NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4705 8.3193 115.3276 58.2381 62.4902 172.2336 3 F 5.1380 7.5726 120.8879 53.4230 42.1367 171.5779 4 T 4.8604 9.1952 110.1141 59.8876 71.9334 174.2719 5 V 4.7860 8.8612 125.8901 62.0749 33.3996 174.5116 6 I 4.9774 8.6659 128.0458 59.6697 40.5182 174.3702 7 I 4.6380 9.1928 129.1766 58.8577 39.0329 173.3658 8 P 4.6410 0.0000 0.0000 62.7624 31.2706 174.6597 9 A 4.4734 9.3809 126.6750 50.8466 19.6538 177.7068 10 R 4.7302 7.9458 113.3816 57.4407 28.3963 177.5193 *27 K 4.3031 7.8489 116.0809 55.8627 34.9842 175.9001 28 P 4.5758 0.0000 0.0000 62.0841 30.6847 178.5091 *30 I 4.1362 8.4950 123.5030 62.5401 39.0705 177.5239 31 Q 3.3448 7.9268 120.6171 59.2709 28.6792 177.7141 32 H 4.2220 8.0818 116.6193 58.7285 28.6596 177.6138 33 V 3.7137 7.7721 119.7081 65.3322 31.5078 177.6799 34 F 4.2766 8.0153 120.3520 61.5564 39.3634 177.1139 35 E 3.9323 8.5110 118.0375 59.0410 28.8113 179.5535 36 K 3.9943 7.7071 118.2326 59.2090 31.9543 179.2104 37 A 4.1290 7.7442 120.1771 54.8914 18.3692 179.5056 38 L 3.9444 7.5649 118.0103 57.6951 41.5724 178.7964 39 Q 4.3852 7.9320 115.4412 56.8693 28.5375 177.1965 40 S 4.7124 7.4863 114.6276 59.2465 63.7349 174.9575 41 G 3.9210 7.9872 110.9899 44.6501 0.0000 173.7624 42 A 2.7981 6.8227 120.9439 52.5512 18.7966 178.0432 43 S 4.2664 8.2467 118.1222 60.9706 63.6877 175.0204 44 R 4.6761 7.5936 118.0149 54.5026 33.8716 174.0761 45 V 4.9772 8.4284 123.8082 61.3167 34.3121 174.3719 46 I 4.7576 9.3627 128.8053 59.6384 40.7347 174.9006 47 I 4.8002 8.8018 127.6353 59.7119 38.6012 174.3650 48 A 4.8909 8.8315 130.6012 51.4797 19.6543 176.0201 49 T 4.8800 8.3753 116.7531 60.6295 71.2570 172.9508 50 D 5.1555 8.6366 123.2083 52.0465 40.0335 174.6432 51 N 5.1755 7.7418 117.9309 51.7508 42.1614 174.5219 52 E 3.9028 8.7350 127.7748 59.3302 29.8081 178.6677 53 N 4.2838 9.0118 116.8850 56.3427 38.6665 177.5194 54 V 3.5594 7.9914 118.8176 66.0547 31.4795 177.7345 55 A 3.9646 7.9859 119.4331 55.0685 18.1244 178.8303 56 D 4.3131 8.2399 117.0462 57.4570 41.3183 178.6168 57 V 3.7994 8.3353 120.0391 64.8589 31.4342 177.6852 58 A 2.8811 7.8139 120.3725 53.6569 18.0269 178.6503 59 K 3.9737 6.9630 113.5063 56.9356 32.4011 178.3098 60 S 4.2275 7.2733 116.9377 61.0855 62.9858 176.2645 61 F 4.6383 7.0241 113.0426 56.6356 38.7001 175.6496 62 G 3.8248 7.8896 104.9893 47.9901 0.0000 173.9207 63 A 4.5775 7.4250 118.4229 49.3106 21.7197 177.8263 64 E 4.0279 8.8595 123.1552 56.3426 30.9799 175.6080 65 V 4.8073 8.2988 125.6559 61.5400 34.4535 174.0664 66 C 5.0153 8.2956 127.3028 58.1561 35.0170 172.5761 *68 T 4.2188 8.3272 106.2588 61.3919 69.4996 172.9619 69 S 4.2244 9.1242 116.8801 58.3212 62.7570 174.6367 70 V 3.9999 8.1212 117.2298 63.1057 32.3167 176.8011 71 N 4.6927 7.6195 119.8729 52.1641 37.0748 175.1631 72 H 4.8843 7.4870 113.6928 54.5116 32.7009 173.9234 73 N 4.7504 9.7097 122.0246 53.8619 39.1258 175.5310 74 S 4.7881 7.6645 112.7831 55.8981 67.0468 175.1555 75 G 3.7017 8.7062 109.7645 48.4886 0.0000 176.0948 76 T 3.7884 7.7159 116.6972 66.3867 68.5106 176.3165 77 E 4.1070 8.0400 120.1379 59.3242 29.3474 179.3741 78 R 3.3833 7.9871 118.7996 59.1986 30.0637 178.5923 79 L 4.0260 8.0892 118.3982 57.1971 41.3514 179.3311 80 A 3.8620 7.5050 121.2048 55.0488 18.3253 179.2661 81 E 3.8682 7.9909 117.4011 59.2093 29.7020 178.7509 82 V 3.5081 7.5153 118.1908 66.2952 31.5815 178.0770 83 V 3.5345 8.0120 117.8801 