NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.0507 8.3016 109.1288 45.6101 0.0000 174.9082 *20 S 4.6668 8.7184 116.0695 57.7034 64.1912 172.0134 21 C 5.1862 7.7335 111.0044 53.9584 45.3560 173.4609 22 D 4.5770 8.5813 116.6009 53.8700 43.0198 175.5869 23 S 4.2081 9.6288 124.3268 61.0069 62.9912 175.7023 24 I 4.0776 8.1168 120.7630 63.0970 37.7201 176.4111 25 R 4.0874 7.9072 119.7854 56.8352 30.0042 177.3311 26 E 4.2399 8.5959 115.4147 58.3057 30.3333 178.2799 27 D 4.5705 8.2809 116.3978 56.8977 41.0955 176.5098 28 L 4.8263 7.5062 116.7219 51.8457 44.6159 174.2123 29 P 4.6814 0.0000 0.0000 62.9278 33.0464 176.2953 30 R 4.4363 8.5008 120.9901 57.0654 30.1792 177.9030 31 C 4.5917 8.7212 120.8391 56.8007 41.9956 173.1038 32 E 4.7910 9.3366 123.4615 54.8482 31.8967 174.7784 33 L 5.1900 8.5559 125.3600 53.3545 44.5221 175.1612 34 W 5.2306 9.7861 126.1576 54.8156 33.6152 174.3863 35 L 5.0500 8.5840 120.8936 52.9072 44.3799 174.9892 36 E 4.6990 8.8137 124.9587 54.2748 31.8960 174.5847 37 F 4.7517 8.4805 127.3540 56.7545 39.9391 175.6397 38 V 4.4635 9.0534 123.6593 61.1667 35.0162 174.1871 39 F 5.3881 10.1102 129.4367 55.9876 39.6768 174.0939 40 D 4.8689 8.2374 117.4793 51.7010 40.9203 177.1815 41 Y 4.5071 7.0995 123.8228 56.5764 39.3201 173.5842 42 N 5.1799 6.7175 122.8695 51.9986 37.0732 177.7988 *44 E 4.2764 9.2870 117.2190 54.8589 31.4790 174.7549 45 Y 3.4623 7.3203 115.0643 58.3108 36.3349 169.6777 46 A 4.6181 7.4109 119.3342 49.9646 22.4592 176.1064 47 D 4.4791 8.7144 120.6392 54.6508 41.3648 175.9833 48 A 4.8197 9.3182 129.8883 51.7401 20.0970 177.3915 49 F 4.1069 9.0584 123.4379 62.5414 39.3506 174.4649 50 N 4.8207 8.2036 118.2012 51.6316 39.4711 172.2294 51 P 4.7851 0.0000 0.0000 62.6429 31.9455 176.1384 52 Q 4.0013 7.7869 119.0282 59.3515 28.6693 177.0775 53 V 3.4543 6.9745 116.7333 61.9185 32.2909 175.5109 54 K 4.4350 8.7429 126.2159 57.4346 34.2200 176.1059 55 S 4.9696 7.4832 112.5441 57.3250 66.6552 173.5883 56 V 4.7245 9.0046 113.2121 59.6523 35.8840 174.8014 57 D 5.0816 9.1520 124.5751 52.7461 43.4463 175.2578 58 V 4.5624 8.3434 125.0611 61.2410 33.2727 174.5503 59 L 4.5847 9.1062 129.8163 53.6159 43.2138 175.9298 60 V 4.4699 8.0063 124.7574 60.9416 33.7255 174.4410 61 F 5.3115 9.1638 126.6076 55.6890 42.5662 175.4077 62 D 5.2889 8.9061 122.1370 51.9909 41.0045 177.3244 63 S 4.0664 8.3828 112.8899 60.8518 62.7540 174.5822 64 D 4.5848 8.3122 119.6349 53.7715 40.9422 176.5137 65 D 4.4486 8.3990 120.8857 55.3019 39.1461 173.9649 66 K 4.8559 7.8877 121.5379 53.2902 32.9397 179.8964 67 L 3.7967 9.1600 126.5617 55.2974 42.4765 176.9757 68 L 4.3646 8.7927 127.4028 56.0732 42.4755 176.5610 69 F 4.8071 6.8362 110.7783 56.5136 41.2214 172.0075 70 T 4.9694 8.5813 114.9812 61.6477 71.9821 173.9792 71 K 4.4516 9.0484 127.6689 54.8158 34.0079 174.5366 72 S 4.9512 8.5300 123.7638 57.4661 63.8176 174.0649 73 V 4.4864 8.7460 125.0771 60.8207 35.1885 174.8000 74 K 4.5116 8.6888 126.9233 55.7581 33.1247 177.9814 75 V 3.5780 8.3105 123.4943 66.1788 31.5427 177.9469 76 A 4.2076 8.0972 120.7619 54.8455 18.1605 177.7932 77 A 4.3707 8.3138 116.9369 52.8562 19.5015 177.4766 78 L 4.5152 8.2538 117.8070 53.5299 42.8300 176.6380 79 V 3.8843 8.8319 123.5588 64.0345 31.7096 176.6925 80 G 3.7655 9.6208 114.4669 45.9332 0.0000 174.1449 81 G 4.0897 9.5094 106.9455 45.5473 0.0000 174.7222 82 N 5.0597 7.9089 112.6738 53.1790 40.1529 173.6416 83 R 5.7343 8.4706 118.5921 53.5403 33.4714 174.1722 *85 S 3.5472 8.2870 111.7259 58.4834 63.7111 173.4245 86 L 4.6060 8.0282 121.1806 54.3416 43.2600 178.3180 87 T 3.6232 7.7634 116.4730 66.8029 68.2437 174.9202 88 D 4.5203 7.6803 116.8914 54.9565 41.4450 177.1039 89 E 4.0408 7.6580 117.9245 57.0873 30.2489 176.4297 90 L 4.6101 7.5342 119.6436 53.2439 44.7925 176.7865 91 D 4.5093 8.4353 120.9427 51.8527 40.9849 175.2807 92 F 4.6361 8.1506 116.8136 57.6994 39.4738 176.3585 93 G 3.9266 7.6670 111.9473 45.4157 0.0000 170.4461 94 S 5.1165 7.5576 115.2152 57.0005 64.9249 173.6391 95 Y 5.0588 9.3239 120.7405 56.2990 43.0341 174.0760 96 K 5.0855 8.8430 118.9480 54.7024 35.7580 175.5917 97 V 4.8607 8.8576 124.8293 61.0494 34.1653 173.6957 98 L 5.0388 8.9768 130.2587 53.6289 44.4737 175.0605 99 T 5.1266 8.4773 122.1383 61.6819 72.5433 173.0753 100 V 4.5610 8.5530 124.8019 61.1061 34.4040 174.3279 101 G 4.1921 9.1315 116.0965 45.2130 0.0000 173.5388 102 S 3.7541 8.4173 119.4905 59.2903 60.7876 174.3875 103 L 4.0582 