NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 D 4.5717 8.3649 120.2042 53.6016 42.3001 174.7887 15 I 3.7633 8.5021 127.8004 61.4440 37.5751 174.4749 16 G 4.2519 10.0110 116.5603 45.0591 0.0000 171.5951 17 Q 5.1678 8.9870 118.5256 53.6630 32.1765 175.5715 18 V 4.1475 8.9065 125.0036 63.0455 31.9487 175.5981 19 I 4.3105 8.5478 129.5927 60.6250 38.5400 175.3112 20 H 4.2076 8.6013 124.8658 54.7725 30.7655 174.2677 21 P 2.0000 0.0000 0.0000 65.2390 31.2008 178.1106 22 D 4.3422 7.7970 115.8791 56.3919 41.0564 176.5515 23 D 4.8568 8.0423 118.7197 54.0371 41.4119 178.3739 24 F 4.5954 7.9812 121.4648 60.7841 38.8925 177.4499 25 D 4.7755 8.0974 117.2454 54.8833 39.2163 176.8920 26 K 4.2243 7.5961 118.0853 56.7508 32.7319 176.6562 27 A 4.4639 7.8984 122.8540 50.7854 19.4677 178.4480 28 A 4.0421 8.6523 123.0080 55.0746 18.9427 180.1948 29 A 4.2407 8.7242 118.4101 55.2365 17.8975 179.2316 30 D 4.2897 8.0118 116.5437 57.4528 40.9766 178.1534 31 D 4.2536 7.6197 117.9750 56.3321 40.7695 176.4738 32 Y 4.5228 7.5218 114.8741 57.4872 38.7083 176.0624 33 V 3.7893 7.1435 120.2190 62.6414 32.7256 176.7323 34 L 4.4029 9.0642 128.3627 53.3128 40.2213 177.1460 35 H 4.1565 7.9381 119.0570 58.8380 29.4017 178.0742 36 E 4.0051 8.2761 117.5780 58.7719 29.3918 177.2672 37 D 4.7723 8.0458 117.0385 53.8209 41.0349 176.6804 38 G 3.8920 8.1965 106.0447 46.1941 0.0000 173.7631 39 E 4.4007 8.1310 120.5829 55.6719 30.2759 175.8511 40 K 4.6560 9.3598 127.6395 54.5428 35.7507 174.8328 41 I 4.1294 8.2658 127.5939 61.3648 37.3207 175.2088 42 Y 4.5935 8.6463 123.6475 58.1140 40.1216 175.8690 43 F 4.5946 7.5860 119.0590 57.1364 43.1428 172.3037 44 L 5.4526 8.2675 127.0811 53.5270 45.7143 174.5127 45 I 5.1387 9.1371 126.6260 59.4526 40.2536 174.2561 46 K 5.0027 9.2927 128.6217 54.6648 34.8230 175.0796 47 S 5.1245 8.7120 121.4809 56.2249 65.5999 174.2244 48 K 4.1883 8.9097 118.4084 58.9151 31.7597 178.1562 49 T 4.4803 8.0102 108.1516 62.1718 71.2170 174.1326 50 D 5.0867 8.3769 120.2369 52.2391 45.5015 175.0957 51 E 4.6942 8.4490 120.2213 55.4283 33.2041 173.3186 52 Y 4.7758 9.2214 125.9653 56.5509 40.4185 174.6032 53 C 5.1150 9.1453 126.6097 57.6738 34.0442 172.7676 54 F 5.0572 9.5644 127.6174 56.6025 39.8765 175.6300 55 T 5.4071 8.9850 114.8692 58.6049 71.7290 175.0562 56 N 4.7461 9.2505 117.5942 55.2489 37.7964 176.2231 57 L 4.8385 8.2009 118.0613 55.4884 44.4435 175.9996 58 A 3.8158 7.1935 118.4601 50.7390 23.6110 174.8800 59 L 4.5222 7.9650 121.5592 53.9339 43.6917 175.3572 60 V 4.5929 8.6855 127.5465 61.5109 33.5074 173.7331 61 H 5.3195 8.9269 127.8445 54.3986 32.8757 172.1611 62 L 4.6870 8.8082 126.6659 53.3616 43.1396 174.7997 63 D 5.1932 8.4239 125.6721 52.0269 42.8060 175.6074 64 G 4.2137 8.1001 111.8298 43.9938 0.0000 172.2426 *70 S 4.4245 8.3936 111.3970 57.5413 63.4444 173.8828 71 K 4.1436 8.0907 116.8019 56.2624 32.3671 176.3577 72 R 4.7655 8.0752 118.9179 54.4816 33.5974 174.9577 73 V 3.8299 8.6356 124.4883 61.8262 32.9970 174.5732 74 L 4.5777 7.9198 127.8431 53.8785 42.8237 175.6063 75 Y 4.5880 8.6954 120.8510 56.0155 41.9359 174.6444 76 R 4.6438 7.9438 121.5317 54.9989 33.1834 174.5255 77 Y 4.3950 8.4877 124.3119 54.7450 39.0280 172.5520 78 P 4.4995 0.0000 0.0000 62.4323 32.3426 177.3079 79 Y 4.5283 8.2827 120.4255 61.3346 37.9962 178.8691 80 A 3.9792 8.2734 120.9749 54.5565 18.5574 177.3915 81 H 4.7645 7.7198 110.2637 55.7999 30.3516 174.1591 82 Y 4.6366 7.9021 116.1245 55.1551 39.3768 172.8728 83 P 4.6775 0.0000 0.0000 62.4389 32.8273 175.4112 84 I 4.8557 9.1402 124.8496 60.8401 38.6821 175.2867 85 R 4.3831 8.8783 124.3957 54.5461 35.3494 174.1939 86 H 4.1592 8.3252 114.3438 56.9940 26.3140 175.4422 87 V 4.4111 7.3285 116.1258 62.1706 32.5118 174.5833 *89 F 4.6230 8.1715 126.0561 58.0550 40.1653 173.8380 90 E 4.3830 7.0442 126.2414 54.7098 32.7438 175.1573 91 T 4.4661 8.2239 117.0881 