65.9409 31.1421 177.9969 84 E 3.9340 7.8209 118.1702 59.2567 29.3279 179.1271 85 K 3.9554 8.2934 117.2763 59.2621 32.1706 178.1005 86 L 4.2029 8.2467 115.7206 53.9883 42.3591 176.0844 87 A 3.7515 7.3901 120.9025 53.0326 16.4742 177.7156 88 I 4.0300 7.4490 120.9164 60.1299 38.6666 175.4378 89 P 4.3706 0.0000 0.0000 62.9041 32.0035 177.1362 90 D 4.4712 8.7247 120.7877 57.5923 40.9115 178.0676 91 N 4.5898 8.0096 113.6751 54.1046 39.2116 174.7085 92 E 4.1687 7.9339 121.4671 56.1871 30.9699 175.6043 93 I 4.5353 8.5568 127.8644 60.9589 38.8678 174.5342 94 I 5.0726 8.7971 128.0968 59.5692 40.0642 174.6793 95 V 4.7030 8.7646 126.9983 61.2954 33.6131 173.9979 96 N 5.1003 9.4785 128.4349 52.2789 39.8821 173.9184 97 I 4.5104 8.3382 128.6782 59.6007 36.9518 175.6529 98 Q 4.0946 8.5546 125.5730 58.5008 28.4208 177.7145 99 G 3.8287 7.4966 108.2774 44.9927 0.0000 171.1831 100 D 4.6604 8.6075 121.6683 54.0045 42.3493 177.4102 101 E 4.6488 8.2400 124.2596 53.2515 30.7194 173.7512 102 P 4.1718 0.0000 0.0000 65.4293 31.7804 178.6154 103 L 4.7897 7.7765 115.8573 53.6386 41.7379 175.3995 104 I 4.5780 7.5000 121.2080 58.6151 38.2728 174.0049 105 P 4.5290 0.0000 0.0000 61.5356 32.1539 175.7433 106 P 4.4115 0.0000 0.0000 65.8855 31.2675 179.1304 107 V 3.6661 7.7554 112.0820 64.2504 31.4611 178.2681 108 I 3.8376 7.4545 118.4993 64.0978 36.4508 178.3685 109 V 3.5146 7.4333 119.4771 66.0703 31.2061 178.1002 110 R 3.5478 7.6339 116.9919 58.9475 29.8124 178.2385 111 Q 3.9130 7.8466 119.3807 59.0894 28.9423 178.4091 112 V 3.5609 7.5536 118.8605 64.7008 31.7132 177.9471 113 A 3.9725 7.2943 120.2002 55.0276 18.2585 179.2885 114 D 4.4523 8.1827 117.1273 56.9896 40.9335 178.5538 115 N 4.5646 8.4064 117.3829 55.6429 38.3606 177.1256 116 L 4.1041 7.5403 119.8735 57.9208 41.6739 179.2911 117 A 4.0754 7.8992 119.8971 54.4929 18.4233 179.1309 118 K 3.5392 7.5983 117.1995 59.5929 32.1643 177.5627 119 F 4.5461 8.1536 113.7187 56.3786 39.5144 175.5574 120 N 4.2362 7.7345 118.1601 54.9038 37.1990 173.3463 121 V 4.6024 8.2973 110.8374 59.9325 36.3562 175.4601 122 N 4.5490 8.3405 117.4948 53.7266 39.3757 174.4327 *124 A 4.4932 7.9066 120.2431 52.4556 20.6511 176.7589 125 S 4.8347 9.3769 114.4571 57.4600 66.4998 171.9986 126 L 5.3232 8.2252 118.1453 54.9562 44.3970 174.4569 127 A 4.9824 9.0428 119.7253 50.9980 23.1254 175.6049 128 V 4.8166 8.4918 118.5645 59.3454 34.9195 175.1766 129 K 4.4663 8.5367 123.1799 56.6709 32.9753 175.9660 130 I 4.2132 8.1394 127.4591 60.7873 37.5808 175.5251 131 H 4.7706 8.9015 122.3091 55.4352 31.1533 173.6791 132 D 4.8540 7.6833 118.2528 51.9079 42.9125 176.7718 133 A 3.9045 8.6032 128.2932 55.2303 18.1764 179.1807 134 E 4.0502 8.1393 116.3605 59.6711 29.4478 179.3873 135 E 3.9251 8.1025 118.1997 59.3893 29.2729 179.1724 136 L 3.6923 7.1590 117.4185 57.0227 41.5556 178.6528 137 F 4.9881 6.9251 114.2201 56.1143 39.4821 175.2083 138 N 4.6850 7.7687 119.9108 51.4382 38.3020 173.8638 139 P 4.5817 0.0000 0.0000 64.6684 31.3249 176.8774 140 N 4.5044 8.5542 114.8250 53.5334 38.9282 174.5011 141 A 4.5005 7.9517 122.8866 50.2991 20.0343 176.5442 142 V 4.1768 8.2717 123.8712 62.6356 32.9100 175.1971 143 K 5.1479 9.1541 128.3795 55.6217 33.9582 176.1758 144 V 4.8478 8.4167 121.2273 59.5263 34.7254 174.2184 145 L 4.7642 7.9990 120.7229 54.6801 44.1650 174.8150 146 T 4.9540 8.1518 109.8153 59.7346 72.1329 172.2547 147 D 4.8044 8.2742 121.3904 51.6155 41.2465 177.0148 148 K 