174.7796 190 D 4.6395 8.7164 119.3909 55.4585 42.6719 177.3724 191 H 4.9081 7.5843 114.2636 54.1141 33.4652 172.6648 192 V 4.7299 8.5952 123.2393 61.6104 32.3378 174.7471 193 I 4.5722 8.6838 121.8459 59.3195 39.4940 175.9002 194 E 4.4059 9.0230 125.1650 56.7165 31.5829 175.8175 195 S 4.6625 7.6242 110.6721 56.1034 65.7345 173.4021 196 R 4.0198 8.7481 127.1686 59.6176 30.1994 177.7237 197 E 4.0256 8.2267 115.5702 59.0495 29.8592 176.5696 198 A 4.1688 8.1291 124.5559 52.7473 18.2829 176.9505 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 5 N 8.42 4.68 0.00 2.71 2.88 0.00 0.00 6.99 6.97 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 6 L 8.00 4.25 0.00 1.73 1.64 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.45 4.58 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 0.76 0.00 0.00 0.93 0.00 0.00 8 P 0.00 4.77 0.00 2.01 1.92 0.00 3.36 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 9 T 8.24 4.80 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 10 V 8.64 4.19 2.28 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 1.04 0.00 0.00 1.01 0.00 0.00 11 I 8.30 4.73 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.92 0.00 0.00 12 E 8.68 4.13 0.00 2.10 1.96 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 2.29 2.30 0.00 13 K 8.31 4.47 0.00 1.80 1.85 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.35 7.81 *19 R 7.99 4.27 0.00 1.87 2.09 0.00 3.19 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 20 A 7.66 4.75 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 9.29 4.73 0.00 3.07 3.24 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 22 D 7.82 5.61 0.00 2.85 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 23 I 7.60 3.45 1.61 0.00 0.00 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 1.19 1.14 0.17 0.00 0.00 24 Y 7.51 4.22 0.00 3.21 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 25 S 7.64 4.10 0.00 3.10 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.21 3.94 0.00 1.56 2.03 0.00 3.56 0.00 0.00 3.54 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 27 L 8.18 4.22 0.00 1.96 1.95 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.09 4.38 0.00 2.05 1.99 1.10 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.99 4.03 0.00 2.06 2.22 0.00 2.00 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.57 1.64 7.81 30 E 8.30 4.59 0.00 2.34 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 31 R 8.24 4.11 0.00 2.13 1.98 0.00 3.09 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 32 I 7.34 5.04 2.23 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.52 1.00 0.00 0.00 33 V 9.20 4.65 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 1.07 0.00 0.00 0.94 0.00 0.00 34 F 9.08 5.47 0.00 2.90 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 35 L 9.09 4.73 0.00 2.13 1.53 1.02 0.28 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 36 N 8.94 5.18 0.00 2.76 2.64 0.00 0.00 7.42 7.98 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 37 G 9.16 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 38 E 8.40 4.29 0.00 2.10 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 2.30 2.34 0.00 39 V 8.76 4.07 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 0.99 0.00 0.00 0.98 0.00 0.00 40 N 8.94 5.21 0.00 2.86 2.91 0.00 0.00 6.57 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 41 D 8.96 4.39 0.00 2.73 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 42 H 8.24 4.16 0.00 3.25 3.48 0.00 5.87 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 9.08 4.12 0.00 4.07 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 0.00 44 A 8.41 3.99 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 45 N 8.24 4.22 0.00 3.01 2.80 0.00 0.00 7.25 6.00 0.00 0.00 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 L 7.89 3.90 0.00 1.84 1.67 0.80 0.57 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 47 V 7.57 3.51 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 0.72 0.00 0.00 1.09 0.00 0.00 48 I 7.88 3.61 2.00 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 1.44 0.56 0.90 0.00 0.00 49 A 8.24 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.09 4.08 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 51 L 8.20 3.92 0.00 1.77 1.64 0.69 0.40 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 52 L 8.31 4.04 0.00 1.85 1.78 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.52 4.30 0.00 3.10 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.11 3.55 0.00 1.79 1.57 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.97 3.82 0.00 1.91 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 2.24 2.21 0.00 56 S 7.72 4.18 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.64 4.20 0.00 1.75 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 0.00 1.62 1.47 0.00 58 D 7.70 4.34 0.00 2.51 2.45 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 0.00 0.00 0.00 0.00 59 P 0.00 4.33 0.00 2.15 2.09 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 60 D 8.09 4.41 0.00 2.75 2.74 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 0.00 0.00 0.00 0.00 61 K 7.62 4.25 0.00 1.54 1.70 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.60 7.81 62 D 8.68 4.56 0.00 2.32 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 0.00 0.00 0.00 63 I 8.16 4.34 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.49 0.88 0.00 0.00 64 Y 8.86 4.87 0.00 2.87 2.68 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 65 F 9.33 5.52 0.00 2.93 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 66 Y 8.93 4.75 0.00 2.37 2.81 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 67 I 9.13 4.75 1.71 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.29 0.80 0.00 0.00 68 N 9.39 5.48 0.00 2.85 2.72 0.00 0.00 6.22 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 69 S 9.38 4.98 0.00 3.88 3.62 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 70 P 0.00 4.64 0.00 2.23 2.15 0.00 3.95 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 71 G 7.71 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 72 G 8.59 4.76 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 0.00 0.00 0.00 *74 V 7.37 4.14 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 1.00 0.00 0.00 0.93 0.00 0.00 75 T 8.22 3.93 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 76 A 8.28 4.15 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 77 G 7.74 3.64 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 0.00 0.00 0.00 *79 G 8.27 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 80 V 7.48 3.55 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 0.93 0.00 0.00 0.99 0.00 0.00 81 Y 7.96 4.21 0.00 3.08 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 82 D 8.26 4.57 0.00 2.78 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 83 T 7.95 4.04 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 *85 Q 8.08 4.16 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.08 0.00 0.00 0.00 0.00 0.00 1.82 1.92 0.00 86 F 8.27 4.35 0.00 2.99 3.25 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 87 I 7.47 3.75 1.78 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 1.26 0.61 1.09 0.00 0.00 88 K 8.67 3.90 0.00 1.72 1.92 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.30 7.81 89 P 0.00 4.46 0.00 1.86 2.13 0.00 3.57 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 90 D 8.67 4.34 0.00 2.83 2.54 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 0.00 0.00 0.00 0.00 91 V 8.24 4.43 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 1.08 0.00 0.00 0.83 0.00 0.00 92 S 9.08 4.89 0.00 3.