NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6159 8.2649 122.4687 52.0045 19.9757 175.7755 2 D 4.6925 9.0685 123.8196 52.9786 42.6106 174.3451 3 I 5.1488 9.1883 124.6257 59.6913 41.2207 174.7564 4 Q 4.7679 8.7879 123.5137 54.4848 32.7967 174.2586 5 S 5.1262 8.6177 117.3098 57.5614 66.3010 172.7734 6 F 4.7005 8.5158 114.4960 56.5489 41.3941 172.9356 7 S 4.9379 7.9616 113.8244 57.2114 65.3171 172.9737 8 F 4.9521 9.6620 128.4821 56.4181 41.4786 176.7260 9 K 4.3376 9.1662 125.4869 55.0967 34.1850 174.0134 10 N 5.0330 7.8735 112.6181 50.4193 39.8854 178.3172 11 F 4.0371 8.7594 125.9430 57.4259 39.6604 177.3561 *14 S 4.3172 8.4202 119.2388 58.1878 64.0012 173.9662 15 S 4.6060 7.8327 115.1805 58.8010 63.4439 173.4634 16 F 5.4833 8.0085 117.7924 55.7268 42.6230 174.3324 17 I 4.5265 9.4067 123.3913 59.8367 39.0185 174.6222 18 L 5.2508 8.6416 126.9643 53.2603 43.9058 176.0309 19 Q 4.4273 8.7425 121.0435 54.7846 33.0788 176.0999 20 G 3.7819 8.8294 109.6796 46.7636 0.0000 174.8943 21 D 4.7237 9.0504 122.9152 55.0787 41.2051 176.9143 22 A 3.9838 7.1796 120.2543 53.1191 18.7724 177.0490 23 T 4.6379 8.6977 115.4782 60.8148 71.5575 172.4261 24 V 4.8694 8.0139 125.6962 59.9249 34.0750 175.1057 25 S 4.4646 8.8307 116.3574 58.7384 65.8262 175.1383 26 S 3.8084 9.1545 120.3817 59.9023 59.6484 170.7865 27 S 4.5620 8.4833 112.7443 57.4039 59.6311 175.3379 28 K 4.7050 7.4869 118.3583 55.8278 36.5611 175.2968 29 L 3.8615 7.5742 128.6152 55.5046 43.1448 176.4098 30 R 4.8503 9.1162 128.9668 55.1110 30.7008 173.1071 31 L 4.0806 8.8864 127.7857 56.0610 42.7080 177.4924 32 T 4.9271 7.5860 106.9402 58.9688 71.6568 174.4224 33 K 4.0743 8.4194 123.7108 56.7006 32.8030 176.5312 34 V 4.5213 7.8494 122.7457 60.9897 34.5692 175.2433 35 K 4.3250 8.9753 127.2863 55.6864 32.9640 178.2498 36 G 3.6283 8.6242 108.6314 48.9008 0.0000 175.0033 37 N 4.2911 8.0038 116.1089 54.1987 37.3689 175.8481 38 G 3.8667 8.2970 109.5748 45.8223 0.0000 173.8799 39 L 4.5264 7.9146 119.7460 51.8881 42.4762 180.6723 40 P 4.5885 0.0000 0.0000 63.6496 31.4236 175.5777 41 T 4.5905 8.1212 116.4946 63.6186 72.4176 174.3952 42 L 4.2198 8.4328 125.9048 55.0106 42.1752 174.2914 43 S 3.7857 9.1530 115.2028 60.4291 60.8074 171.8997 44 S 5.0226 8.0933 114.6088 56.8588 66.2332 173.2623 45 L 4.8278 8.8629 123.5969 54.2685 46.0288 173.9116 46 G 4.8691 8.8205 112.6243 44.5265 0.0000 171.6303 47 R 5.2040 8.9964 120.9574 54.0547 34.7878 174.2675 48 A 5.0514 8.3398 123.1025 50.3929 22.6330 175.1620 49 F 5.5765 9.4757 120.5161 55.4843 43.6495 173.8695 50 Y 4.7184 9.1523 124.1863 58.1033 38.4585 175.7558 51 S 4.1167 8.8490 123.8937 61.4470 64.0408 174.6455 52 S 4.4252 6.0780 113.1499 55.9149 63.0203 171.6391 53 P 4.6910 0.0000 0.0000 62.7672 32.1717 175.5175 54 I 4.6625 8.3569 115.0287 59.1743 40.8977 174.0366 55 Q 4.1792 8.4730 125.6317 55.1388 29.1760 175.5532 56 I 3.9590 8.4191 129.0234 64.1848 37.5065 175.2839 57 Y 4.9473 6.6102 115.1591 56.2278 40.4688 172.7301 58 D 5.0134 8.9701 119.1105 52.1511 43.0196 176.1312 59 K 3.9972 9.8890 127.8272 59.7449 31.6279 178.3615 60 S 4.2336 7.4448 112.4455 60.7649 63.4145 175.2898 61 T 3.8523 7.8055 114.5348 62.0800 68.6526 175.6570 