7.3591 119.7216 55.0203 41.4976 176.2584 104 S 4.7223 8.4701 121.7596 56.5785 64.7636 174.8222 105 D 4.5372 8.5497 119.1950 55.4575 39.2751 177.1877 106 R 4.1102 7.6835 118.0102 56.6361 30.6430 175.5637 107 F 5.3985 7.8226 116.1402 55.5938 42.6111 174.8528 108 R 4.6373 9.3896 121.3351 54.7803 33.4514 173.4143 109 L 5.0903 8.7442 129.0461 54.4915 43.2811 175.4937 110 S 4.7436 8.9120 120.4047 57.8016 66.9052 173.0446 111 D 5.3923 9.0864 120.8199 52.2635 41.0320 177.3040 112 N 4.4420 8.9803 115.7881 54.7456 37.1448 175.4994 113 A 4.4023 8.4515 121.0361 51.9138 19.5993 177.7512 114 G 3.9868 8.3415 104.6407 45.1326 0.0000 173.8649 115 N 4.6897 7.9479 116.9591 51.9194 39.6264 174.8086 116 K 4.2110 8.4728 120.1477 56.5058 32.7191 177.0407 117 L 3.9671 8.4807 122.4745 54.9709 42.0673 176.9232 118 V 4.1813 8.9432 124.3161 60.1152 31.8139 173.0554 119 P 4.5294 0.0000 0.0000 64.0627 31.5094 176.9619 120 G 4.0801 9.5000 112.7769 45.4288 0.0000 173.5095 121 T 4.4132 7.5251 112.3710 65.3542 70.9182 174.8186 122 T 4.1245 8.2584 118.9861 63.9883 69.3057 173.9953 123 T 4.9179 8.3132 116.1665 59.7532 71.0731 175.2742 124 L 3.0155 8.0519 125.2265 58.3284 41.8110 179.6888 125 Q 3.2313 7.3705 114.7035 57.9054 28.8665 177.2822 126 Q 4.3553 7.8036 115.8633 56.2499 29.5014 175.4756 127 V 4.5912 7.8381 119.7008 62.6932 32.2170 175.3177 128 I 5.1053 9.0176 120.3288 59.2141 41.6866 174.0903 129 V 4.9563 8.9557 123.6416 61.4987 33.9737 174.3947 130 S 5.4018 9.2460 124.2530 56.4606 66.3256 173.1913 131 L 4.3202 8.9790 126.9122 54.5573 42.4414 176.5865 132 K 4.3562 8.8543 127.7406 56.3537 32.2885 176.9041 133 R 4.8323 8.3243 120.2479 54.9154 32.6934 175.7622 134 E 4.3774 8.4862 120.9788 56.5858 30.9857 176.1152 135 T 4.2508 8.3602 115.9670 63.0686 68.9371 176.9880 136 G 3.7854 8.4862 112.5763 44.2650 0.0000 173.2368 137 G 3.5125 8.2475 107.8618 45.2739 0.0000 173.9839 138 V 3.7285 8.7961 123.4780 62.4979 30.3231 175.7413 139 N 5.4927 8.9384 125.6715 51.3787 37.7229 173.9536 140 F 5.0227 7.4938 111.8945 55.6839 41.0980 173.2829 141 E 4.0653 8.5727 121.9941 54.3774 30.5990 175.1328 142 F 5.1805 8.0472 119.9849 54.7081 40.7426 175.1137 143 Q 4.2453 8.7978 121.5663 55.9327 29.2852 175.8706 144 H 4.2634 8.6743 117.6954 56.5204 29.5511 174.3297 145 L 4.4732 8.4544 123.8119 53.2942 44.6288 174.4734 146 Y 5.0637 8.7579 123.5557 56.0926 41.0410 174.3511 147 F 5.0343 9.7096 125.8777 56.2638 42.8645 173.8060 148 G 4.4470 8.5728 113.7902 44.2079 0.0000 172.5651 149 E 4.7472 9.0840 125.9037 55.8282 30.5556 177.3783 150 V 3.8813 8.6198 121.1827 64.1566 32.1686 175.1942 151 V 4.3844 8.6839 127.5046 60.9993 33.8348 174.2162 152 E 4.5718 8.8878 128.0836 56.2910 30.0764 176.4060 153 V 3.5413 8.7681 119.0563 59.1452 34.6005 174.6271 154 D 5.3675 9.0630 124.8806 52.8230 43.4438 174.9465 155 H 5.1572 9.5640 124.5124 54.6980 31.7209 172.7883 156 L 5.1388 8.6842 125.5785 52.3923 44.1740 175.2715 157 P 3.7416 0.0000 0.0000 65.4305 31.8075 176.6479 158 S 4.6779 7.0789 112.2287 56.4358 66.4424 174.4572 159 N 4.1935 8.6655 113.4178 55.7219 36.7118 172.5910 160 T 4.5388 7.2849 110.0084 61.0713 70.4117 170.9917 161 N 4.9425 8.2645 116.9117 51.2008 42.4551 173.7313 162 H 4.4862 8.6054 116.7933 56.3937 29.3720 175.4677 163 K 4.1036 9.1912 124.2109 55.9879 33.2823 176.1955 164 I 4.8312 8.1024 126.0079 59.6030 38.8648 173.6168 165 Y 4.3815 9.0595 125.5757 56.2309 39.1126 173.4403 166 P 4.6001 0.0000 0.0000 62.6885 32.4953 176.8123 167 V 4.1966 8.9945 125.2181 61.0479 32.2644 172.2368 168 N 5.1877 8.4617 123.9106 52.3515 39.4293 173.9442 169 L 4.8631 9.2281 127.4125 54.2474 43.3493 176.1619 170 I 4.7755 8.9729 122.8634 59.3077 40.8095 174.3499 171 R 4.4241 8.9750 129.7188 55.6322 29.8413 175.7148 172 D 4.5614 8.8866 127.7031 55.8713 41.3523 176.7456 173 T 5.0035 7.6403 108.2184 60.0122 71.6050 173.6919 174 N 5.4029 9.0459 119.8711 51.8306 43.1398 173.3612 175 R 4.8036 9.6943 123.2944 54.7317 32.7407 175.1467 176 F 5.1447 9.5390 123.1714 55.9068 41.7001 174.2991 177 N 5.1711 9.5465 122.9235 52.0622 39.8560 174.2628 178 L 5.4992 9.5391 124.2031 53.0599 45.5699 175.7175 179 A 5.2417 9.1599 122.6732 50.6588 23.1322 174.9390 180 L 5.4598 8.2178 121.5775 52.2225 46.1585 175.1061 *182 G 4.4110 8.3424 107.7062 46.0806 0.0000 171.9799 183 Y 4.3966 9.0243 125.9707 58.5446 39.9216 176.1982 184 E 3.5249 8.9226 127.2206 57.6365 28.3756 175.0430 185 E 4.5217 9.1460 121.1820 56.6677 30.9784 175.2929 186 