NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 E 4.1814 8.2914 120.2271 57.4447 30.6778 176.4805 53 G 3.8053 8.7639 110.8097 45.1088 0.0000 171.2103 54 I 4.3847 8.0237 123.0397 60.9072 38.7169 174.0926 55 K 4.6198 9.1663 126.2592 54.4679 35.8503 175.3245 56 V 4.8288 7.6470 121.2493 61.1709 34.7443 174.4805 57 F 4.9753 9.2389 125.8870 55.4208 42.4399 173.9577 58 L 3.8869 8.2127 125.9970 54.6021 42.3633 175.8272 59 H 4.3299 8.7536 127.2328 56.5368 31.0525 174.5319 60 E 3.7188 8.6211 122.2951 57.0315 27.2158 176.7662 61 R 3.9888 8.1786 119.9653 59.8834 30.0146 176.9258 62 E 3.9986 8.1469 117.7912 59.1801 29.6338 178.9324 63 L 3.9294 7.8356 119.8442 57.9453 42.3223 178.5513 64 W 4.3106 8.0049 118.7421 60.1475 28.9865 178.4601 65 L 4.2544 8.3815 118.6337 57.6341 40.9368 179.5950 66 K 3.8782 8.0170 118.3965 59.7007 31.9810 179.2967 67 F 4.1535 8.1516 117.4041 60.8151 38.6127 177.2188 68 H 4.3024 8.8634 117.1777 59.4567 29.7523 176.7125 69 E 4.1072 8.4841 119.7844 59.4911 29.3515 179.1672 70 V 4.0769 7.2959 115.9595 64.0052 32.4622 175.8260 71 G 4.3229 8.1161 108.2517 45.5524 0.0000 172.5230 72 T 4.2827 8.5278 122.2793 63.9683 69.8651 172.7337 73 E 5.4365 9.0068 124.3359 54.8837 33.1830 175.0555 74 M 4.7978 8.7657 122.6690 53.3069 35.2153 175.2415 75 I 4.4466 8.5110 124.9598 61.1937 38.0080 175.3786 76 I 4.7694 8.5437 120.1928 59.3617 40.2409 174.6722 77 T 4.6982 8.1639 113.0373 59.8404 72.3664 174.6562 78 K 3.8933 8.9571 122.7320 59.6663 32.2591 178.0611 79 A 4.1647 7.9229 119.6732 53.3216 18.6774 178.0453 80 G 3.9959 8.0270 103.9092 45.3925 0.0000 173.2634 81 R 4.5111 8.8553 122.4989 53.9043 32.9538 175.1712 82 R 4.6455 8.2859 123.0425 55.8536 30.8235 176.2863 83 M 4.2355 8.1671 119.6989 55.0239 32.8505 176.0031 84 F 4.3996 8.0638 122.7617 55.5326 42.2302 172.8570 85 P 2.9700 0.0000 0.0000 61.7222 31.5701 176.0806 86 S 4.3530 7.7101 115.9351 58.8248 63.9780 173.7028 87 Y 4.6698 8.8289 124.9373 56.8531 39.5663 174.1385 88 K 5.4595 8.4777 125.5737 54.8536 36.7311 175.8931 89 V 4.8901 8.8471 115.3147 59.5756 36.5637 174.1030 90 K 4.8833 9.2099 124.3875 54.7795 34.3127 175.0148 91 V 5.1123 8.5667 126.7916 61.3837 34.0385 174.4235 92 T 4.6645 8.8855 116.5559 60.7053 72.5460 174.6957 93 G 4.0637 9.0377 109.6380 46.5908 0.0000 173.6821 94 L 4.1390 7.3587 118.6035 53.6561 42.5530 176.1870 95 N 4.6031 9.0301 120.9806 52.7996 39.1540 174.1956 96 P 4.4678 0.0000 0.0000 65.1541 31.7454 178.3280 97 K 4.2719 8.6285 116.6816 58.1428 33.2328 177.4863 98 T 4.2664 7.7751 115.2281 63.4091 69.7779 174.3429 99 K 5.0778 9.3052 124.2969 56.1302 34.1867 175.5760 100 Y 5.6296 9.7088 120.4452 56.5866 42.7907 174.1466 101 I 4.8767 9.2224 123.6822 59.7281 39.6509 174.5136 102 L 5.2109 8.1765 126.7561 52.9162 44.1705 175.5972 103 L 5.3778 8.7818 122.2440 55.0656 44.6376 174.2919 104 M 5.2843 9.5849 118.6058 53.5632 36.1849 174.4255 105 D 5.1954 8.6795 119.8129 51.8006 44.0203 174.4503 106 I 4.8983 8.2215 118.2775 59.9531 39.8980 175.4771 107 V 4.5571 8.4076 120.5756 58.4751 34.7772 173.9619 108 P 4.5196 0.0000 0.0000 63.4874 31.0458 176.6090 109 A 4.3033 8.5903 126.2335 54.1363 19.4115 176.3758 110 D 4.4036 7.4709 112.2361 53.3107 41.8007 174.2578 111 D 4.9466 8.1247 116.7878 54.9008 41.5672 175.3047 112 H 5.3829 8.4551 112.6637 53.6166 32.3952 173.6800 113 R 4.6611 8.4891 119.6915 54.8673 32.8926 174.1170 114 Y 5.4823 8.8988 121.2674 56.2217 41.9431 174.8942 115 K 4.8897 9.4574 121.4697 54.9247 36.2196 174.5826 116 F 4.5662 8.6466 128.8050 56.5775 40.1620 174.7327 117 A 4.3055 8.1361 127.9841 52.0254 22.3863 175.3002 118 D 4.1249 9.1126 119.4735 55.8003 38.5696 173.2733 119 N 3.9575 7.5689 108.3658 53.2416 36.5529 174.7645 120 K 4.4107 6.0318 116.0285 54.9033 35.8302 173.8731 