62 G 3.9452 8.5677 109.1210 44.8686 0.0000 173.4875 63 A 4.2796 7.8846 122.2097 52.0418 19.6983 176.7207 64 V 4.8802 8.2215 119.5237 60.9067 34.3399 175.1497 65 A 4.7831 8.9450 129.7304 51.6386 19.4065 176.6891 66 S 5.1111 8.7495 116.7105 56.8812 65.7555 173.3098 67 W 5.5385 8.0782 119.1319 55.7375 32.3109 172.9951 68 A 5.0865 8.9484 120.2797 51.3872 22.4918 175.2624 69 T 5.3045 9.2006 114.1481 60.9043 71.4554 172.8221 70 S 5.2785 9.1430 121.4602 56.9944 67.2364 172.5374 71 F 5.2851 7.9304 112.8632 57.0001 41.4482 172.5952 72 T 5.2546 8.4350 116.2910 62.0798 71.3060 173.4476 73 A 5.0974 9.2892 128.5785 51.1007 23.1432 175.2368 74 N 5.4983 8.8211 119.4977 51.1382 41.5844 173.1546 75 I 4.8451 8.4181 124.8750 58.4081 40.9994 174.8034 *76 F 5.3038 9.3176 127.8318 55.3037 41.3166 170.6798 77 A 4.8532 9.3884 125.6439 48.4010 20.9898 174.2584 78 P 4.1437 0.0000 0.0000 64.9852 32.3565 176.3480 79 N 4.1076 8.5555 119.3268 51.7823 33.7065 173.7238 80 K 3.8016 8.2353 125.5407 59.4349 32.5195 178.3434 81 S 4.4779 8.0169 109.1448 59.6392 63.0595 174.0341 82 S 5.0578 8.5820 119.0354 58.3235 63.5888 173.8292 83 S 4.6438 7.7266 113.8054 57.7834 63.9962 173.2916 84 A 4.4179 7.8849 122.3556 52.2901 22.3576 176.5912 85 D 4.6591 9.1369 119.7306 53.5892 42.3436 175.8665 86 G 4.4019 7.4796 104.1343 44.4415 0.0000 171.8643 87 I 4.9663 8.4679 118.3085 59.4156 42.1095 174.3330 88 A 5.5478 9.2424 127.7601 50.4858 23.1528 174.6017 89 F 5.0716 9.6365 123.1243 56.9075 41.5444 174.6997 90 A 4.9601 7.9224 126.3397 50.2685 23.6933 174.7382 91 L 4.8712 8.5774 118.5053 53.1727 44.6494 176.5068 92 V 4.7430 8.2469 116.6319 58.3056 36.3659 173.6282 93 P 4.1841 0.0000 0.0000 63.1670 31.7866 177.8098 94 V 3.1048 7.8671 114.3965 65.7851 32.2352 177.5658 95 G 3.5368 8.1035 112.0666 48.0097 0.0000 173.0606 96 S 3.6462 7.3122 113.5910 57.1587 61.8771 173.2546 97 E 4.5115 8.3299 127.6130 54.1509 30.9652 174.1741 98 P 4.3712 0.0000 0.0000 63.6173 32.1151 176.4539 99 K 4.8086 7.7859 120.8970 55.3673 34.7655 176.4828 100 S 4.3561 8.1818 117.8441 59.0864 64.0872 174.7451 101 N 4.7507 8.2780 119.3578 52.5652 37.1394 175.8050 *104 F 4.6368 7.7107 115.8528 57.0061 41.3348 176.1900 105 L 3.9216 8.6227 117.9115 54.1692 39.4759 174.6969 106 G 4.0249 8.5866 104.1185 46.4577 0.0000 176.3453 107 V 4.1643 7.7957 111.3997 60.0128 33.7189 175.4877 108 F 5.1496 7.8733 116.1031 55.8055 42.6301 173.9270 109 D 4.2835 8.8562 119.7701 53.8972 43.0359 176.3789 110 S 4.5800 7.3106 111.7848 57.1248 65.9225 173.4246 111 D 4.5315 8.6082 117.9227 52.9625 39.2860 175.8557 112 V 4.2755 7.6656 120.0533 60.9905 33.0762 174.8820 113 Y 4.0390 8.6559 127.9455 58.2996 39.0394 175.4565 114 D 4.5784 8.0861 125.9115 52.0084 42.4168 174.5790 115 N 4.3187 8.8839 125.8211 56.2023 39.1145 177.0224 116 S 4.1854 8.1904 111.1528 60.6769 63.3084 175.3004 117 A 3.9791 8.2862 124.4480 53.6587 18.4953 177.4820 118 Q 3.9787 7.7203 112.5254 56.1922 27.1382 174.1639 119 T 4.9434 8.6945 112.7540 61.9106 73.4657 174.7548 120 V 5.1600 8.5764 124.1323 61.3428 35.2097 174.0379 121 A 5.2074 9.4261 127.7408 50.8112 23.5124 174.8997 122 V 4.8612 9.2085 120.2608 61.2783 33.6344 174.6813 123 E 5.0034 8.8162 