N 4.4698 8.4498 121.1674 53.4384 38.3981 175.4748 187 K 4.4582 8.6904 128.2825 54.8904 32.5897 174.0396 188 V 4.8639 8.0670 119.6315 58.1745 35.3738 173.2617 189 D 4.4434 9.1037 124.8801 55.9930 41.3112 175.5969 190 G 4.4081 8.7381 107.5423 46.0245 0.0000 174.9107 191 T 4.1343 7.7218 106.6227 62.8257 69.2968 174.8720 192 Q 4.1698 7.9355 120.7240 56.4345 29.3944 174.2833 193 Y 5.4052 7.3927 114.1947 56.2064 41.7292 174.9832 194 T 4.6333 9.1548 111.6731 60.0164 72.3726 172.7772 195 F 5.6788 8.3499 121.1592 56.3612 41.9288 174.4559 196 E 4.7894 7.6286 116.3622 55.7835 33.4493 174.2911 197 I 4.7613 8.5082 121.8854 59.6439 40.4566 174.2746 198 Q 4.8861 9.0241 129.2943 54.7212 30.4742 174.0221 199 A 4.6532 8.9525 128.9711 48.5920 21.9728 174.7851 200 P 4.4411 0.0000 0.0000 60.8579 30.7162 173.7963 201 E 4.9510 7.3757 116.0409 56.4300 31.7428 175.3753 202 N 4.7758 8.2792 112.2619 51.6907 37.8865 174.3833 203 A 4.0034 8.3267 120.1934 53.6423 16.9898 177.2076 204 V 4.8904 7.1486 116.7340 62.9518 34.5731 173.7107 205 Y 5.0207 9.1260 126.2924 56.0575 41.0285 176.3834 206 S 5.1288 8.9119 119.4976 57.1891 64.8927 174.9239 207 W 4.5250 9.1574 116.0460 59.3863 27.7702 176.6594 208 E 3.5633 6.9466 116.0478 55.6461 29.2121 175.4034 209 N 3.5160 7.4046 116.3065 54.3799 37.6508 173.1707 210 E 4.7963 7.3541 114.9508 53.0852 31.6933 174.2650 211 P 4.1750 0.0000 0.0000 63.1333 31.7945 176.5471 212 T 4.2817 8.2178 111.6267 62.1301 69.8389 174.7172 213 G 4.0921 7.3062 110.0963 44.7413 0.0000 173.7346 214 Q 3.9691 8.4536 118.4610 55.5048 30.5233 178.1298 215 G 3.8009 7.7829 105.7453 45.0513 0.0000 175.3862 216 P 4.6530 0.0000 0.0000 62.1971 32.4389 173.8125 217 I 4.4897 8.4724 119.4092 59.3356 41.7265 173.8663 218 T 4.8907 8.0557 123.5571 61.9695 71.4557 172.3546 219 Y 4.9733 9.0932 125.0346 56.6533 39.2740 175.0535 220 V 4.7634 8.8742 124.3285 60.0214 35.1631 173.0547 221 P 4.6561 0.0000 0.0000 63.2556 31.3851 175.8975 222 Y 4.8809 8.3033 120.6057 57.1018 39.4307 175.0661 223 Y 4.8794 7.3144 121.1083 56.1587 42.6535 173.8362 224 T 4.5654 7.7921 121.7240 61.7425 71.9326 173.2952 225 G 4.4184 8.7624 113.3347 42.0856 0.0000 173.0648 226 P 4.6255 0.0000 0.0000 62.9000 31.1132 177.4806 *231 D 4.5588 8.5677 113.4650 52.8915 42.0487 172.7191 232 V 3.9725 7.7316 116.9346 63.6504 31.4014 175.6873 233 V 3.9459 8.5990 120.7371 62.5213 31.9954 176.2557 *235 S 4.6636 7.9382 115.5303 58.5026 63.9568 172.1335 236 A 5.1818 9.1877 125.6741 50.9159 23.1498 175.3309 237 R 5.1857 9.2211 119.8417 54.3038 33.8935 174.7676 238 L 5.3544 8.9278 123.1267 53.9904 44.8180 174.7843 239 N 5.6013 8.7002 115.5424 51.4044 39.9476 174.3929 240 T 3.2099 8.7551 113.0863 60.9091 72.3061 173.0842 *242 R 4.3198 8.5310 118.9765 56.2220 31.6778 175.7866 243 L 4.1139 8.5587 122.5740 53.0475 41.8294 175.6644 244 L 4.5442 8.3527 124.2242 52.6514 43.0070 177.2810 245 N 4.6207 8.9124 124.3411 52.5155 37.6905 174.0011 246 R 4.5585 7.7243 121.9058 53.1825 34.3582 174.8142 247 S 4.3573 8.4864 114.7020 60.0043 62.4406 174.5491 248 G 3.9701 9.2358 116.1886 45.1563 0.0000 172.6704 249 W 4.4956 8.1279 119.7321 55.5130 28.9927 175.7955 250 D 4.9432 8.4760 124.8262 52.8951 41.5807 175.6776 251 Y 4.6910 8.7502 122.3426 57.0728 39.6549 174.9947 252 K 5.1706 9.3436 123.6225 54.5290 36.4072 174.8569 253 F 4.9538 9.3757 127.1624 56.7823 41.1928 174.2870 254 I 4.9635 8.0953 127.2119 59.5554 40.2993 174.4994 255 I 5.1362 9.0398 127.8101 59.8908 39.3816 175.0204 256 R 5.2059 8.8504 125.4485 54.0050 34.1356 174.5712 257 D 4.6161 8.9542 122.2902 54.1717 41.5261 176.6905 258 A 3.8913 8.6282 129.3812 55.4848 18.4041 178.6618 259 N 4.3379 8.3297 111.5441 56.3346 38.7643 176.1480 260 T 4.0576 8.0374 113.8079 62.1651 67.9350 175.8693 261 E 4.0159 8.3361 115.1217 56.7735 27.9667 179.0789 262 A 4.5708 7.1838 121.4828 51.6000 20.4902 177.4503 263 E 4.3950 8.8371 123.2315 56.8641 29.6214 176.7345 264 V 4.4329 8.9781 119.9384 61.6293 34.1008 175.7487 265 W 5.3229 8.0826 128.5835 56.5156 34.0821 173.0902 266 S 4.8634 7.7000 118.8633 57.1723 65.1809 172.2350 267 Y 4.4291 8.5044 125.8023 55.5082 42.9438 173.3503 268 N 4.8320 8.2736 123.1592 53.0409 40.2947 176.6490 269 L 4.5378 8.6974 131.5566 55.4271 41.8506 179.1834 *271 T 4.4213 8.0385 114.0915 63.3123 70.1374 176.5249 272 L 4.1167 7.9910 120.6550 57.6878 41.7373 179.1543 273 L 4.1817 8.1615 117.1423 56.2502 42.1918 177.9678 274 S 4.4086 7.9183 113.3176 59.7055 63.5823 