121 W 5.1558 8.8328 125.8429 56.4616 30.0500 175.8801 122 S 4.9844 9.4121 119.9979 56.4838 66.8379 173.5049 123 V 3.8491 8.5298 123.5387 63.1038 31.5586 175.6406 124 T 4.4565 9.0120 116.9345 60.8295 70.0715 174.2607 125 G 3.8233 7.0337 109.0396 45.8635 0.0000 171.4552 126 K 4.6272 8.2831 119.9835 55.5667 33.0787 177.5127 127 A 4.2533 8.3964 127.7773 52.1762 18.9210 177.5383 128 E 4.3089 9.0424 120.0645 55.1029 30.7671 175.2094 129 P 4.1912 0.0000 0.0000 63.0272 32.0060 177.6772 130 A 4.1985 8.1581 124.8803 51.7611 19.6876 176.6502 *134 R 4.1772 8.1337 113.4765 56.3687 31.2399 174.7886 135 L 5.0121 8.2095 118.4395 53.1649 45.5279 175.5421 136 Y 4.5942 8.9671 123.5743 55.9920 40.6724 174.5310 137 V 4.2999 7.9141 127.4560 61.8039 32.8386 175.1001 138 H 4.0131 9.2632 128.8289 55.7990 30.1165 174.3700 139 P 4.1578 0.0000 0.0000 65.7781 31.3070 177.1039 140 D 4.4853 8.2764 115.5220 55.7141 41.1573 176.6430 141 S 4.7093 8.2242 116.5469 58.1059 63.3325 172.5699 142 P 5.1271 0.0000 0.0000 62.3346 32.6760 174.9705 143 A 4.7821 9.2296 122.3729 50.3911 23.1521 176.2322 144 T 4.5936 8.4908 109.2926 61.3220 69.9154 175.6957 145 G 4.0689 9.2398 110.1811 48.2940 0.0000 175.7756 146 A 4.0860 7.8001 121.5672 55.3254 18.5536 178.9582 147 H 4.1276 8.0733 116.3903 59.3270 29.7517 177.5737 148 W 4.4056 7.7650 119.2592 59.8861 28.9574 177.7951 149 M 4.3651 8.1332 116.6726 56.7088 31.7247 178.1699 150 R 4.1170 7.4798 119.2356 58.5568 30.5463 175.3644 151 Q 4.5493 7.5169 113.1159 54.1219 31.8642 173.6162 152 L 4.1772 8.3709 117.2972 55.5532 42.5574 177.7374 153 V 4.1949 8.9424 123.3969 61.8810 32.4795 174.2863 154 S 5.1540 8.6684 123.1912 56.4210 64.1192 173.8312 155 F 4.9343 9.0428 125.6511 57.2316 39.4451 177.6589 156 Q 4.1849 8.0166 120.9438 58.6767 28.4546 177.4823 157 K 4.1198 7.9182 116.8088 57.8748 32.6710 176.9014 158 L 3.6161 7.5186 122.6601 55.0590 43.0323 175.9770 159 K 4.8167 8.5529 124.0844 54.5444 36.1629 174.6568 160 L 5.1409 8.6925 123.3857 53.4224 44.2045 175.5460 161 T 5.7872 8.9973 116.7384 59.4336 71.2018 173.7576 162 N 4.9873 8.8055 120.9710 51.7893 38.3616 174.4667 163 N 4.6246 8.1720 119.6106 53.1977 38.2408 175.1478 164 H 4.3801 8.9277 123.5094 57.6283 29.0161 176.3804 165 L 4.6491 8.1188 119.1578 54.0242 41.9175 175.9096 166 D 4.2855 7.8468 119.1325 54.4597 41.2340 174.6289 167 P 4.4217 0.0000 0.0000 63.2930 32.0888 176.2579 168 F 4.4842 7.9638 116.5936 57.7101 39.3360 176.3271 169 G 3.8856 8.3077 108.2150 46.2155 0.0000 173.2805 170 H 4.7370 8.3868 116.6055 55.1778 30.1598 175.1720 171 I 4.0996 8.3139 121.1187 60.9768 37.9780 175.5592 172 I 4.6276 8.3127 128.8843 60.7471 37.3989 175.4114 173 L 4.7074 8.9152 126.5182 52.8637 45.5841 175.1726 174 N 5.1224 9.1855 118.5523 51.3348 40.0994 175.2797 175 S 4.3823 8.6934 117.5789 60.1376 63.1328 173.3874 176 M 3.4225 9.8454 124.9100 56.5572 30.1132 175.7571 177 H 5.2189 7.8977 114.3988 53.8671 32.4305 172.9750 178 K 4.6140 8.1753 121.8791 55.4287 34.0704 174.8187 179 Y 5.0898 8.6003 123.4286 56.1686 43.0190 174.2627 180 Q 4.6401 9.1059 122.1039 53.6651 31.8442 172.8289 181 P 4.8996 0.0000 0.0000 62.7272 32.4784 176.3264 182 R 4.6796 8.8730 121.6031 54.3382 34.6436 173.7425 183 L 4.7882 8.4842 124.9996 53.7434 44.3741 174.6678 184 H 5.5642 9.2434 123.1576 54.0668 32.3698 172.8683 185 I 4.9420 8.8686 122.9333 59.5503 40.2432 174.4976 186 V 5.0071 9.1319 127.7877 61.0369 33.7893 174.2924 187 K 4.7470 9.0300 129.3895 54.9620 33.4487 175.9733 188 A 3.2625 8.0446 128.5193 51.4881 19.5673 176.9329 189 D 4.5265 8.1459 121.0552 52.9157 41.4902 177.5213 190 E 4.0579 8.6540 113.8687 59.1586 29.5818 173.1866 191 N 4.6210 8.2731 112.8796 52.8992 38.7574 174.4733 192 N 3.9780 8.4013 116.2934 54.5747 37.8933 173.3640 193 