3.8966 8.5886 117.3807 59.7033 32.1941 177.1402 149 D 4.4796 8.0863 116.8808 53.8819 41.5906 176.9483 150 G 3.6272 8.0613 108.0209 44.6708 0.0000 172.9261 151 Y 4.7092 7.9786 119.2203 57.0275 38.2741 175.4795 152 V 3.9880 8.7801 125.8757 63.3761 32.2648 175.4902 153 L 4.4085 8.4331 126.8083 56.6777 42.2169 176.1376 154 Y 4.9087 6.9671 115.9386 56.9523 41.9997 172.6497 155 F 4.8373 7.3750 121.5634 55.9431 42.2667 174.4633 156 S 4.7176 8.6812 114.2904 58.0434 65.6269 175.9941 157 R 4.2621 9.0341 122.7271 57.2083 30.5202 177.0846 158 S 4.6666 8.0277 114.7096 56.9233 64.0392 174.3498 159 V 3.8712 8.3119 123.2486 61.6753 31.6995 175.7671 160 I 4.8845 8.1704 117.1213 58.6086 40.3566 172.9510 161 P 4.5275 0.0000 0.0000 62.5552 32.0673 174.8864 162 Y 4.3204 8.4873 120.9304 56.9227 39.4255 174.7174 163 D 4.2862 6.7849 127.2536 52.3013 40.3468 176.3003 164 R 4.1483 8.5205 126.1108 59.7663 30.3736 177.3736 165 D 4.5791 8.1770 115.9403 57.6698 41.0159 178.3213 166 Q 4.0527 7.9519 116.2428 58.4675 28.8083 176.4861 167 F 4.5716 8.0249 117.8166 56.7502 38.6208 175.5200 *169 N 4.4710 8.2963 126.6050 53.0492 39.1487 173.1526 170 L 4.4020 7.6556 119.2035 54.7413 41.8295 177.2167 171 Q 4.3341 8.2876 121.1471 55.0007 29.0776 174.8813 172 D 4.1871 7.4782 112.9660 54.0551 42.8077 176.4831 173 V 3.6365 8.0928 128.2586 65.7173 31.6238 177.4935 174 Q 4.1234 8.3143 119.3987 57.9187 28.9722 176.5428 175 K 4.2095 7.9356 115.6353 57.2703 32.6212 177.0261 176 V 3.6894 7.4185 119.9652 62.8448 31.4714 174.8414 177 Q 4.4192 8.5875 129.1003 54.9670 29.8084 175.4417 178 L 4.2574 8.6765 125.6059 56.0699 42.1135 178.0597 179 S 3.8765 9.0317 111.0266 58.8871 60.4804 171.7157 180 D 4.4205 8.2260 115.7676 55.4598 37.8925 174.3348 181 A 4.1544 8.1955 120.9492 52.6944 19.3379 177.6708 182 Y 4.8409 7.6410 113.9334 55.8770 41.4125 174.7808 183 L 5.2665 8.4664 121.8694 52.9236 46.2650 175.0384 184 R 4.9765 9.0092 122.9952 54.7857 32.1886 174.6155 185 H 4.7851 9.6794 127.8941 56.1938 30.7130 174.1888 186 I 4.1723 7.7981 126.2878 59.1889 38.8993 177.5338 187 G 3.7606 8.2082 114.5876 45.6354 0.0000 171.1923 188 I 4.9671 6.5825 121.2777 60.5898 41.5474 174.2283 189 Y 4.9682 8.9910 123.9480 55.9192 42.0238 174.3235 190 A 5.2057 8.1909 123.5979 50.3683 21.8139 175.3885 191 Y 4.9517 8.8351 116.4270 56.8675 41.7856 174.2893 192 R 4.5902 8.6244 121.1323 56.0616 31.3320 177.4300 193 A 4.0696 9.1114 123.7095 55.5937 18.1955 180.7353 194 G 3.5746 8.4778 104.4972 47.8735 0.0000 175.7697 195 F 4.2501 8.2719 122.9702 61.0026 39.2665 177.3937 196 I 3.2615 7.5450 119.1178 64.1848 36.6497 178.3863 197 K 3.8698 7.5783 118.1300 59.1718 32.0741 178.9670 198 Q 3.5846 7.4144 119.7083 58.8098 28.9735 177.1908 199 Y 3.7508 7.4097 120.9003 60.8870 38.6008 178.3417 200 V 3.9374 7.2237 109.3048 62.5681 31.7484 177.5321 201 Q 4.1274 7.5238 118.2305 56.3806 29.3260 176.2813 202 W 4.5632 7.0450 119.1491 55.7270 29.8891 176.2200 203 A 4.2121 8.4622 125.0629 51.2164 18.5838 175.7501 204 P 4.4163 0.0000 0.0000 62.8859 32.2448 177.0020 205 T 4.3744 8.5812 113.1647 60.3320 71.8967 175.9547 206 Q 3.8852 8.1672 122.9689 59.0882 29.0761 178.4455 207 L 3.9054 7.4779 121.1693 58.1994 42.2103 178.7607 208 E 4.0450 8.0574 117.4229 59.4217 29.3298 178.7554 209 N 4.3425 7.9965 116.8155 55.8784 38.5909 177.1847 210 L 4.1612 7.7618 119.6625 57.9612 42.0864 179.1684 211 E 4.0491 8.0698 116.8768 56.8166 30.2975 176.9285 212 K 3.8358 8.2359 