60.7932 70.6747 173.6581 92 A 4.3696 8.3206 123.3528 51.0865 20.1557 177.7063 93 G 3.8625 8.6815 112.0600 44.8524 0.0000 175.6570 94 T 3.8468 8.5240 111.3326 63.7932 68.1773 174.4104 95 V 3.9707 7.6120 118.7261 63.6713 32.0933 175.4686 96 D 4.7500 7.7976 119.1596 54.1323 41.8669 176.1924 97 L 4.7098 8.3420 120.5611 54.9174 43.1085 175.4622 98 D 5.4819 7.9738 117.2974 51.6174 42.9853 175.1219 99 V 4.4507 8.9152 112.4306 59.4859 35.3250 174.3704 100 E 5.0396 8.5323 123.9853 54.4245 32.3906 174.1889 101 I 4.9710 8.5419 127.3703 59.3963 40.2568 174.3569 102 K 5.3034 8.4272 127.4508 54.9565 36.4451 174.7513 103 F 5.0535 7.9860 115.7747 57.4062 41.8560 172.1612 104 E 5.1503 9.3121 119.2826 54.5276 32.5212 175.1293 105 I 4.7914 8.6764 124.5354 58.8900 40.6926 174.8788 106 G 3.9572 9.0963 119.7556 47.3700 0.0000 174.9340 107 G 3.9848 8.8118 113.3337 44.7079 0.0000 172.8671 108 K 4.1153 8.0134 122.9811 56.2451 32.8081 175.1170 109 H 4.8282 8.6283 123.3899 55.3108 29.9233 174.1560 110 Y 4.3352 8.5757 120.6170 55.9542 41.2006 174.6636 111 S 4.8901 8.5035 117.5480 56.6296 65.5566 172.8727 112 I 4.4198 8.8349 128.1834 59.4600 40.1813 174.4740 113 D 5.1015 8.6948 127.7656 53.9483 42.2880 175.8155 114 V 4.9009 9.0035 122.8733 60.5523 35.7503 173.6971 115 D 4.9037 8.9914 126.2929 54.7248 41.4407 177.7305 116 K 4.0218 9.1636 126.1393 59.6090 32.7110 179.3179 117 K 4.0466 8.4959 118.8752 59.0869 32.1434 177.5489 118 Q 4.6444 8.4284 117.2813 55.7879 29.0418 176.9650 119 L 4.0207 7.8734 123.1507 58.8184 41.6364 178.7119 120 E 3.9090 8.2460 117.2251 59.4364 29.7015 178.1378 121 H 4.6222 8.5930 116.5052 58.7448 29.1252 177.9108 122 V 3.7216 7.9991 119.6506 65.5809 31.3743 177.9664 123 K 3.4226 8.2044 119.0182 59.6662 32.3363 179.0401 124 D 4.2786 7.9815 120.2641 56.9272 40.6640 178.3212 125 L 3.4606 7.4409 120.3610 57.9690 41.9743 177.9301 126 Y 3.9833 7.6549 119.4047 60.8755 38.6470 178.5089 127 K 3.2458 7.6682 118.7647 58.9434 31.8978 179.2752 128 A 3.7048 7.5053 120.8500 55.1598 18.2784 179.7058 129 L 3.3824 7.6041 117.7828 57.5212 41.5685 179.6106 130 L 3.5677 7.3136 120.1148 57.9542 42.0730 178.9725 131 A 4.0097 7.5659 120.6419 54.8950 18.2947 179.7643 132 I 2.6650 7.4642 118.3493 64.1717 37.1632 178.3414 133 A 3.9904 7.5714 122.9698 54.4337 18.0332 179.3476 134 E 3.7756 7.9290 117.5405 59.2795 29.7185 178.8350 135 K 4.0042 7.8607 119.2653 59.7554 32.2275 178.7647 136 Q 4.0495 8.0359 118.3026 58.9841 28.4013 178.0040 137 Y 3.9147 7.7057 119.2941 60.7219 39.3169 177.4088 138 E 4.1700 8.7013 120.5833 59.2147 29.5094 178.9253 139 G 3.7120 8.1305 104.9550 48.0262 0.0000 175.4393 140 Q 4.0820 8.0542 120.1934 58.1385 28.5654 178.1505 141 K 3.7382 7.2050 118.5620 56.4741 32.3664 179.1122 *143 L 4.1872 7.8744 120.2281 55.0315 43.7617 178.9211 144 E 3.8665 7.5378 118.0369 59.7595 29.2963 179.6102 145 F 4.4568 7.4955 117.1345 60.6025 38.8930 177.5302 146 A 4.3160 8.0902 119.9053 55.3726 18.3092 179.3754 147 N 4.4205 8.4871 114.9049 56.7132 38.8783 177.8250 148 S 4.1234 8.3740 116.7267 61.8915 62.9851 177.1177 149 S 4.2057 8.6975 118.2270 61.1897 62.4723 176.3546 150 L 3.5044 7.6171 122.7090 58.2603 41.7888 178.7133 151 N 4.2441 7.9151 115.9284 56.8250 38.4724 177.1159 152 H 4.2366 7.9088 117.1453 59.0190 28.7610 178.1018 153 S 4.1170 7.9678 116.8003 61.1655 62.4773 176.9337 154 V 3.5132 7.8086 121.2182 66.3069 31.1283 177.9275 155 T 3.8613 7.7701 114.1671 67.0080 68.4160 176.2503 156 I 3.8701 7.5725 119.9551 64.3548 37.2717 178.2258 157 L 4.2531 8.2940 118.0405 55.7619 41.9066 177.3891 158 G 3.5509 8.8579 107.6290 46.1344 0.0000 174.9467 159 G 3.6950 8.0904 106.4039 46.7113 0.0000 172.8564 160 L 4.3102 8.5021 131.9816 54.3076 43.0546 179.1581 161 R 4.3201 8.5983 125.3425 57.1948 34.8241 177.3172 *163 G 3.7987 8.7705 106.4493 46.8240 0.0000 171.9962 164 D 4.3167 8.4289 123.6257 54.2791 41.6063 