174.3958 275 I 3.5571 7.2158 122.6721 62.2409 37.0370 175.3232 276 A 3.7934 8.7291 126.3749 52.7661 16.2123 177.2849 277 R 4.0931 7.2892 112.8937 56.1541 30.1572 174.8260 278 P 4.3394 0.0000 0.0000 63.0735 32.1339 176.5659 279 V 4.3020 8.2985 112.3221 61.0484 32.7590 175.1303 280 S 5.0476 7.5791 115.6123 56.4212 65.9142 174.2009 281 R 4.1561 8.8966 123.4271 54.8859 30.7433 177.1343 282 Y 3.7548 6.5927 119.5987 60.5327 38.6625 176.1680 283 D 4.5069 7.8407 116.4438 53.2587 39.8602 177.0812 284 G 3.8806 7.9082 109.3604 45.4919 0.0000 174.3408 285 T 4.0772 7.7856 110.2991 60.7881 69.5803 173.4505 286 E 4.2594 8.6061 123.9335 57.0079 30.3049 176.1974 287 L 4.5742 8.8162 129.6729 52.8386 42.4636 174.2161 288 P 4.4631 0.0000 0.0000 62.6045 32.4017 177.5652 289 F 4.5472 9.1453 123.9174 61.7457 39.3716 177.3820 290 Q 3.7959 8.1837 118.7439 59.1135 28.9347 177.5963 291 E 4.0203 8.2597 119.9353 59.3196 29.7040 177.9944 292 Y 4.1542 8.2069 119.6058 60.7961 38.7075 178.0108 293 L 4.1202 7.7397 118.5694 57.8540 41.7067 179.1086 294 D 4.5364 7.8892 117.7775 57.4454 40.9435 178.7640 295 R 4.0717 8.0307 120.2823 57.5279 30.0847 176.9556 296 Q 3.8022 7.5587 119.8575 55.5073 29.4770 175.2808 297 S 4.8869 7.9833 116.8442 56.4031 65.7232 172.5372 298 E 4.7713 7.3632 119.9528 54.2800 31.1866 174.8566 299 W 4.7117 9.2784 127.7556 54.7674 32.4359 174.7845 300 N 5.5370 8.8084 119.6492 51.5350 41.4538 173.8770 301 L 4.2945 9.1533 123.2551 52.9621 45.5257 175.7348 302 V 4.5421 7.8493 124.8337 61.1050 33.7452 174.0685 303 F 4.9307 9.2138 127.8692 56.1320 40.7978 174.8026 304 T 4.5552 8.7232 118.3970 60.4284 69.5930 173.3085 305 V 4.6310 8.3366 120.3550 59.5323 36.8195 174.5142 306 V 4.7078 8.5727 122.3167 61.0984 33.5396 174.9435 307 E 4.8290 9.0850 127.7079 56.4304 30.6656 176.1979 308 K 4.5612 8.5284 123.7031 54.6389 34.2156 176.7968 309 N 4.3197 9.2090 124.2903 56.5873 38.8280 176.5833 310 G 3.7796 8.3759 105.7826 47.3733 0.0000 174.0809 311 G 4.3325 7.1069 117.0802 46.0808 0.0000 174.1620 312 G 3.9638 7.1601 118.2211 45.0963 0.0000 174.0226 313 F 5.4389 8.3236 122.8163 55.4660 42.2763 174.7759 314 L 4.3220 9.0498 125.7731 57.5872 42.2659 177.4450 315 Q 4.5434 7.8687 118.4919 54.7860 32.7120 173.2471 316 I 4.8765 8.2885 124.8610 59.8136 41.7104 173.4657 317 G 4.3444 8.8621 114.6909 44.9504 0.0000 171.1563 318 I 4.4899 7.9243 114.4368 58.6539 39.7317 174.9979 319 V 3.9964 8.5009 128.1708 62.4036 32.1822 175.6816 320 V 4.1409 8.9005 129.1610 61.4471 33.6577 177.7471 321 G 3.6422 8.8300 121.2785 46.8815 0.0000 173.2845 322 T 4.2154 8.3979 118.1108 61.2966 69.0074 172.8880 323 W 4.9942 7.6996 120.9675 55.8727 30.9935 174.6538 324 I 4.4330 7.9891 120.8217 59.9143 39.0584 175.4482 325 H 4.5510 8.1927 124.4818 53.6772 29.1829 173.6686 326 W 4.7483 8.3082 123.0052 56.5072 29.9128 175.4897 327 L 4.9225 9.0283 124.9983 53.5886 42.5394 176.1933 328 H 4.8604 8.9942 118.2088 54.3760 31.2264 171.2648 329 G 3.5601 8.5135 113.4867 45.2898 0.0000 174.0000 *331 E 4.1323 8.3876 123.7458 56.4714 29.8927 176.1691 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 0 G 8.30 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 *20 S 8.72 4.67 0.00 4.00 3.91 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 21 C 7.73 5.19 0.00 3.10 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.58 4.58 0.00 2.64 2.55 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 23 S 9.63 4.21 0.00 3.73 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 24 I 8.12 4.08 1.93 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 1.32 0.35 0.91 0.00 0.00 25 R 7.91 4.09 0.00 2.17 1.93 0.00 3.14 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.19 0.00 26 E 8.60 4.24 0.00 2.01 1.90 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 2.22 1.90 0.00 27 D 8.28 4.57 0.00 2.64 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 28 L 7.51 4.83 0.00 1.60 1.55 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.68 0.00 2.23 2.24 0.00 3.88 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 2.21 2.07 0.00 30 R 8.50 4.44 0.00 1.62 1.76 0.00 3.27 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.00 31 C 8.72 4.59 0.00 3.09 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 32 E 9.34 4.79 0.00 2.23 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 2.46 2.63 0.00 33 L 8.56 5.19 0.00 1.73 1.33 1.21 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 34 W 9.79 5.23 0.00 3.28 