116.8791 57.2575 29.7030 177.2239 213 L 4.6137 7.3447 118.1795 51.9899 44.8306 177.4710 214 E 4.1107 8.9985 124.3089 59.6138 29.1501 178.9134 215 Q 4.0518 7.9121 117.3142 58.4331 28.5622 178.1070 216 L 4.1406 7.9725 121.1519 57.2266 41.2530 179.0691 217 R 3.8664 7.9849 118.9837 59.1814 29.9776 178.6877 218 V 3.6369 7.8053 118.3646 65.9091 31.6201 178.0752 219 L 4.2068 7.9631 118.2880 58.1418 41.4224 178.7676 220 Y 4.1273 8.0839 117.9981 59.9928 38.6140 176.5721 221 N 4.4067 7.1351 115.8897 52.5168 38.8781 175.6017 222 G 3.7747 7.5235 107.0937 46.0339 0.0000 173.7807 223 E 4.5904 7.7858 119.7458 55.1196 30.9833 175.6849 224 R 4.7702 8.4571 122.6461 54.8497 32.6175 175.7452 225 I 4.7359 8.3222 121.7057 59.9020 40.9793 173.6096 226 H 5.1713 9.0004 126.3867 54.4634 32.0104 173.2355 227 V 4.7441 8.1079 125.4108 61.0903 34.0642 174.2590 228 E 4.5915 8.6432 126.7627 54.5007 32.0220 174.7106 229 L 4.7667 8.4302 125.9468 54.3995 42.7954 175.4733 230 A 4.8652 9.0300 128.3772 50.0205 21.7786 175.6754 231 K 4.3150 8.4064 119.5217 55.1161 33.3577 176.7675 232 E 4.3942 8.7439 123.7817 56.5443 29.9884 176.6579 233 V 4.5460 8.4613 117.3826 58.4900 35.2652 173.6356 234 P 4.3345 0.0000 0.0000 62.3982 32.2651 175.3677 235 A 4.0013 8.4873 123.9317 52.1119 17.9723 177.7869 236 V 4.1524 8.3142 116.0886 61.5875 32.6395 176.2975 237 G 3.9269 9.0634 113.9914 47.2008 0.0000 174.9526 238 V 3.6336 8.0380 120.2212 63.8481 31.6217 175.5597 239 D 4.8930 7.6806 117.4399 51.4292 45.1036 174.7583 240 T 4.6797 8.0909 110.3576 59.3844 72.7774 174.8039 241 A 3.9815 8.5500 123.3578 55.5783 18.2833 179.6746 242 E 4.1054 8.0125 118.1698 59.1310 29.9025 178.4970 243 D 4.3945 7.8918 118.3930 57.5860 40.8096 179.0084 244 L 4.0593 8.0871 119.3182 57.7138 41.6882 179.3985 245 E 3.9774 8.3061 118.7709 59.0893 29.3639 179.2636 246 K 4.0365 8.0094 119.6489 59.3603 32.3232 179.0269 247 V 3.5495 7.6884 118.3641 66.1855 31.5300 178.0597 248 R 3.9139 8.3930 118.4824 59.2055 29.6071 178.2601 249 A 4.0468 8.0972 120.5261 55.0434 18.5132 179.4732 250 I 3.8132 7.8304 118.2213 64.5545 37.0369 178.5713 251 L 3.9763 7.6103 118.0144 57.9152 41.5523 179.2328 252 A 4.1457 8.3179 119.5939 54.6537 18.6014 178.8866 253 A 4.3852 7.6090 119.7487 51.7682 18.7617 177.2818 254 N 4.4664 7.8451 124.5813 54.9978 39.7937 174.9768 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 2 S 8.32 4.47 0.00 3.89 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 3 F 7.57 5.14 0.00 3.37 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.20 4.86 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 1.27 0.00 0.00 5 V 8.86 4.79 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 1.09 0.00 0.00 1.13 0.00 0.00 6 I 8.67 4.98 1.96 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 1.29 0.85 0.96 0.00 0.00 7 I 9.19 4.64 1.99 0.00 0.00 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 1.38 0.80 1.00 0.00 0.00 8 P 0.00 4.64 0.00 2.11 2.12 0.00 3.96 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 2.04 2.04 0.00 9 A 9.38 4.47 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 10 R 7.95 4.73 0.00 1.97 2.31 0.00 3.32 0.00 0.00 4.01 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 *27 K 7.85 4.30 0.00 1.71 1.85 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 28 P 0.00 4.58 0.00 2.12 1.59 0.00 3.49 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 2.11 2.10 0.00 *30 I 8.49 4.14 