NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *31 K 4.3447 8.3144 122.1386 54.6981 34.2654 175.9997 32 E 4.6709 7.3953 115.9558 52.4042 30.4756 172.7674 33 P 4.7421 0.0000 0.0000 62.5164 34.0131 175.0898 34 K 4.7662 8.8277 118.3012 54.4801 37.0787 175.8486 35 F 5.0887 9.7418 122.2500 58.3526 38.7705 175.6791 36 T 4.3900 9.3631 115.1203 63.8026 69.8670 175.1455 37 K 4.4683 7.6632 119.6048 55.4547 35.5830 174.3900 38 C 5.5575 8.6607 122.1627 55.2447 43.9312 173.4164 39 R 4.8262 9.2045 122.7687 54.9848 34.0982 173.3553 40 S 5.6338 9.0357 120.9349 55.4750 63.5376 173.0345 41 P 4.5658 0.0000 0.0000 64.8787 32.0464 177.2736 42 E 4.7263 7.7036 114.5497 55.4167 30.2854 176.2237 43 R 3.8735 8.6049 116.5631 57.5150 29.2095 176.0680 44 E 4.9400 8.3996 115.7168 56.9028 33.0551 175.6815 45 T 4.9775 9.7315 109.5420 60.3851 73.0082 172.8156 46 F 5.4968 8.2294 115.1117 56.4329 41.5206 172.9704 47 S 5.2703 9.1867 113.7757 57.0383 66.9989 171.9770 48 C 5.6145 9.2598 117.5650 55.6759 39.8293 172.9979 49 H 5.3867 10.0836 120.2100 53.9515 32.5473 172.4619 50 W 5.9088 7.7873 117.0372 55.7641 31.7493 173.8750 51 T 4.5659 8.7003 111.4976 60.2883 70.2029 174.3686 52 D 4.5690 8.5556 121.4053 54.0018 41.5762 176.3723 *62 G 3.7103 8.1772 109.3576 44.7542 0.0000 170.4467 63 P 4.6206 0.0000 0.0000 61.7719 32.8846 175.0732 64 I 4.6607 8.2879 125.3417 60.9884 38.4524 175.2382 65 Q 4.6654 8.8837 123.8269 54.3170 33.8704 173.3158 66 L 5.2307 8.8192 123.8005 53.3869 45.0880 175.1972 67 F 5.6133 9.2324 123.3060 56.0323 43.3879 173.4171 68 Y 5.6146 9.1268 118.9567 56.3488 42.3261 173.5123 69 T 4.3184 8.0691 111.5974 61.3144 71.1331 174.1515 70 R 4.1711 8.0499 127.3160 56.5679 32.1021 177.2535 71 R 4.0784 7.9608 120.8393 57.0966 31.0971 170.9260 *78 Q 4.4251 8.7675 124.7115 54.3188 30.1494 174.0735 79 E 4.6300 7.7422 118.6574 53.6074 29.9229 176.7387 80 W 4.7824 8.5367 124.6526 55.2680 30.6048 175.9693 81 K 4.8328 8.5002 121.3601 54.5107 36.1275 175.3842 82 E 4.4838 8.8447 122.5598 55.3183 30.8205 176.2939 83 C 3.8961 8.4946 124.0897 56.7253 43.4980 172.2910 84 P 3.7653 0.0000 0.0000 63.7728 31.7606 175.5818 85 D 4.2448 6.9521 118.9159 53.7955 42.3632 174.1399 86 Y 4.9566 8.8428 123.3569 57.1954 38.7123 176.1203 87 V 4.2703 7.8572 118.8150 63.4597 33.2833 177.9479 88 S 4.0216 8.4222 116.0914 60.5775 62.7150 175.3598 89 A 4.2723 7.9888 120.1771 51.5371 18.9482 176.5430 90 G 3.8139 8.2482 105.4994 45.2544 0.0000 173.5943 91 E 4.0384 8.1725 117.3327 57.0182 30.5998 176.5435 92 N 3.6746 8.5513 116.6493 53.3327 35.5748 173.1770 93 S 4.1322 6.4247 110.7163 57.2432 67.2210 175.2991 94 C 5.2184 9.1068 120.7470 55.0976 46.5532 171.7307 95 Y 4.9650 8.7149 128.2020 56.0115 40.1767 174.8144 96 F 4.1121 8.3469 126.3299 55.3709 40.8700 175.4963 97 N 4.4432 7.8813 122.4871 51.3874 38.9798 175.5942 98 S 4.4097 8.5389 110.8220 60.9782 62.3494 176.6385 99 S 4.0693 8.7948 115.9246 60.5529 62.5730 174.9513 100 F 4.8229 8.2893 116.6868 57.1118 39.0279 175.0021 101 T 4.9146 7.6316 116.8042 61.8347 70.3409 173.6614 102 S 4.8181 9.0434 120.8747 56.4763 65.3430 173.8367 103 I 4.0038 8.4302 119.5051 62.1418 37.9486 176.2999 104 W 4.9589 7.9039 120.4481 56.8534 28.8325 175.9062 105 I 4.5868 7.2983 111.3770 58.6287 39.7288 172.4274 106 P 4.5837 0.0000 0.0000 62.9419 32.2320 174.9465 107 Y 4.6159 9.5930 121.1715 56.4769 40.7528 174.0006 108 C 5.3951 8.5262 118.9715 55.1263 44.7613 173.2161 109 I 5.6921 9.5521 117.2051 