176.2008 *166 N 4.4602 8.3266 119.9919 52.9603 39.1183 174.5413 167 V 3.6263 8.2719 122.8809 65.5548 31.6836 175.5256 168 P 4.3241 0.0000 0.0000 65.3940 31.2181 178.5043 169 Q 3.9938 8.8407 118.9656 59.5797 28.9451 178.3626 170 T 3.9198 8.2429 116.9937 66.5537 68.4406 176.4566 171 F 4.1858 8.5047 122.9398 60.9646 39.3175 177.0284 172 K 3.7106 8.1860 119.3482 59.5670 32.0700 178.3286 173 D 4.3354 8.1889 118.9563 57.3461 40.8477 178.6894 174 L 3.9171 8.1358 120.8937 58.5016 42.1293 179.3435 175 S 4.0657 7.7941 114.8345 61.2061 62.5077 176.6303 176 Q 3.9741 8.1879 122.7128 59.1874 28.8093 177.5586 177 E 4.1697 8.2232 119.7428 59.8592 29.5401 179.4520 178 S 4.1314 8.1389 112.6259 61.3794 62.3403 175.9219 179 F 4.0980 8.3799 123.2106 61.5769 39.0997 176.8049 180 D 4.3280 9.2117 119.4408 56.9655 40.5437 178.7493 181 W 4.0544 8.6141 129.0640 60.5347 30.8957 178.0561 182 L 4.0445 8.4114 119.3723 57.7911 41.0577 179.4216 183 Q 3.5377 7.9977 119.7247 58.9760 29.0406 178.1257 184 G 3.6321 8.0537 106.9698 48.4492 0.0000 175.2514 185 H 3.9386 7.9967 118.5683 58.2200 28.7739 177.2698 186 Y 4.0529 7.7338 121.5078 60.9801 38.3671 177.8111 187 Y 4.3073 7.6846 116.4380 60.6117 38.0999 177.6074 188 K 3.6582 7.6955 119.9487 58.4482 32.3054 178.0766 189 W 4.8707 7.5484 115.8638 56.2522 30.9424 176.1651 190 N 4.9884 7.4154 116.5497 51.7162 37.6561 174.8005 191 Q 4.1249 7.5630 116.1963 56.2953 29.9155 177.2423 192 K 4.2026 8.3843 119.0112 57.9285 32.9684 176.7342 193 D 5.1742 7.6161 117.4474 52.7092 42.7184 175.6269 194 F 4.9328 9.3397 125.9103 56.8206 40.2586 177.6526 195 G 3.5727 9.2447 111.6948 47.9509 0.0000 176.2310 196 S 4.1638 8.1627 115.6125 60.7202 62.8582 176.5835 197 F 3.8267 8.2075 121.7752 60.5900 38.7368 177.2653 198 Y 4.1385 7.7272 115.8421 61.1094 37.4905 177.6963 199 E 4.1718 8.3517 120.4158 59.5564 29.3851 178.9503 200 K 3.7689 7.6526 118.1459 58.9012 32.2544 177.5800 201 Y 4.5879 7.4211 115.1713 59.2721 38.9131 177.7321 202 I 4.1748 8.4249 120.6709 64.0052 37.4295 175.7065 203 N 4.5880 7.8956 120.7142 53.5578 38.3453 174.6659 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 14 D 8.36 4.57 0.00 2.71 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 15 I 8.50 3.76 1.91 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 1.31 0.55 0.96 0.00 0.00 16 G 10.01 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 17 Q 8.99 5.17 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 18 V 8.91 4.15 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 0.32 0.00 0.00 1.15 0.00 0.00 19 I 8.55 4.31 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.07 1.01 0.00 0.00 20 H 8.60 4.21 0.00 3.06 3.18 0.00 5.71 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 21 P 0.00 2.00 0.00 1.79 1.69 0.00 2.74 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 22 D 7.80 4.34 0.00 2.64 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 23 D 8.04 4.86 0.00 2.76 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 24 F 7.98 4.60 0.00 3.05 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.10 4.78 0.00 2.77 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 26 K 7.60 4.22 0.00 1.90 1.91 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.39 7.81 27 A 7.90 4.46 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 28 A 8.65 4.04 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.72 4.24 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 30 D 8.01 4.29 0.00 2.95 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 31 D 7.62 4.25 0.00 2.21 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 0.00 0.00 0.00 0.00 32 Y 7.52 4.52 0.00 3.02 2.92 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 33 V 7.14 3.79 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 0.63 0.00 0.00 0.93 0.00 0.00 34 L 9.06 4.40 0.00 1.68 1.75 0.93 1.08 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 