G 4.1642 7.8087 103.7009 43.0308 0.0000 172.1797 194 F 5.0515 8.6369 116.4773 56.3093 42.4027 174.3409 195 G 4.2348 9.2558 110.4781 46.0457 0.0000 175.1519 196 S 4.4286 7.7795 112.0630 59.5694 63.8232 174.1583 197 K 4.6342 7.4595 118.5923 54.6529 35.8632 175.2240 198 N 4.5032 8.7563 120.2172 53.4354 38.9015 174.9798 199 T 4.5663 8.2402 112.5907 59.1895 71.7370 173.5146 200 A 4.4982 8.2535 123.2557 52.2181 19.4545 176.5341 201 F 5.5428 8.4457 114.8177 55.6724 41.2244 173.1057 202 C 4.8625 9.1914 114.4885 56.7508 33.2203 172.7237 203 T 5.0930 8.2284 115.3264 62.1769 71.7106 172.9724 204 H 4.6072 9.3031 123.5315 53.7492 31.7229 173.0750 205 V 4.4006 8.0210 122.8814 61.0758 33.7314 174.8788 206 F 4.5777 8.5685 127.5013 55.2007 39.1692 174.6542 207 P 4.3798 0.0000 0.0000 65.4966 31.2615 178.2424 208 E 3.7703 8.1140 113.1657 57.4160 29.6070 176.9717 209 T 3.9592 7.5820 108.9772 61.2492 69.1904 174.6393 210 A 4.5743 7.7644 124.5102 52.7585 19.2834 176.9896 211 F 4.9752 8.4452 113.1574 56.2593 42.1049 172.7548 212 I 4.7191 8.4293 120.7153 59.5901 39.0567 175.1232 213 A 5.0213 8.9731 129.3228 52.1709 19.6425 176.8044 214 V 4.8779 8.9034 114.2309 60.3691 36.2449 176.4572 215 T 4.2931 8.6930 117.8204 64.3023 69.3576 175.2329 216 S 4.4441 7.4371 113.7699 56.7158 65.5444 173.7750 217 Y 4.6463 8.1638 120.3478 58.7698 38.3897 175.6731 218 Q 4.2768 9.7265 123.6984 57.5729 30.3193 175.8345 219 N 4.1861 7.9248 117.5718 52.5050 39.6537 175.4430 220 H 4.2372 8.9333 122.1209 58.8270 28.4940 177.7653 221 K 3.8623 7.9083 121.1614 59.0790 31.7760 179.4435 222 I 3.6116 7.5177 119.8250 64.6359 37.1945 178.3291 223 T 3.4943 7.7034 116.0170 66.7934 68.1812 176.4309 224 Q 3.9417 8.0539 119.6127 58.8340 28.6072 178.7465 225 L 3.7723 7.8226 119.9477 57.5825 41.5482 179.5371 226 K 4.0974 8.4182 118.6941 59.7242 31.8044 179.4081 227 I 3.6074 7.2523 117.8996 64.5066 37.1719 178.3006 228 E 4.0866 8.2323 117.7627 58.5135 29.2458 178.0940 229 N 4.9522 7.7981 114.6635 53.1434 40.8355 173.9464 230 N 4.2000 8.1688 123.0589 53.3257 38.8634 174.1669 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 52 E 8.29 4.18 0.00 2.05 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 2.28 2.31 0.00 53 G 8.76 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.02 4.38 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.58 0.82 0.00 0.00 55 K 9.17 4.62 0.00 1.70 1.24 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.35 7.81 56 V 7.65 4.83 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 0.93 0.00 0.00 0.52 0.00 0.00 57 F 9.24 4.98 0.00 3.01 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.21 3.89 0.00 0.27 0.94 -0.14 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.75 4.33 0.00 3.15 3.26 0.00 6.16 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.62 3.72 0.00 2.16 1.88 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 2.12 1.85 0.00 61 R 8.18 3.99 0.00 1.95 1.94 0.00 3.30 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 62 E 8.15 4.00 0.00 2.05 1.99 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 2.41 2.38 0.00 63 L 7.84 3.93 0.00 1.70 1.66 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 64 W 8.00 4.31 0.00 3.61 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.38 4.25 0.00 1.97 1.80 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.02 3.88 0.00 1.94 1.61 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.66 7.81 67 F 8.15 4.15 0.00 3.28 3.13 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 68 H 8.86 4.30 0.00 3.50 3.65 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.48 4.11 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 70 V 7.30 4.08 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 0.83 0.00 0.00 0.91 0.00 0.00 71 G 