59.0260 41.2579 174.4055 110 K 5.4772 9.3714 122.3550 55.3779 35.8111 175.3751 111 L 4.5549 8.9528 124.0217 54.5504 43.3010 175.9238 112 T 5.0959 8.9188 118.5337 61.7973 72.8935 173.0508 113 S 4.7364 8.8566 120.0409 56.3696 65.1369 173.3301 114 N 4.0997 10.0638 128.4045 54.5676 37.6406 175.2059 115 G 3.9567 8.6567 104.7821 44.8109 0.0000 174.0194 116 G 4.0322 7.6231 109.5408 43.6041 0.0000 173.6658 117 T 4.3588 8.3122 120.8902 63.9468 68.9186 174.1643 118 V 4.4219 8.0068 123.0307 62.3513 33.3791 174.2583 119 D 4.6762 7.7468 117.0565 54.5120 44.3584 173.7644 120 E 5.5774 8.7854 120.3797 55.4543 34.1358 174.6688 121 K 4.5350 8.9086 119.9139 56.0231 36.2503 173.4645 122 C 5.5293 8.6142 124.2021 55.3432 42.0521 172.8070 123 F 4.8594 8.1678 115.9398 57.1001 41.1283 172.8076 124 S 4.7855 8.9531 114.3962 56.2135 65.1462 175.1861 125 V 3.4054 8.1661 119.4895 65.9476 31.0987 177.6107 126 D 4.2934 7.9187 118.5175 57.2864 40.5222 178.3817 127 E 3.9522 7.5899 116.5082 58.9933 29.6746 177.6977 128 I 3.8756 7.0570 109.9085 60.5677 37.7724 175.0764 129 V 4.0482 7.4929 123.5333 63.4451 32.3240 175.2121 130 Q 4.5382 8.7835 127.0863 53.4450 30.5471 172.8725 131 P 4.8514 0.0000 0.0000 61.8441 32.9432 175.4843 132 D 4.5347 8.4266 120.7795 53.1456 41.8577 174.6684 133 P 4.6202 0.0000 0.0000 61.6302 32.3477 174.5950 134 P 4.8293 0.0000 0.0000 62.6154 32.4295 175.1661 135 I 4.6178 8.3888 113.6648 58.5776 41.7502 174.5798 136 A 3.6445 8.2949 121.9035 53.4022 15.3546 178.5767 137 L 4.7182 7.7566 120.0372 55.2702 42.3148 178.1640 138 N 5.2453 8.5691 124.0896 52.6466 41.8149 173.8634 139 W 5.2205 8.3837 114.2238 57.6512 30.1926 173.3192 140 T 4.0508 7.8744 109.9424 60.3081 72.2339 171.6803 141 L 4.3329 8.0724 123.5986 55.4431 43.0362 173.3435 142 L 4.3617 8.8629 123.8197 54.8300 43.2188 178.1393 143 N 4.8177 8.6996 124.7483 53.4667 42.8775 173.9334 144 V 4.5975 8.1482 119.0573 61.8142 33.7838 173.5049 145 S 4.2165 8.8128 123.9118 58.3794 63.8961 175.7409 146 L 4.2337 8.5232 118.6462 55.8384 40.8976 177.3912 147 T 4.3093 8.4369 108.2044 64.4290 70.0814 174.5910 148 G 3.5835 8.0647 108.8662 44.4863 0.0000 174.6434 149 I 4.0132 7.8184 122.0885 64.0578 37.9189 175.3901 150 H 4.9192 8.1612 117.7320 54.9734 30.6812 173.8676 151 A 5.0625 9.2390 122.2444 50.4651 23.2492 174.5300 152 D 5.5495 8.5333 119.4776 52.8259 43.5592 175.8965 153 I 5.2407 8.5048 115.3299 59.4517 42.4913 173.4688 154 Q 4.7127 8.7541 122.2583 54.5235 32.0004 173.7530 155 V 4.9347 8.8386 127.3851 61.6781 33.7485 174.7511 156 R 4.6501 8.8435 122.7740 54.5969 33.5329 173.4543 157 W 5.1692 7.5737 115.7029 57.1761 31.5548 172.9590 158 E 4.9027 9.2020 118.9755 54.2672 31.8226 176.2590 159 A 4.8227 8.7047 124.6887 51.0152 19.3154 175.8365 160 P 4.4217 0.0000 0.0000 62.7442 31.9280 176.6480 161 R 4.0345 8.7763 119.2592 59.6111 30.6298 177.6420 162 N 4.6327 7.9886 115.2284 51.5580 36.4602 174.7323 163 A 4.3988 7.7723 124.8200 52.9245 20.6746 179.6021 *164 D 4.5215 9.6915 125.2135 53.6245 38.6542 171.0305 *165 I 3.6580 8.0663 121.5676 60.1615 36.1541 179.6401 *166 Q 4.6366 7.9940 118.4545 56.4440 31.0901 180.2517 *167 K 4.8481 8.7785 124.1043 54.6927 31.8435 182.1493 168 G 4.3031 8.6406 103.3781 45.5894 0.0000 172.8062 169 W 4.2830 8.1095 129.8242 60.0078 31.3818 175.2389 170 M 4.4331 7.7737 117.5168 53.9190 34.0065 174.5351 171 V 4.2276 8.1777 120.0885 60.2240 33.5852 175.8257 172 L 5.0167 8.3562 124.7470 53.3444 43.6917 175.5055 173 E 