126.5123 55.0721 32.1711 175.2188 124 F 5.2464 8.7973 118.8431 55.5101 39.6678 172.5937 125 D 4.7204 8.7209 121.3053 54.6288 41.8751 176.4734 126 T 4.5343 8.8475 117.6879 62.0399 70.9256 174.8796 *127 F 4.6461 7.7443 121.5078 55.3559 40.7794 180.9376 128 S 4.1821 8.6279 119.3005 56.1819 61.3374 173.2094 129 N 4.0475 8.5417 126.5424 52.2768 37.7851 175.0617 130 T 3.7478 7.9113 120.3170 61.1182 68.6669 174.0756 *132 W 4.9449 7.6752 118.1861 57.0877 30.6030 176.4733 133 D 4.6770 7.6783 117.6530 53.0784 40.8788 174.3614 134 P 4.5654 0.0000 0.0000 61.9554 32.3735 177.4833 135 T 3.9624 8.5018 116.9865 66.2291 68.3426 173.8492 136 S 4.8081 7.2015 113.2636 55.4637 66.2026 173.4157 137 R 4.3124 8.2922 118.6823 57.4703 30.5744 175.9067 138 H 5.7325 9.0669 117.0449 54.5930 33.2903 171.7219 139 I 4.4626 8.8409 119.0978 59.4354 39.6096 175.5620 140 G 4.5523 8.6356 112.9399 43.2758 0.0000 171.4450 141 I 4.8408 8.3110 120.8323 59.6590 39.5132 174.5186 142 D 5.0267 9.4028 128.5917 52.6390 42.8304 176.0308 143 V 4.2942 8.1386 123.5419 60.9364 33.5172 174.3984 144 N 4.1278 8.7910 127.8665 53.6283 36.6774 174.4138 145 S 4.2834 5.8100 107.3983 57.5931 64.7830 176.1989 146 I 3.5434 7.6580 125.6042 61.9572 37.7209 175.9691 147 K 4.2068 7.4227 119.9334 55.4908 31.3023 176.8421 148 S 4.5612 8.7112 120.2437 58.2597 63.3110 175.3243 149 I 4.3075 8.5094 118.3005 61.3799 38.4168 176.5196 150 R 4.6511 7.1510 118.4794 56.6761 33.2228 178.6855 151 T 5.8998 8.8991 111.9696 58.6450 72.8552 172.7195 152 A 4.8024 8.2860 121.6747 50.3001 22.7249 175.8888 153 S 4.6705 8.9828 118.3555 58.6808 63.7864 173.7305 154 W 4.1239 8.9775 134.0999 55.2550 32.9671 175.3428 155 G 3.7153 7.8705 116.8346 44.3614 0.0000 172.4203 156 L 3.6005 7.5924 128.5368 54.0999 42.3473 177.0186 157 A 4.3477 8.1865 130.0538 49.6388 18.2609 174.4127 158 N 4.1664 8.2534 118.7262 55.7703 39.4895 175.0986 159 G 4.1780 9.2078 115.5503 45.7734 0.0000 173.9987 160 Q 4.3787 7.4871 116.7604 55.4628 29.6030 176.2048 161 N 4.9974 8.7047 117.9704 53.1405 40.0915 174.5778 162 A 4.7157 9.1292 123.0020 50.3105 22.4163 174.8846 163 E 4.7459 9.1373 123.6407 54.9661 31.3268 175.4503 164 I 5.3205 7.9184 118.2779 58.2311 41.2104 174.7345 165 L 4.9076 8.0545 124.5252 53.9864 45.2573 174.3831 166 I 5.1380 8.9434 128.0182 59.8145 40.0999 174.9567 167 T 4.7327 8.9741 115.8273 60.0801 72.6876 172.1998 168 Y 4.6248 7.8099 124.7184 55.6966 41.5794 173.9059 169 N 4.4810 8.1471 127.1451 52.0541 39.1956 175.6805 170 A 3.6735 8.0564 130.7090 54.8890 18.8747 178.5290 171 A 4.0753 8.1018 118.9014 54.9371 18.4234 178.4693 172 T 4.2094 7.5626 102.7698 60.9467 70.0682 175.0302 173 S 3.7503 7.7921 117.2910 58.5208 61.2973 170.2505 174 L 4.9038 7.1777 123.0317 53.7289 43.6535 174.7713 175 L 5.2968 9.0427 128.7763 53.4156 44.3811 175.0912 176 V 5.0070 8.9277 125.5918 61.1446 35.0687 173.9793 177 A 5.5600 9.1184 127.3206 49.4383 23.2267 175.2933 178 S 5.5909 8.5448 116.3924 58.3693 66.5226 173.7381 179 L 5.0070 8.7296 126.4068 53.4189 43.7834 172.1929 180 V 4.8795 8.2997 120.1955 62.0469 35.5417 173.2742 181 H 5.1889 8.9607 125.3465 53.8030 29.6330 174.0198 182 P 4.3091 0.0000 0.0000 65.4207 31.6843 