35 H 7.94 4.16 0.00 3.19 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.28 4.01 0.00 1.94 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 2.32 2.41 0.00 37 D 8.05 4.77 0.00 2.64 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 38 G 8.20 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 39 E 8.13 4.40 0.00 2.00 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 2.29 2.53 0.00 40 K 9.36 4.66 0.00 1.84 1.65 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.65 1.19 7.81 41 I 8.27 4.13 1.26 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.51 0.16 0.00 0.00 42 Y 8.65 4.59 0.00 2.45 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.59 4.59 0.00 3.05 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 44 L 8.27 5.45 0.00 1.48 1.52 1.00 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 45 I 9.14 5.14 2.33 0.00 0.00 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 1.45 1.03 1.17 0.00 0.00 46 K 9.29 5.00 0.00 1.88 1.71 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.55 7.81 47 S 8.71 5.12 0.00 4.14 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 48 K 8.91 4.19 0.00 2.23 1.94 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.00 7.81 49 T 8.01 4.48 4.27 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 1.24 0.00 0.00 50 D 8.38 5.09 0.00 2.71 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 0.00 0.00 0.00 0.00 51 E 8.45 4.69 0.00 1.98 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 2.23 2.33 0.00 52 Y 9.22 4.78 0.00 3.19 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 53 C 9.15 5.11 0.00 2.89 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 54 F 9.56 5.06 0.00 3.08 2.87 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 55 T 8.98 5.41 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 56 N 9.25 4.75 0.00 3.32 3.48 0.00 0.00 5.80 6.67 0.00 0.00 0.00 0.00 0.00 0.00 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*70 S 8.39 4.42 0.00 3.87 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 0.00 71 K 8.09 4.14 0.00 1.75 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.45 7.81 72 R 8.08 4.77 0.00 1.54 1.67 0.00 3.30 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 73 V 8.64 3.83 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 0.31 0.00 0.00 0.83 0.00 0.00 74 L 7.92 4.58 0.00 1.39 1.16 0.92 0.82 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 75 Y 8.70 4.59 0.00 2.68 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 0.00 0.00 0.00 76 R 7.94 4.64 0.00 1.61 1.59 0.00 3.13 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 77 Y 8.49 4.39 0.00 2.76 2.44 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 78 P 0.00 4.50 0.00 2.36 2.03 0.00 4.09 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 2.32 2.18 0.00 79 Y 8.28 4.53 0.00 3.32 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 80 A 8.27 3.98 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 81 H 7.72 4.76 0.00 2.90 2.98 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.90 4.64 0.00 3.16 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 83 P 0.00 4.68 0.00 2.10 1.97 0.00 3.65 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 84 I 9.14 4.86 1.61 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.80 0.73 0.00 0.00 85 R 8.88 4.38 0.00 1.67 1.50 0.00 3.29 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 86 H 8.33 4.16 0.00 3.33 3.32 0.00 5.62 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.33 4.41 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 1.04 0.00 0.00 0.86 0.00 0.00 *89 F 8.17 4.62 0.00 1.84 2.31 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 90 E 7.04 4.38 0.00 1.83 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 91 T 8.22 4.47 4.19 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 1.19 0.00 0.00 92 A 8.32 4.37 1.27 