4.7191 8.6155 117.8090 54.9073 33.4635 173.8752 174 Y 5.0826 9.4606 119.1869 56.2818 41.8985 174.1126 175 E 4.9104 8.7982 124.1614 54.5175 31.7473 174.3928 176 L 4.8323 8.5058 129.1706 54.2109 44.3248 175.0310 177 Q 5.5225 9.3226 123.8696 54.6301 32.8270 173.8861 178 Y 6.1722 9.2705 119.5373 57.0725 41.8813 173.2964 179 K 4.3308 7.9992 118.0102 56.2579 35.4286 173.6261 180 E 4.3575 9.5060 121.2808 54.3741 30.7533 179.7963 181 V 4.0581 7.8774 123.3795 62.9524 30.4038 176.0244 182 N 4.6980 9.4095 113.5739 54.1069 41.1418 175.2938 183 E 3.9100 7.8788 120.1596 57.5267 29.7511 177.7233 184 T 3.9306 7.8782 114.9154 63.9456 69.1966 177.1777 185 K 4.3475 7.6066 123.8735 54.3470 32.6954 178.2068 186 W 4.7350 8.4260 118.0584 55.5253 31.7312 175.7123 187 K 4.3576 8.7378 123.3846 55.7556 33.0864 175.5234 188 M 5.1120 8.6489 124.6033 53.9292 33.9595 175.8731 189 M 4.5859 8.7789 123.8554 54.2665 33.7301 175.9485 190 D 4.6982 8.5626 119.6871 53.7128 41.7986 174.9999 191 P 4.8055 0.0000 0.0000 63.0488 32.3114 175.6874 192 I 4.7999 8.8614 122.0692 59.5534 41.2992 176.0218 193 L 4.5651 8.8262 126.7393 56.6258 42.1941 177.5885 194 T 4.3320 7.8176 108.1931 61.3869 69.8261 173.5976 195 T 3.7793 7.9637 109.8842 61.3490 69.0780 174.0131 196 S 4.2123 6.3465 116.3330 57.8951 67.6391 173.7860 197 V 4.2102 7.7578 116.0651 60.5729 34.5606 170.0438 198 P 4.6299 0.0000 0.0000 62.3533 32.7115 175.9515 199 V 3.8478 8.6060 122.4209 61.3043 33.5570 173.8861 200 Y 5.0872 8.0419 125.7520 57.6024 39.2607 175.6438 201 S 3.8268 8.6521 116.6771 59.6854 60.5941 171.6269 202 L 4.1609 8.7476 122.2000 53.8391 42.6633 177.7774 203 K 4.3288 8.6878 124.6969 56.7212 31.8222 177.2773 204 V 3.6784 9.6666 127.2596 65.6313 31.8604 176.7744 205 D 4.6644 7.7396 120.0193 51.2061 39.4672 174.5633 206 K 4.1376 6.9975 118.3426 55.7027 36.3578 173.9521 207 E 4.7527 7.8193 121.4519 54.7408 32.2247 174.0820 208 Y 5.2017 8.6937 123.3516 56.2942 41.8325 174.3856 209 E 4.7975 9.7034 123.3820 55.0209 32.1901 175.3171 210 V 5.3501 8.2578 121.8143 61.5888 35.6476 173.9918 211 R 4.8963 8.9313 122.2851 54.9586 33.3949 173.8859 212 V 4.8488 8.7371 121.0962 61.0397 35.0427 174.2227 213 R 4.7261 8.4392 123.5467 54.5019 32.4035 175.5889 214 S 4.9333 8.2485 116.9770 57.8621 65.5464 172.5992 215 K 4.3129 7.5931 117.6798 55.5976 36.0604 173.9547 216 Q 4.4163 8.2284 129.6879 56.2158 30.4110 176.0467 217 R 4.0291 8.4354 125.0712 57.4017 30.1043 174.5336 218 N 4.9135 10.2334 119.1948 52.7027 37.4483 174.2829 219 S 4.0640 7.0422 109.9650 58.2894 64.8885 173.8314 220 G 3.6173 8.3973 111.1377 45.8016 0.0000 171.3640 221 N 4.6113 7.4326 117.3534 51.5951 40.8998 173.2892 222 Y 4.3234 8.1359 118.0063 57.8337 39.1304 175.5800 223 G 4.3540 7.7958 108.1569 44.1973 0.0000 173.4409 224 E 4.2292 8.5711 119.0199 56.2493 30.2421 177.3045 225 F 4.3100 8.4610 120.5892 57.3798 40.1368 175.8231 226 S 4.5540 8.1916 116.0434 57.5776 64.8439 173.3460 227 E 4.1843 8.5658 119.1705 56.3290 29.7322 177.6818 228 V 3.8430 8.3845 123.7971 62.9127 32.9410 174.7195 229 L 4.6591 8.9860 129.2838 53.4445 44.4724 174.5956 230 Y 4.8049 8.6290 124.2940 57.2203 39.4392 175.2964 231 V 3.9310 9.0523 125.1440 61.5015 33.2675 174.5355 232 T 4.6600 8.5811 119.7523 59.7715 69.1112 174.8136 233 L 4.4012 8.3921 126.7125 55.3445 41.7519 177.3756 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 *31 K 8.31 4.34 0.00 1.79 1.80 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 32 