8.12 4.32 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 0.00 0.00 0.00 72 T 8.53 4.28 4.68 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 1.34 0.00 0.00 73 E 9.01 5.44 0.00 2.13 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 0.00 2.49 2.72 0.00 74 M 8.77 4.80 0.00 1.55 1.42 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.08 0.00 75 I 8.51 4.45 1.75 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.23 0.79 0.00 0.00 76 I 8.54 4.77 1.89 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 1.52 0.70 0.95 0.00 0.00 77 T 8.16 4.70 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 1.18 0.00 0.00 78 K 8.96 3.89 0.00 1.78 1.93 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.51 7.81 79 A 7.92 4.16 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 80 G 8.03 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 0.00 0.00 0.00 81 R 8.86 4.51 0.00 1.78 1.77 0.00 3.11 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 82 R 8.29 4.65 0.00 1.82 1.84 0.00 3.30 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 83 M 8.17 4.24 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 84 F 8.06 4.40 0.00 2.81 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 0.00 85 P 0.00 2.97 0.00 0.49 0.80 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.83 0.00 86 S 7.71 4.35 0.00 3.76 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 87 Y 8.83 4.67 0.00 3.17 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 88 K 8.48 5.46 0.00 1.77 1.68 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.56 7.81 89 V 8.85 4.89 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 0.54 0.00 0.00 1.17 0.00 0.00 90 K 9.21 4.88 0.00 1.83 1.79 0.00 1.53 0.00 0.00 1.45 0.00 0.00 2.69 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.40 7.81 91 V 8.57 5.11 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 0.82 0.00 0.00 0.92 0.00 0.00 92 T 8.89 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 1.34 0.00 0.00 93 G 9.04 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 0.00 0.00 0.00 94 L 7.36 4.14 0.00 1.66 1.50 0.83 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 95 N 9.03 4.60 0.00 2.90 2.93 0.00 0.00 7.30 7.87 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 96 P 0.00 4.47 0.00 2.27 2.16 0.00 3.70 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 97 K 8.63 4.27 0.00 1.86 1.88 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.56 7.81 98 T 7.78 4.27 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 99 K 9.31 5.08 0.00 1.79 2.06 0.00 1.87 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.46 7.81 100 Y 9.71 5.63 0.00 3.05 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 0.00 101 I 9.22 4.88 1.79 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.11 0.83 0.00 0.00 102 L 8.18 5.21 0.00 0.61 1.47 -0.13 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.78 5.38 0.00 1.94 1.76 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 104 M 9.58 5.28 0.00 1.52 1.73 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.78 0.00 105 D 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3.06 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 114 Y 8.90 5.48 0.00 3.03 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 0.00 115 K 9.46 4.89 0.00 1.88 1.66 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.44 7.81 116 F 8.65 4.57 0.00 1.51 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 0.00 117 A 8.14 4.31 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 0.00 118 D 9.11 4.12 0.00 2.65 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 0.00 119 N 7.57 3.96 0.00 2.78 2.89 0.00 0.00 6.91 7.61 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 0.00 120 K 6.03 4.41 0.00 1.60 1.53 