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 0.00 0.00 93 G 8.68 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 0.00 0.00 0.00 94 T 8.52 3.85 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 95 V 7.61 3.97 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 0.96 0.00 0.00 0.93 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.11 0.00 105 I 8.68 4.79 2.12 0.00 0.00 1.00 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 1.76 0.69 0.00 0.00 106 G 9.10 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 0.00 0.00 0.00 107 G 8.81 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 0.00 0.00 0.00 108 K 8.01 4.12 0.00 1.69 1.66 0.00 1.49 0.00 0.00 1.52 0.00 0.00 2.42 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.13 1.25 7.81 109 H 8.63 4.83 0.00 2.89 3.14 0.00 5.89 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 8.58 4.34 0.00 1.79 2.06 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 0.00 111 S 8.50 4.89 0.00 3.75 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 0.00 112 I 8.83 4.42 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.29 1.98 0.00 121 H 8.59 4.62 0.00 3.60 3.65 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.00 3.72 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 1.30 0.00 0.00 1.16 0.00 0.00 123 K 8.20 3.42 0.00 1.71 2.02 0.00 1.32 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.40 7.81 124 D 7.98 4.28 0.00 3.04 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 0.00 125 L 7.44 3.46 0.00 0.36 1.28 -0.04 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 7.65 3.98 0.00 2.61 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 0.00 127 K 7.67 3.25 0.00 1.29 0.74 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.19 1.48 7.81 128 A 7.51 3.70 1.05 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 0.00 129 L 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0.00 0.00 0.00 0.00 0.00 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 E 8.70 4.17 0.00 2.36 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 2.39 0.00 139 G 8.13 3.71 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 0.00 0.00 0.00 140 Q 8.05 4.08 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.08 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 141 K 7.20 3.74 0.00 1.52 1.17 0.00 1.47 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.17 1.38 7.81 *143 L 7.87 4.19 0.00 1.79 1.73 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 144 E 7.54 3.87 0.00 1.70 1.85 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 2.20 2.37 0.00 145 F 7.50 4.46 0.00 3.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.09 4.32 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 0.00 147 N 8.49 4.42 0.00 2.90 2.91 0.00 0.00 7.04 6.63 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 0.00 148 S 8.37 4.12 0.00 3.97 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 0.00 149 S 8.70 4.21 0.00 4.17 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 0.00 150 L 7.62 3.50 0.00 1.58 1.77 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 151 N 7.92 4.24 0.00 2.85 2.80 0.00 0.00 7.12 7.59 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 0.00 152 H 7.91 4.24 0.00 3.31 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 7.97 4.12 0.00 3.90 3.80 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 0.00 154 V 7.81 3.51 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.93 0.00 0.00 155 T 7.77 3.86 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 1.21 0.00 0.00 156 I 7.57 3.87 1.84 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 1.50 0.69 0.89 0.00 0.00 157 L 8.29 4.25 0.00 1.71 1.71 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.86 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.09 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 0.00 160 L 8.50 4.31 0.00 1.62 