E 7.40 4.67 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.36 0.00 33 P 0.00 4.74 0.00 2.15 2.21 0.00 3.71 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 1.84 1.93 0.00 34 K 8.83 4.77 0.00 1.70 1.83 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.59 7.81 35 F 9.74 5.09 0.00 3.14 3.08 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 36 T 9.36 4.39 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 1.30 0.00 0.00 37 K 7.66 4.47 0.00 1.83 1.66 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.37 7.81 38 C 8.66 5.56 0.00 2.34 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 9.20 4.83 0.00 1.78 1.71 0.00 3.18 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 40 S 9.04 5.63 0.00 3.88 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 41 P 0.00 4.57 0.00 2.30 2.32 0.00 3.99 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.03 0.00 42 E 7.70 4.73 0.00 2.15 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 2.34 2.28 0.00 43 R 8.60 3.87 0.00 1.91 2.15 0.00 3.17 0.00 0.00 2.91 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 44 E 8.40 4.94 0.00 2.23 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 2.42 2.33 0.00 45 T 9.73 4.98 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 1.30 0.00 0.00 46 F 8.23 5.50 0.00 3.01 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 47 S 9.19 5.27 0.00 3.94 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 48 C 9.26 5.61 0.00 3.23 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 10.08 5.39 0.00 2.97 3.05 0.00 5.59 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 W 7.79 5.91 0.00 3.21 3.14 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 51 T 8.70 4.57 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 1.28 0.00 0.00 52 D 8.56 4.57 0.00 2.73 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 *62 G 8.18 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.62 0.00 2.07 2.16 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 64 I 8.29 4.66 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.57 0.31 0.00 0.00 65 Q 8.88 4.67 0.00 1.96 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 66 L 8.82 5.23 0.00 1.53 1.44 1.32 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 67 F 9.23 5.61 0.00 3.30 3.26 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 0.00 68 Y 9.13 5.61 0.00 3.21 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 69 T 8.07 4.32 2.69 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 0.08 0.00 0.00 70 R 8.05 4.17 0.00 1.67 1.70 0.00 3.19 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.37 0.00 71 R 7.96 4.08 0.00 1.78 1.69 0.00 3.30 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 *78 Q 8.77 4.43 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.99 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 79 E 7.74 4.63 0.00 1.95 1.78 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 2.13 1.86 0.00 80 W 8.54 4.78 0.00 3.08 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.50 4.83 0.00 1.06 1.60 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.32 1.17 7.81 82 E 8.84 4.48 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.74 0.00 83 C 8.49 3.90 0.00 2.59 1.76 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 84 P 0.00 3.77 0.00 1.02 0.88 0.00 2.57 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.49 0.00 85 D 6.95 4.24 0.00 2.45 2.57 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 P 