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 35 L 8.58 5.05 0.00 1.14 0.88 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.81 4.70 0.00 1.87 1.65 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 2.04 2.11 0.00 37 F 8.48 4.75 0.00 1.53 2.36 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 38 V 9.05 4.46 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 0.87 0.00 0.00 0.87 0.00 0.00 39 F 10.11 5.39 0.00 3.20 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 40 D 8.24 4.87 0.00 2.69 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 41 Y 7.10 4.51 0.00 2.92 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 42 N 6.72 5.18 0.00 2.74 1.83 0.00 0.00 6.71 7.66 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 *44 E 9.29 4.28 0.00 2.07 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 2.17 2.38 0.00 45 Y 7.32 3.46 0.00 3.12 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 46 A 7.41 4.62 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 47 D 8.71 4.48 0.00 2.62 2.61 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 48 A 9.32 4.82 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 49 F 9.06 4.11 0.00 3.27 3.15 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 50 N 8.20 4.82 0.00 2.78 2.75 0.00 0.00 6.80 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 51 P 0.00 4.79 0.00 2.14 2.04 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 52 Q 7.79 4.00 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 53 V 6.97 3.45 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 0.00 0.00 0.42 0.00 0.00 -0.24 0.00 0.00 54 K 8.74 4.43 0.00 1.63 1.76 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.49 7.81 55 S 7.48 4.97 0.00 3.89 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 56 V 9.00 4.72 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.55 0.00 0.00 57 D 9.15 5.08 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.34 4.56 2.14 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 1.01 0.00 0.00 1.10 0.00 0.00 59 L 9.11 4.58 0.00 1.83 1.14 1.00 0.78 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 60 V 8.01 4.47 0.67 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 0.56 0.00 0.00 0.26 0.00 0.00 61 F 9.16 5.31 0.00 2.99 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 62 D 8.91 5.29 0.00 2.93 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 63 S 8.38 4.07 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 64 D 8.31 4.58 0.00 2.86 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 65 D 8.40 4.45 0.00 2.78 2.59 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 66 K 7.89 4.86 0.00 1.68 1.68 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.42 0.99 7.81 67 L 9.16 3.80 0.00 1.79 1.55 0.27 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.79 4.36 0.00 1.41 1.85 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 69 F 6.84 4.81 0.00 2.93 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 70 T 8.58 4.97 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 1.23 0.00 0.00 71 K 9.05 4.45 0.00 2.05 1.79 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.40 7.81 72 S 8.53 4.95 0.00 3.80 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 73 V 8.75 4.49 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 0.90 0.00 0.00 0.95 0.00 0.00 74 K 8.69 4.51 0.00 1.82 1.69 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.35 7.81 75 V 8.31 3.58 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 0.84 0.00 0.00 0.70 0.00 0.00 76 A 8.10 4.21 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 77 A 8.31 4.37 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 78 L 8.25 4.52 0.00 1.96 1.97 1.18 1.00 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 79 V 8.83 3.88 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 0.82 0.00 0.00 1.25 0.00 0.00 80 G 9.62 3.77 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 0.00 0.00 0.00 81 G 9.51 4.09 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 0.00 0.00 0.00 82 N 7.91 5.06 0.00 2.77 3.08 0.00 0.00 5.97 7.66 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 83 R 8.47 5.73 0.00 2.04 2.09 0.00 2.74 0.00 0.00 2.85 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 *85 S 8.29 3.55 0.00 3.21 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 86 L 8.03 4.61 0.00 1.52 1.53 0.86 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.76 3.62 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 