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.76 1.14 0.00 0.00 31 Q 7.93 3.34 0.00 1.27 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 2.07 1.16 0.00 32 H 8.08 4.22 0.00 3.19 3.30 0.00 5.68 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 33 V 7.77 3.71 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.96 0.00 0.00 34 F 8.02 4.28 0.00 3.39 3.28 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 35 E 8.51 3.93 0.00 2.06 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 2.39 2.57 0.00 36 K 7.71 3.99 0.00 2.07 1.85 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.58 7.81 37 A 7.74 4.13 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.56 3.94 0.00 1.70 1.55 0.57 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.93 4.39 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.62 2.35 0.00 40 S 7.49 4.71 0.00 4.25 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 0.00 41 G 7.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 6.82 2.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.25 4.27 0.00 3.63 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 44 R 7.59 4.68 0.00 1.79 1.66 0.00 3.12 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 45 V 8.43 4.98 2.12 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 1.05 0.00 0.00 0.79 0.00 0.00 46 I 9.36 4.76 1.93 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 1.27 0.76 0.94 0.00 0.00 47 I 8.80 4.80 1.94 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 1.32 1.25 0.94 0.00 0.00 48 A 8.83 4.89 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 49 T 8.38 4.88 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 1.28 0.00 0.00 50 D 8.64 5.16 0.00 2.85 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 51 N 7.74 5.18 0.00 2.70 2.66 0.00 0.00 6.86 7.53 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 52 E 8.73 3.90 0.00 2.11 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 0.00 2.36 2.45 0.00 53 N 9.01 4.28 0.00 2.98 2.85 0.00 0.00 6.65 7.67 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 54 V 7.99 3.56 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 1.07 0.00 0.00 0.96 0.00 0.00 55 A 7.99 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.24 4.31 0.00 2.80 2.79 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 57 V 8.34 3.80 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.99 0.00 0.00 58 A 7.81 2.88 1.09 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 59 K 6.96 3.97 0.00 1.78 1.73 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.48 7.81 60 S 7.27 4.23 0.00 4.08 3.95 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 61 F 7.02 4.64 0.00 3.14 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 62 G 7.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.43 4.58 0.13 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.71 4.75 0.00 2.82 2.89 0.00 0.00 6.87 7.53 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 74 S 7.66 4.79 0.00 4.18 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 75 G 8.71 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 76 T 7.72 3.79 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 0.14 0.00 0.00 77 E 8.04 4.11 0.00 2.24 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 2.55 2.46 0.00 78 R 7.99 3.38 0.00 1.84 2.06 0.00 3.11 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 79 L 8.09 4.03 0.00 1.87 1.61 1.05 0.79 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 