0.00 4.42 0.00 2.24 2.34 0.00 4.03 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.29 0.00 161 R 8.78 4.03 0.00 1.85 2.09 0.00 3.39 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 162 N 7.99 4.63 0.00 2.86 2.91 0.00 0.00 5.90 7.26 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 0.00 163 A 7.77 4.40 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 *164 D 9.69 4.52 0.00 2.79 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 *165 I 8.07 3.66 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.96 0.91 0.00 0.00 *166 Q 7.99 4.64 0.00 2.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.03 0.00 0.00 0.00 0.00 0.00 2.16 1.89 0.00 *167 K 8.78 4.85 0.00 1.77 0.74 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.36 1.00 7.81 168 G 8.64 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 0.00 0.00 0.00 0.00 169 W 8.11 4.28 0.00 3.39 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 M 7.77 4.43 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 171 V 8.18 4.23 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 0.67 0.00 0.00 0.86 0.00 0.00 172 L 8.36 5.02 0.00 1.15 1.01 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 173 E 8.62 4.72 0.00 2.02 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 2.01 2.14 0.00 174 Y 9.46 5.08 0.00 2.95 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 0.00 175 E 8.80 4.91 0.00 2.07 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 2.11 2.35 0.00 176 L 8.51 4.83 0.00 1.75 1.56 1.02 0.77 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 0.00 177 Q 9.32 5.52 0.00 1.57 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.40 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 178 Y 9.27 6.17 0.00 3.18 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 K 8.00 4.33 0.00 1.57 1.40 0.00 0.87 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.30 0.56 7.81 180 E 9.51 4.36 0.00 1.58 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.24 0.00 181 V 7.88 4.06 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 0.74 0.00 0.00 0.96 0.00 0.00 182 N 9.41 4.70 0.00 2.53 2.60 0.00 0.00 6.83 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 E 7.88 3.91 0.00 1.92 1.78 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 2.29 2.23 0.00 184 T 7.88 3.93 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 185 K 7.61 4.35 0.00 1.77 1.63 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.03 7.81 186 W 8.43 4.73 0.00 2.96 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 0.00 187 K 8.74 4.36 0.00 0.79 1.47 0.00 1.02 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.18 7.81 188 M 8.65 5.11 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 189 M 8.78 4.59 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.63 0.00 190 D 8.56 4.70 0.00 2.62 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 0.00 191 P 0.00 4.81 0.00 1.99 2.08 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 192 I 8.86 4.80 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.01 1.34 0.00 0.00 193 L 8.83 4.57 0.00 1.73 1.77 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 194 T 7.82 4.33 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 1.21 0.00 0.00 195 T 7.96 3.78 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 196 S 6.35 4.21 0.00 3.42 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 V 7.76 4.21 2.25 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 0.97 0.00 0.00 0.95 