179.1258 183 S 4.1746 8.3176 113.3328 61.3055 62.7294 175.4916 184 R 4.5711 7.8981 115.1984 54.9867 30.6281 175.5188 185 R 3.7584 7.7050 115.4338 57.2982 28.6825 176.0879 186 T 4.7373 7.7032 106.5328 60.4948 71.3958 173.9020 187 S 5.0690 7.7452 116.4723 57.4080 66.4064 172.6256 188 Y 5.0853 8.7594 117.9690 56.8286 42.5447 173.9686 189 I 5.7721 8.2913 114.3148 58.9630 41.5499 174.3739 190 V 4.6917 8.1519 121.5632 61.6479 34.8713 173.3331 191 S 5.3078 8.3101 120.8458 56.7472 66.5266 172.7711 192 E 4.8559 8.2287 117.2814 55.5634 33.5762 175.8732 193 R 4.6403 8.8934 125.9904 56.6693 31.2480 176.5518 194 V 4.2567 8.9711 122.6348 62.0038 34.6602 174.9177 195 D 4.7005 8.8783 129.3050 52.5299 39.7537 175.5995 196 I 3.6894 8.2010 124.0216 64.1392 37.8577 176.7057 197 T 3.3036 7.9139 108.8642 63.9328 68.6566 175.3419 198 N 4.6548 8.0879 118.0047 54.5968 39.5977 176.4029 199 E 4.4184 8.1353 118.8460 56.6890 29.9064 175.5535 200 L 5.1425 7.2501 116.5416 52.2531 46.0503 173.9304 201 P 4.6750 0.0000 0.0000 61.7955 32.2861 176.6078 202 E 2.5768 8.6373 120.1171 58.2586 29.6895 176.0232 203 Y 4.9940 7.6868 114.8805 56.2078 41.0259 175.5015 204 V 4.6312 8.6590 115.9979 59.8101 36.7971 174.0802 205 S 5.0590 8.9657 117.2495 56.8576 65.6585 173.8824 206 I 4.4223 8.5274 117.4848 59.0262 40.3220 176.0886 207 G 3.5211 6.3666 108.7974 45.9646 0.0000 171.2990 208 F 5.1797 7.0125 117.6823 55.8856 43.3931 174.5203 209 S 4.9800 8.5585 113.4083 57.3341 66.1478 172.8783 210 A 5.1713 8.9660 127.8514 50.6995 23.1615 174.7876 211 T 5.1746 8.3831 109.6026 60.2200 73.0911 172.2541 212 T 5.2776 8.3321 110.8995 59.5145 72.4575 173.5246 213 G 3.9234 8.7714 109.7359 46.5649 0.0000 174.3321 214 L 4.5585 8.5379 118.2345 56.3267 43.0196 178.6656 215 S 4.2435 8.0543 111.3006 60.9141 63.7714 173.6899 *218 Y 5.2675 7.7165 117.7860 57.6693 37.6607 173.3003 219 T 5.1304 7.8619 112.5633 61.8015 72.5215 171.8632 220 E 4.8608 8.4168 118.7908 56.2276 32.3857 174.0011 221 T 4.6150 8.6646 110.3038 60.8657 71.6249 174.0760 222 H 4.7869 8.4599 119.1259 54.2318 32.0302 171.3696 223 D 5.1161 8.5049 123.1148 52.1595 44.2294 175.3004 224 V 3.9538 8.4359 124.3651 62.0548 32.4302 176.2498 225 L 4.6401 9.1648 127.7028 56.3467 43.2807 176.9765 226 S 5.1548 8.1042 111.0083 57.0882 66.7777 173.2320 227 W 6.3000 9.4959 130.9882 56.6893 34.4850 173.7137 228 S 5.2582 10.1295 122.6649 57.0386 66.7997 172.7767 229 F 5.0137 8.3805 123.8776 57.0342 43.2219 172.8750 230 A 4.9153 6.6314 124.1658 50.7947 23.0687 175.4944 231 S 5.1320 9.1472 116.4686 56.4380 67.1250 173.3955 232 K 4.7202 9.0981 122.5099 55.0033 35.0071 174.2222 233 L 4.8488 8.9815 131.3422 52.9783 43.9506 174.6856 234 P 4.8040 0.0000 0.0000 62.1131 33.8369 175.9082 235 D 4.5570 8.4544 118.4027 54.6502 41.1035 176.5603 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 1 A 8.26 4.62 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 2 D 9.07 4.69 0.00 2.64 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 3 I 9.19 5.15 1.89 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 1.35 0.64 0.92 0.00 0.00 4 Q 8.79 4.77 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 5 S 8.62 5.13 0.00 3.80 