1.19 0.00 0.00 88 D 7.68 4.52 0.00 2.52 2.59 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 89 E 7.66 4.04 0.00 1.97 1.61 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 2.08 2.13 0.00 90 L 7.53 4.61 0.00 1.32 1.14 0.31 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.44 4.51 0.00 2.70 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 92 F 8.15 4.64 0.00 3.10 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 93 G 7.67 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 7.56 5.12 0.00 3.60 3.69 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 95 Y 9.32 5.06 0.00 2.74 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 96 K 8.84 5.09 0.00 1.74 1.70 0.00 1.67 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.34 7.81 97 V 8.86 4.86 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 0.95 0.00 0.00 0.85 0.00 0.00 98 L 8.98 5.04 0.00 2.02 1.77 1.07 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.48 5.13 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 1.28 0.00 0.00 100 V 8.55 4.56 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 1.06 0.00 0.00 0.82 0.00 0.00 101 G 9.13 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 0.00 0.00 0.00 0.00 102 S 8.42 3.75 0.00 4.30 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 0.00 103 L 7.36 4.06 0.00 1.57 1.77 1.00 0.92 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 0.00 104 S 8.47 4.72 0.00 4.16 4.13 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 0.00 0.00 0.00 0.00 105 D 8.55 4.54 0.00 2.79 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 0.00 106 R 7.68 4.11 0.00 1.84 1.76 0.00 2.57 0.00 0.00 2.84 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 107 F 7.82 5.40 0.00 3.00 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 0.00 108 R 9.39 4.64 0.00 1.82 1.77 0.00 3.10 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 109 L 8.74 5.09 0.00 1.75 1.62 1.08 0.95 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 0.00 110 S 8.91 4.74 0.00 4.16 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 9.09 5.39 0.00 2.82 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 0.00 112 N 8.98 4.44 0.00 2.89 3.05 0.00 0.00 6.84 6.65 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 0.00 113 A 8.45 4.40 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 0.00 114 G 8.34 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 7.95 4.69 0.00 3.21 2.76 0.00 0.00 7.07 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 0.00 116 K 8.47 4.21 0.00 1.76 1.78 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.50 7.81 117 L 8.48 3.97 0.00 1.65 1.65 0.97 0.95 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 0.00 118 V 8.94 4.18 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 1.08 0.00 0.00 1.02 0.00 0.00 119 P 0.00 4.53 0.00 2.09 2.20 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 120 G 9.50 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 0.00 121 T 7.53 4.41 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 0.00 122 T 8.26 4.12 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 1.30 0.00 0.00 123 T 8.31 4.92 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 1.25 0.00 0.00 124 L 8.05 3.02 0.00 0.56 1.05 0.38 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 7.37 3.23 0.00 1.82 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.68 0.00 0.00 0.00 0.00 0.00 2.03 1.41 0.00 126 Q 7.80 4.36 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 127 V 7.84 4.59 2.39 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 0.95 0.00 0.00 1.28 0.00 0.00 128 I 9.02 5.11 1.97 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 1.29 0.76 1.00 0.00 0.00 129 V 8.96 4.96 2.32 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 1.15 0.00 0.00 1.17 0.00 0.00 130 S 9.25 5.40 0.00 3.82 3.77 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 0.00 131 L 8.98 4.32 0.00 1.66 1.77 0.29 0.65 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 0.00 132 K 8.85 4.36 0.00 1.49 1.67 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.35 7.81 133 R 8.32 4.83 0.00 2.05 2.13 0.00 3.04 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 134 E 8.49 4.38 0.00 2.00 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 2.31 2.36 0.00 135 T 8.36 4.25 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 0.00 136 G 8.49 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.25 