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.43 7.81 121 W 8.83 5.16 0.00 3.32 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.22 4.71 0.00 3.85 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 0.00 142 P 0.00 5.13 0.00 2.13 1.86 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.65 0.00 143 A 9.23 4.78 0.43 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 0.00 0.00 144 T 8.49 4.59 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 1.24 0.00 0.00 145 G 9.24 4.07 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 0.00 0.00 0.00 146 A 7.80 4.09 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 0.00 147 H 8.07 4.13 0.00 3.13 3.16 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 W 7.77 4.41 0.00 3.47 3.16 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 0.00 149 M 8.13 4.37 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.83 0.00 150 R 7.48 4.12 0.00 1.99 1.89 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 151 Q 7.52 4.55 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 152 L 8.37 4.18 0.00 1.53 1.65 0.59 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 153 V 8.94 4.19 2.26 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 0.91 0.00 0.00 1.16 0.00 0.00 154 S 8.67 5.15 0.00 3.98 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 0.00 155 F 9.04 4.93 0.00 3.50 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 0.00 156 Q 8.02 4.18 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.84 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 157 K 7.92 4.12 0.00 1.89 1.99 0.00 1.82 0.00 0.00 1.69 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 166 D 7.85 4.29 0.00 2.77 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 0.00 167 P 0.00 4.42 0.00 1.60 1.87 0.00 2.75 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 1.23 1.79 0.00 168 F 7.96 4.48 0.00 2.85 2.84 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 0.00 0.00 0.00 0.00 169 G 8.31 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 H 8.39 4.74 0.00 3.23 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 I 8.31 4.10 1.85 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 1.26 0.99 0.84 0.00 0.00 172 I 8.31 4.63 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.62 0.70 0.00 0.00 173 L 8.92 4.71 0.00 1.45 1.20 0.88 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 174 N 9.19 5.12 0.00 2.61 2.70 0.00 0.00 6.98 7.14 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 0.00 175 S 8.69 4.38 0.00 3.93 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 M 9.85 3.42 0.00 2.67 2.31 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.81 0.00 177 H 7.90 5.22 0.00 3.30 2.78 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 K 8.18 4.61 0.00 1.47 1.50 0.00 1.25 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 1.25 7.81 179 Y 8.60 5.09 0.00 1.81 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 0.00 180 Q 9.11 4.64 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 181 P 0.00 4.90 0.00 1.79 1.69 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 182 R 8.87 4.68 0.00 1.67 1.58 0.00 3.09 0.00 0.00 3.60 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 183 L 8.48 4.79 0.00 1.78 1.54 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 184 H 9.24 5.56 0.00 3.05 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 I 8.87 4.94 1.90 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.79 0.85 0.00 0.00 186 V 9.13 5.01 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 1.02 0.00 0.00 0.90 0.00 0.00 187 K 9.03 4.75 0.00 2.01 1.85 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.05 7.81 188 A 8.04 3.26 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 D 8.15 4.53 