0.00 0.00 198 P 0.00 4.63 0.00 1.37 1.95 0.00 3.61 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 199 V 8.61 3.85 1.73 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 0.17 0.00 0.00 0.62 0.00 0.00 200 Y 8.04 5.09 0.00 2.94 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 0.00 201 S 8.65 3.83 0.00 4.18 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 0.00 202 L 8.75 4.16 0.00 1.43 1.18 0.17 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 203 K 8.69 4.33 0.00 1.84 1.79 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.44 7.81 204 V 9.67 3.68 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 0.75 0.00 0.00 1.07 0.00 0.00 205 D 7.74 4.66 0.00 2.67 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 0.00 206 K 7.00 4.14 0.00 1.98 1.15 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.16 1.26 7.81 207 E 7.82 4.75 0.00 2.02 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 2.24 2.36 0.00 208 Y 8.69 5.20 0.00 2.89 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 0.00 209 E 9.70 4.80 0.00 1.32 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 2.27 2.09 0.00 210 V 8.26 5.35 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 0.98 0.00 0.00 0.90 0.00 0.00 211 R 8.93 4.90 0.00 1.61 1.68 0.00 2.21 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.32 0.00 212 V 8.74 4.85 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 0.23 0.00 0.00 0.35 0.00 0.00 213 R 8.44 4.73 0.00 1.51 0.83 0.00 2.21 0.00 0.00 2.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.01 0.00 214 S 8.25 4.93 0.00 3.86 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 0.00 215 K 7.59 4.31 0.00 1.23 1.40 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.56 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.90 0.77 7.81 216 Q 8.23 4.42 0.00 2.02 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 217 R 8.44 4.03 0.00 1.85 1.70 0.00 3.34 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 218 N 10.23 4.91 0.00 2.72 3.09 0.00 0.00 6.79 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 S 7.04 4.06 0.00 3.93 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 G 8.40 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 0.00 0.00 0.00 221 N 7.43 4.61 0.00 2.73 2.63 0.00 0.00 7.25 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 0.00 222 Y 8.14 4.32 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 G 7.80 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 0.00 0.00 0.00 0.00 224 E 8.57 4.23 0.00 1.81 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 225 F 8.46 4.31 0.00 2.84 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 0.00 226 S 8.19 4.55 0.00 3.95 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 0.00 227 E 8.57 4.18 0.00 1.89 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 2.33 2.33 0.00 228 V 8.38 3.84 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 0.36 0.00 0.00 0.90 0.00 0.00 229 L 8.99 4.66 0.00 1.63 1.53 0.88 1.03 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 0.00 230 Y 8.63 4.80 0.00 3.00 3.05 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 0.00 231 V 9.05 3.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.21 0.00 0.00 232 T 8.58 4.66 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 1.33 0.00 0.00 233 L 8.39 4.40 0.00 1.91 1.74 0.98 1.07 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 * Residues marked with a * may have inaccurate shift predictions.