3.51 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 0.00 138 V 8.80 3.73 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 0.52 0.00 0.00 0.79 0.00 0.00 139 N 8.94 5.49 0.00 2.95 3.01 0.00 0.00 6.24 8.12 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 0.00 140 F 7.49 5.02 0.00 3.08 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 0.00 141 E 8.57 4.07 0.00 1.16 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 1.84 1.48 0.00 142 F 8.05 5.18 0.00 3.21 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 0.00 143 Q 8.80 4.25 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 144 H 8.67 4.26 0.00 2.99 2.66 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.45 4.47 0.00 0.85 0.93 0.53 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 146 Y 8.76 5.06 0.00 3.02 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 0.00 147 F 9.71 5.03 0.00 3.04 2.76 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 0.00 148 G 8.57 4.45 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 0.00 0.00 0.00 149 E 9.08 4.75 0.00 1.96 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 2.50 2.47 0.00 150 V 8.62 3.88 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 0.81 0.00 0.00 1.22 0.00 0.00 151 V 8.68 4.38 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 0.93 0.00 0.00 1.06 0.00 0.00 152 E 8.89 4.57 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 153 V 8.77 3.54 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.92 0.00 0.00 154 D 9.06 5.37 0.00 2.72 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 0.00 155 H 9.56 5.16 0.00 3.39 3.60 0.00 5.72 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.68 5.14 0.00 1.53 1.46 0.99 1.12 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 0.00 157 P 0.00 3.74 0.00 1.75 0.76 0.00 3.36 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.34 0.00 158 S 7.08 4.68 0.00 3.59 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 0.00 159 N 8.67 4.19 0.00 2.75 2.83 0.00 0.00 6.65 7.70 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 0.00 160 T 7.28 4.54 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 0.00 161 N 8.26 4.94 0.00 2.67 2.65 0.00 0.00 6.81 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 0.00 162 H 8.61 4.49 0.00 3.09 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 K 9.19 4.10 0.00 1.85 1.63 0.00 1.50 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.93 7.81 164 I 8.10 4.83 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.83 0.00 0.00 165 Y 9.06 4.38 0.00 2.88 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 0.00 166 P 0.00 4.60 0.00 1.94 1.96 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 167 V 8.99 4.20 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 1.08 0.00 0.00 0.81 0.00 0.00 168 N 8.46 5.19 0.00 2.79 2.73 0.00 0.00 7.27 7.78 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 0.00 169 L 9.23 4.86 0.00 1.91 1.87 1.17 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 170 I 8.97 4.78 1.91 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 1.26 1.25 1.12 0.00 0.00 171 R 8.98 4.42 0.00 1.59 1.89 0.00 3.13 0.00 0.00 2.91 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.00 172 D 8.89 4.56 0.00 2.44 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 0.00 173 T 7.64 5.00 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 174 N 9.05 5.40 0.00 2.89 2.93 0.00 0.00 7.00 7.75 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 0.00 175 R 9.69 4.80 0.00 1.89 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.47 0.00 185 E 9.15 4.52 0.00 1.87 1.91 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 2.19 2.33 0.00 186 N 8.45 4.47 0.00 2.97 2.86 0.00 0.00 7.14 6.41 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 0.00 187 K 8.69 4.46 0.00 1.77 1.60 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.00 7.81 188 V 8.07 4.86 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 0.91 0.00 0.00 0.93 0.00 0.00 189 D 9.10 4.44 0.00 2.66 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 0.00 190 G 8.74 4.41 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 0.00 191 T 7.72 4.13 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 1.19 0.00 0.00 192 Q 7.94 4.17 0.00 1.75 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.20 0.00 193 Y 7.39 5.41 0.00 2.76 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 0.00 194 T 9.15 4.63 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 