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 E 8.65 4.06 0.00 2.01 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 2.23 1.91 0.00 191 N 8.27 4.62 0.00 2.77 2.83 0.00 0.00 6.97 7.61 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 0.00 192 N 8.40 3.98 0.00 2.71 2.83 0.00 0.00 6.83 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 0.00 193 G 7.81 4.16 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 0.00 194 F 8.64 5.05 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 0.00 195 G 9.26 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 0.00 0.00 0.00 0.00 196 S 7.78 4.43 0.00 3.98 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 0.00 197 K 7.46 4.63 0.00 1.69 1.69 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.45 7.81 198 N 8.76 4.50 0.00 2.74 2.81 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 0.00 199 T 8.24 4.57 4.36 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 1.27 0.00 0.00 200 A 8.25 4.50 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 0.00 201 F 8.45 5.54 0.00 3.25 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 C 9.19 4.86 0.00 2.90 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 T 8.23 5.09 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 1.12 0.00 0.00 204 H 9.30 4.61 0.00 2.86 2.79 0.00 5.55 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 V 8.02 4.40 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 0.74 0.00 0.00 0.82 0.00 0.00 206 F 8.57 4.58 0.00 2.97 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 0.00 207 P 0.00 4.38 0.00 2.15 2.10 0.00 3.62 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 208 E 8.11 3.77 0.00 2.05 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 2.11 2.22 0.00 209 T 7.58 3.96 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 210 A 7.76 4.57 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 0.00 211 F 8.45 4.98 0.00 3.33 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 8.43 4.72 1.26 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 0.49 0.35 0.63 0.00 0.00 213 A 8.97 5.02 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.90 4.88 2.35 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 1.00 0.00 0.00 1.00 0.00 0.00 215 T 8.69 4.29 4.28 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 1.21 0.00 0.00 216 S 7.44 4.44 0.00 3.90 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 0.00 217 Y 8.16 4.65 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 Q 9.73 4.28 0.00 1.71 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 219 N 7.92 4.19 0.00 1.87 2.52 0.00 0.00 7.05 7.49 0.00 0.00 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 H 8.93 4.24 0.00 3.39 3.56 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 K 7.91 3.86 0.00 1.73 1.78 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.28 1.19 7.81 222 I 7.52 3.61 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.89 0.67 0.00 0.00 223 T 7.70 3.49 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 1.24 0.00 0.00 224 Q 8.05 3.94 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 225 L 7.82 3.77 0.00 1.50 0.84 0.41 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 226 K 8.42 4.10 0.00 1.67 1.74 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 0.85 7.81 227 I 7.25 3.61 1.82 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 1.48 0.53 0.87 0.00 0.00 228 E 8.23 4.09 0.00 1.88 1.99 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 2.31 2.45 0.00 229 N 7.80 4.95 0.00 3.08 3.18 0.00 0.00 6.83 7.88 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 0.00 230 N 8.17 4.20 0.00 1.44 2.10 0.00 0.00 7.05 7.17 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 * Residues marked with a * may have inaccurate shift predictions.