80 A 7.50 3.86 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 E 7.99 3.87 0.00 2.09 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 2.39 2.40 0.00 82 V 7.52 3.51 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 1.04 0.00 0.00 0.99 0.00 0.00 83 V 8.01 3.53 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 0.94 0.00 0.00 0.91 0.00 0.00 84 E 7.82 3.93 0.00 2.19 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 2.47 2.47 0.00 85 K 8.29 3.96 0.00 1.69 1.87 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.60 7.81 86 L 8.25 4.20 0.00 1.70 1.70 0.92 1.09 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 87 A 7.39 3.75 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 88 I 7.45 4.03 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.58 0.93 0.00 0.00 89 P 0.00 4.37 0.00 2.19 2.00 0.00 3.61 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 *124 A 7.91 4.49 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 0.00 125 S 9.38 4.83 0.00 3.96 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.23 5.32 0.00 1.76 1.65 0.86 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 127 A 9.04 4.98 1.22 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 0.00 0.00 0.00 128 V 8.49 4.82 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 0.74 0.00 0.00 1.07 0.00 0.00 129 K 8.54 4.47 0.00 1.76 1.68 0.00 1.81 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.44 7.81 130 I 8.14 4.21 1.89 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 1.18 0.73 0.90 0.00 0.00 131 H 8.90 4.77 0.00 3.12 3.30 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 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8.55 4.50 0.00 2.92 2.91 0.00 0.00 6.83 7.18 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 0.00 141 A 7.95 4.50 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 0.00 142 V 8.27 4.18 2.19 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 1.12 0.00 0.00 0.98 0.00 0.00 143 K 9.15 5.15 0.00 1.82 1.88 0.00 1.52 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.59 7.81 144 V 8.42 4.85 1.75 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 0.68 0.00 0.00 0.16 0.00 0.00 145 L 8.00 4.76 0.00 1.63 1.64 0.96 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 146 T 8.15 4.95 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 1.04 0.00 0.00 147 D 8.27 4.80 0.00 2.97 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 0.00 148 K 8.59 3.90 0.00 1.87 2.00 0.00 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0.00 0.00 1.80 1.16 0.00 199 Y 7.41 3.75 0.00 2.75 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 0.00 200 V 7.22 3.94 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 0.96 0.00 0.00 201 Q 7.52 4.13 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 202 W 7.04 4.56 0.00 3.43 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 0.00 203 A 8.46 4.21 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 0.00 204 P 0.00 4.42 0.00 2.04 1.99 0.00 3.66 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 2.02 2.07 0.00 205 T 8.58 4.37 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 1.22 0.00 0.00 206 Q 8.17 3.89 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 207 L 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 1.84 1.16 0.00 216 L 7.97 4.14 0.00 1.88 1.84 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 217 R 7.98 3.87 0.00 2.08 1.97 0.00 2.21 0.00 0.00 