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 6 F 8.52 4.70 0.00 2.43 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 7 S 7.96 4.94 0.00 3.78 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 8 F 9.66 4.95 0.00 2.78 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.17 4.34 0.00 1.74 1.67 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 0.96 7.81 10 N 7.87 5.03 0.00 2.67 2.60 0.00 0.00 6.71 7.43 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 11 F 8.76 4.04 0.00 2.96 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 *14 S 8.42 4.32 0.00 3.65 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 15 S 7.83 4.61 0.00 3.09 3.38 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 16 F 8.01 5.48 0.00 2.93 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 17 I 9.41 4.53 2.06 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 1.25 0.84 0.98 0.00 0.00 18 L 8.64 5.25 0.00 1.53 1.57 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.74 4.43 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.64 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 20 G 8.83 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 21 D 9.05 4.72 0.00 2.53 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 22 A 7.18 3.98 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 23 T 8.70 4.64 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 1.23 0.00 0.00 24 V 8.01 4.87 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 0.79 0.00 0.00 0.91 0.00 0.00 25 S 8.83 4.46 0.00 3.99 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 26 S 9.15 3.81 0.00 4.05 4.06 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 27 S 8.48 4.56 0.00 3.77 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 28 K 7.49 4.70 0.00 1.81 1.88 0.00 1.20 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.24 7.81 29 L 7.57 3.86 0.00 0.27 0.68 0.31 0.27 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 30 R 9.12 4.85 0.00 1.47 1.81 0.00 3.32 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 31 L 8.89 4.08 0.00 1.57 1.62 0.70 0.62 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 32 T 7.59 4.93 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 1.21 0.00 0.00 33 K 8.42 4.07 0.00 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4.58 0.00 3.92 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 0.00 111 D 8.61 4.53 0.00 2.75 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.67 4.28 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 0.81 0.00 0.00 0.96 0.00 0.00 113 Y 8.66 4.04 0.00 2.95 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 0.00 114 D 8.09 4.58 0.00 2.72 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.88 4.32 0.00 3.12 2.91 0.00 0.00 6.84 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.19 4.19 0.00 4.01 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 0.00 117 A 8.29 3.98 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 0.00 118 Q 7.72 3.98 0.00 2.17 2.14 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 *127 F 7.74 4.65 0.00 2.12 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 0.00 128 S 8.63 4.18 0.00 3.78 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.54 