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.54 5.09 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 1.34 0.00 0.00 94 I 8.49 4.65 1.25 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.69 0.99 0.00 0.00 95 C 9.30 4.89 0.00 2.99 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 96 I 9.35 4.36 1.97 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.98 1.19 0.00 0.00 97 G 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8.16 4.85 0.00 2.78 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.39 4.50 0.00 1.58 1.64 0.00 3.33 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 134 G 7.76 3.78 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 0.00 0.00 0.00 135 Q 8.03 4.17 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 136 A 8.68 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.21 4.07 0.00 3.91 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 0.00 138 D 8.14 4.42 0.00 3.13 3.06 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 0.00 139 I 8.38 3.89 2.06 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 1.58 1.02 0.98 0.00 0.00 140 E 8.73 3.91 0.00 2.05 2.17 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 2.30 2.36 0.00 141 I 7.73 3.62 1.95 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 1.48 0.82 0.77 0.00 0.00 142 H 8.19 4.05 0.00 2.96 3.21 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.20 3.98 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 0.00 144 K 8.38 3.88 0.00 1.88 1.85 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.65 7.81 145 N 8.16 4.25 0.00 2.78 2.70 0.00 0.00 6.87 7.19 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 0.00 146 I 7.90 3.73 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.04 0.98 0.00 0.00 147 L 7.70 4.07 0.00 1.89 1.68 0.91 0.87 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 0.00 148 R 7.93 3.92 0.00 1.98 1.95 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 149 I 7.93 3.69 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.85 0.88 0.00 0.00 150 K 8.07 3.84 0.00 1.95 1.98 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 151 D 8.06 4.28 0.00 2.83 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 0.00 152 R 8.00 3.86 0.00 2.12 1.91 0.00 3.22 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 153 L 8.15 3.88 0.00 1.63 1.69 0.90 0.48 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 0.00 154 N 8.10 4.34 0.00 2.96 2.87 0.00 0.00 7.11 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 K 8.19 3.95 0.00 1.92 1.84 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.45 1.61 7.81 156 V 7.92 3.57 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.70 0.00 0.00 157 L 7.96 4.07 0.00 1.78 1.77 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.26 3.99 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 0.00 159 H 8.25 4.08 0.00 3.15 3.54 0.00 5.94 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 0.00 160 H 7.99 4.43 0.00 3.23 3.50 0.00 5.70 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.43 4.83 4.30 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 1.37 0.00 0.00 162 G 8.08 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 0.00 163 Q 7.50 4.07 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.82 0.00 0.00 0.00 0.00 0.00 1.92 1.58 0.00 164 D 8.28 4.49 0.00 2.66 2.57 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 0.00 165 L 8.56 3.91 0.00 1.74 1.68 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.26 3.95 0.00 2.01 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 2.40 2.36 0.00 167 T 7.90 3.90 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 1.31 0.00 0.00 168 I 7.37 3.82 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.84 0.96 0.00 0.00 169 V 8.05 3.75 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.96 0.00 0.00 170 K 7.85 4.03 0.00 1.93 1.88 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.70 7.81 171 D 8.18 4.69 0.00 2.82 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 0.00 172 T 7.51 4.54 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 1.26 0.00 0.00 173 D 8.23 4.32 0.00 2.64 2.74 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 0.00 0.00 0.00 0.00 174 R 7.43 4.73 0.00 1.78 1.79 0.00 3.30 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 175 D 8.66 4.22 0.00 2.59 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 0.00 176 N 8.29 4.77 0.00 2.83 2.64 0.00 0.00 7.29 6.69 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 0.00 177 F 8.67 4.42 0.00 2.97 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 *180 A 8.54 4.43 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 0.00 181 D 7.96 4.41 0.00 2.90 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 0.00 182 E 8.19 4.04 0.00 2.04 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 2.42 2.39 0.00 183 A 7.99 4.03 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 0.00 184 K 8.56 4.15 0.00 1.85 1.99 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.41 7.81 185 A 7.84 4.10 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 0.00 186 Y 8.06 4.23 0.00 3.05 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 0.00 187 G 8.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 L 8.33 4.15 0.00 1.80 1.77 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 189 I 7.41 5.03 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.93 0.92 0.00 0.00 190 D 8.72 4.64 0.00 2.19 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 0.00 191 H 7.58 4.91 0.00 2.97 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 8.60 4.73 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 0.90 0.00 0.00 0.97 0.00 0.00 193 I 8.68 4.57 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 1.38 0.82 1.10 0.00 0.00 194 E 9.02 4.41 0.00 1.94 1.99 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 2.20 2.27 0.00 195 S 7.62 4.66 0.00 3.81 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 0.00 196 R 8.75 4.02 0.00 1.79 1.92 0.00 3.26 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 197 E 8.23 4.03 0.00 1.99 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 2.29 0.00 198 A 8.13 4.17 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 * Residues marked with a * may have inaccurate shift predictions.