1.41 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.60 4.32 0.00 1.77 1.41 0.00 3.30 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 0.00 *163 G 8.77 3.80 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 0.00 0.00 0.00 164 D 8.43 4.32 0.00 2.66 2.62 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 *166 N 8.33 4.46 0.00 2.76 2.79 0.00 0.00 6.69 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 V 8.27 3.63 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 1.09 0.00 0.00 0.94 0.00 0.00 168 P 0.00 4.32 0.00 2.23 2.09 0.00 3.93 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 169 Q 8.84 3.99 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 170 T 8.24 3.92 4.43 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 1.24 0.00 0.00 171 F 8.50 4.19 0.00 3.12 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 0.00 172 K 8.19 3.71 0.00 2.05 2.01 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 173 D 8.19 4.34 0.00 2.78 2.72 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 0.00 174 L 8.14 3.92 0.00 1.88 1.80 0.89 1.02 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 0.00 175 S 7.79 4.07 0.00 3.80 3.68 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 0.00 176 Q 8.19 3.97 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.72 0.00 177 E 8.22 4.17 0.00 2.22 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 2.56 2.51 0.00 178 S 8.14 4.13 0.00 3.91 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 0.00 179 F 8.38 4.10 0.00 3.30 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 0.00 180 D 9.21 4.33 0.00 2.90 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 0.00 181 W 8.61 4.05 0.00 3.50 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 0.00 182 L 8.41 4.04 0.00 1.57 1.61 0.97 0.68 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 0.00 183 Q 8.00 3.54 0.00 1.18 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 184 G 8.05 3.63 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 0.00 185 H 8.00 3.94 0.00 3.15 3.48 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 Y 7.73 4.05 0.00 3.00 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 0.00 187 Y 7.68 4.31 0.00 2.92 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.70 3.66 0.00 1.28 0.80 0.00 1.23 0.00 0.00 0.83 0.00 0.00 2.21 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 0.66 7.81 189 W 7.55 4.87 0.00 3.25 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 0.00 190 N 7.42 4.99 0.00 2.35 2.53 0.00 0.00 6.96 7.16 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 0.00 191 Q 7.56 4.12 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.44 6.97 0.00 0.00 0.00 0.00 0.00 1.84 1.28 0.00 192 K 8.38 4.20 0.00 1.69 1.89 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.37 7.81 193 D 7.62 5.17 0.00 2.58 2.46 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 0.00 194 F 9.34 4.93 0.00 2.94 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 G 9.24 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 S 8.16 4.16 0.00 3.90 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 0.00 197 F 8.21 3.83 0.00 3.15 2.98 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 0.00 198 Y 7.73 4.14 0.00 2.53 2.98 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 0.00 199 E 8.35 4.17 0.00 2.33 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 2.40 2.54 0.00 200 K 7.65 3.77 0.00 1.65 1.49 0.00 1.35 0.00 0.00 0.87 0.00 0.00 2.77 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.58 1.08 7.81 201 Y 7.42 4.59 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 0.00 202 I 8.42 4.17 2.31 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.78 1.15 0.00 0.00 203 N 7.90 4.59 0.00 2.95 2.76 0.00 0.00 6.88 7.28 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 * Residues marked with a * may have inaccurate shift predictions.