4.05 0.00 1.44 1.42 0.00 0.00 6.51 6.94 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 0.00 130 T 7.91 3.75 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 *132 W 7.68 4.94 0.00 3.38 3.46 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 0.00 133 D 7.68 4.68 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 0.00 134 P 0.00 4.57 0.00 2.12 1.93 0.00 3.21 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.03 0.00 135 T 8.50 3.96 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 136 S 7.20 4.81 0.00 3.96 3.83 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 0.00 137 R 8.29 4.31 0.00 1.69 1.73 0.00 2.82 0.00 0.00 2.74 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 138 H 9.07 5.73 0.00 3.32 3.44 0.00 5.21 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.84 4.46 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.75 0.47 0.00 0.00 140 G 8.64 4.55 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 0.00 141 I 8.31 4.84 1.92 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 1.28 0.64 0.99 0.00 0.00 142 D 9.40 5.03 0.00 2.84 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 0.00 143 V 8.14 4.29 2.15 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 0.91 0.00 0.00 1.00 0.00 0.00 144 N 8.79 4.13 0.00 2.09 2.40 0.00 0.00 6.27 6.82 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 0.00 145 S 5.81 4.28 0.00 3.43 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.66 3.54 1.78 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.24 -0.78 0.00 0.00 147 K 7.42 4.21 0.00 1.76 1.72 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.58 7.81 148 S 8.71 4.56 0.00 3.93 4.02 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 0.00 149 I 8.51 4.31 1.90 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 1.39 0.62 0.99 0.00 0.00 150 R 7.15 4.65 0.00 1.46 1.76 0.00 3.19 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.08 0.00 151 T 8.90 5.90 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 1.27 0.00 0.00 152 A 8.29 4.80 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 0.00 153 S 8.98 4.67 0.00 3.90 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 0.00 154 W 8.98 4.12 0.00 2.93 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 7.87 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.59 3.60 0.00 0.27 0.98 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.19 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.25 4.17 0.00 2.75 2.71 0.00 0.00 7.10 7.95 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 0.00 159 G 9.21 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 0.00 0.00 0.00 0.00 160 Q 7.49 4.38 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 186 T 7.70 4.74 4.38 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 1.33 0.00 0.00 187 S 7.75 5.07 0.00 3.74 3.74 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 0.00 188 Y 8.76 5.09 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 0.00 189 I 8.29 5.77 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.96 0.98 0.00 0.00 190 V 8.15 4.69 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 1.05 0.00 0.00 0.93 0.00 0.00 191 S 8.31 