2.88 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 218 V 7.81 3.64 2.47 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 1.40 0.00 0.00 1.50 0.00 0.00 219 L 7.96 4.21 0.00 1.94 1.87 1.17 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 220 Y 8.08 4.13 0.00 3.00 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 0.00 221 N 7.14 4.41 0.00 1.44 1.47 0.00 0.00 7.02 7.32 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 0.00 222 G 7.52 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 0.00 223 E 7.79 4.59 0.00 2.22 2.18 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 2.88 2.48 0.00 224 R 8.46 4.77 0.00 1.67 1.77 0.00 2.63 0.00 0.00 2.93 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 225 I 8.32 4.74 2.13 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 1.44 1.31 1.18 0.00 0.00 226 H 9.00 5.17 0.00 3.30 3.15 0.00 5.61 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 0.00 227 V 8.11 4.74 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 0.73 0.00 0.00 0.95 0.00 0.00 228 E 8.64 4.59 0.00 1.90 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 2.26 2.40 0.00 229 L 8.43 4.77 0.00 1.59 1.53 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 230 A 9.03 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 K 8.41 4.32 0.00 1.75 1.75 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.39 7.81 232 E 8.74 4.39 0.00 1.87 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 2.31 2.36 0.00 233 V 8.46 4.55 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 0.85 0.00 0.00 0.92 0.00 0.00 234 P 0.00 4.33 0.00 1.92 2.00 0.00 3.70 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 2.02 2.11 0.00 235 A 8.49 4.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 V 8.31 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 0.77 0.00 0.00 0.92 0.00 0.00 237 G 9.06 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 0.00 238 V 8.04 3.63 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 0.72 0.00 0.00 0.77 0.00 0.00 239 D 7.68 4.89 0.00 2.62 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 0.00 240 T 8.09 4.68 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 241 A 8.55 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 E 8.01 4.11 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 243 D 7.89 4.39 0.00 2.88 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 0.00 244 L 8.09 4.06 0.00 1.85 1.72 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 245 E 8.31 3.98 0.00 2.17 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 2.33 2.61 0.00 246 K 8.01 4.04 0.00 1.86 2.02 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 247 V 7.69 3.55 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 0.94 0.00 0.00 0.96 0.00 0.00 248 R 8.39 3.91 0.00 1.90 2.04 0.00 3.15 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 249 A 8.10 4.05 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 0.00 250 I 7.83 3.81 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.08 0.91 0.00 0.00 251 L 7.61 3.98 0.00 1.79 1.74 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 252 A 8.32 4.15 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 0.00 253 A 7.61 4.39 1.31 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 0.00 0.00 254 N 7.85 4.47 0.00 2.89 2.66 0.00 0.00 7.02 7.56 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 * Residues marked with a * may have inaccurate shift predictions.