1.16 0.00 0.00 195 F 8.35 5.68 0.00 2.96 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 0.00 196 E 7.63 4.79 0.00 2.02 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 0.00 2.22 2.11 0.00 197 I 8.51 4.76 1.83 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.45 0.96 0.00 0.00 198 Q 9.02 4.89 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 199 A 8.95 4.65 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 0.00 200 P 0.00 4.44 0.00 1.66 1.83 0.00 2.31 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 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0.00 0.00 0.00 7.17 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 291 E 8.26 4.02 0.00 2.18 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 2.22 2.36 0.00 292 Y 8.21 4.15 0.00 3.14 3.31 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 0.00 293 L 7.74 4.12 0.00 1.65 1.51 0.21 0.41 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 0.00 294 D 7.89 4.54 0.00 2.95 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 0.00 295 R 8.03 4.07 0.00 1.57 1.55 0.00 2.80 0.00 0.00 2.59 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.67 0.00 296 Q 7.56 3.80 0.00 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.72 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 297 S 7.98 4.89 0.00 3.79 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 0.00 298 E 7.36 4.77 0.00 1.81 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 2.12 2.20 0.00 299 W 9.28 4.71 0.00 2.29 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 0.00 300 N 8.81 5.54 0.00 2.53 2.67 0.00 0.00 6.75 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 0.00 301 L 9.15 4.29 0.00 1.38 0.74 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 302 V 7.85 4.54 1.92 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 0.83 0.00 0.00 0.87 0.00 0.00 303 F 9.21 4.93 0.00 2.93 2.59 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 0.00 304 T 8.72 4.56 4.20 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 1.00 0.00 0.00 305 V 8.34 4.63 1.64 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 -0.34 0.00 0.00 0.81 0.00 0.00 306 V 8.57 4.71 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 1.13 0.00 0.00 1.02 0.00 0.00 307 E 9.09 4.83 0.00 2.01 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 2.59 2.51 0.00 308 K 8.53 4.56 0.00 1.87 1.56 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.42 7.81 309 N 9.21 4.32 0.00 2.76 2.90 0.00 0.00 6.94 7.65 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 0.00 310 G 8.38 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 0.00 311 G 7.11 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 0.00 0.00 0.00 0.00 312 G 7.16 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 0.00 313 F 8.32 5.44 0.00 2.94 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 0.00 314 L 9.05 4.32 0.00 1.54 1.73 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 315 Q 7.87 4.54 0.00 1.93 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 1.40 1.84 0.00 316 I 8.29 4.88 1.16 0.00 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.77 0.54 0.00 0.00 317 G 8.86 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 0.00 0.00 0.00 318 I 7.92 4.49 1.41 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.51 0.27 0.00 0.00 319 V 8.50 4.00 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 0.65 0.00 0.00 0.81 0.00 0.00 320 V 8.90 4.14 2.24 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 0.96 0.00 0.00 0.89 0.00 0.00 321 G 8.83 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 0.00 322 T 8.40 4.22 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 323 W 7.70 4.99 0.00 3.48 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 0.00 324 I 7.99 4.43 1.13 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 1.04 0.45 -1.03 0.00 0.00 325 H 8.19 4.55 0.00 2.99 3.19 0.00 5.62 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 0.00 326 W 8.31 4.75 0.00 3.21 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 0.00 327 L 9.03 4.92 0.00 1.61 1.41 0.83 0.80 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 0.00 328 H 8.99 4.86 0.00 3.21 3.36 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 329 G 8.51 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *331 E 8.39 4.13 0.00 2.00 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 2.29 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.