5.31 0.00 3.86 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 0.00 192 E 8.23 4.86 0.00 2.10 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 2.11 2.23 0.00 193 R 8.89 4.64 0.00 1.77 1.89 0.00 3.26 0.00 0.00 3.16 7.21 0.00 0.00 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0.00 2.00 2.07 0.00 202 E 8.64 2.58 0.00 1.89 1.74 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 2.10 2.09 0.00 203 Y 7.69 4.99 0.00 2.71 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 0.00 204 V 8.66 4.63 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 0.73 0.00 0.00 0.78 0.00 0.00 205 S 8.97 5.06 0.00 3.28 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 I 8.53 4.42 1.96 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.04 0.65 0.00 0.00 207 G 6.37 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 F 7.01 5.18 0.00 2.61 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 0.00 209 S 8.56 4.98 0.00 3.78 3.58 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 0.00 210 A 8.97 5.17 1.02 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 0.00 0.00 211 T 8.38 5.17 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 212 T 8.33 5.28 4.31 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 1.37 0.00 0.00 213 G 8.77 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 0.00 214 L 8.54 4.56 0.00 1.68 1.75 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 215 S 8.05 4.24 0.00 4.09 4.06 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 *218 Y 7.72 5.27 0.00 3.13 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 0.00 219 T 7.86 5.13 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 1.29 0.00 0.00 220 E 8.42 4.86 0.00 2.07 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 2.45 1.99 0.00 221 T 8.66 4.61 4.35 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 1.18 0.00 0.00 222 H 8.46 4.79 0.00 2.94 3.16 0.00 5.55 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 D 8.50 5.12 0.00 2.43 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 0.00 0.00 0.00 0.00 224 V 8.44 3.95 1.13 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 0.30 0.00 0.00 -0.20 0.00 0.00 225 L 9.16 4.64 0.00 1.75 1.80 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 226 S 8.10 5.15 0.00 4.13 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 0.00 227 W 9.50 6.30 0.00 3.96 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 S 10.13 5.26 0.00 3.87 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 0.00 229 F 8.38 5.01 0.00 2.27 1.45 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 0.00 230 A 6.63 4.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 S 9.15 5.13 0.00 4.11 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 0.00 232 K 9.10 4.72 0.00 1.82 1.70 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.37 7.81 233 L 8.98 4.85 0.00 1.84 1.54 1.01 0.79 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 0.00 234 P 0.00 4.80 0.00 2.14 2.09 0.00 3.85 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 2.01 2.03 0.00 235 D 8.45 4.56 0.00 2.66 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 * Residues marked with a * may have inaccurate shift predictions.