NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 I 4.3978 8.2604 117.9536 61.1252 36.1552 172.1535 32 A 4.0312 9.5912 133.3652 50.7035 17.9442 176.2654 33 Q 4.0818 8.3491 121.2657 56.1560 30.1733 171.9384 34 G 3.6391 9.1132 113.3265 46.4415 0.0000 170.5338 35 T 5.0275 8.0533 114.3832 61.0000 70.8848 173.9375 36 R 4.8611 7.9753 116.3332 54.8315 33.0157 174.2747 37 V 4.3372 8.8124 120.2964 61.1294 34.0033 174.2314 38 V 4.7222 8.4187 127.7327 61.3083 33.2361 174.4168 39 F 4.5814 9.5694 131.6190 55.6973 41.3337 172.2102 40 P 4.7854 0.0000 0.0000 61.9994 32.0549 176.7489 41 A 4.0850 8.4725 127.2230 55.2387 18.1805 179.1471 42 S 4.2523 8.2127 108.5890 60.9297 63.4259 174.7130 43 E 4.3220 8.2275 120.5012 56.0908 30.1108 176.7540 44 R 4.6283 8.5525 119.8217 57.9425 31.1534 176.0734 45 E 5.6268 7.7267 112.9960 55.5000 32.5838 175.1034 46 V 4.5432 9.0852 114.1166 59.9175 35.9864 175.2907 47 T 4.9525 8.2798 113.9519 60.7088 71.6078 173.3855 48 L 4.4001 8.2191 121.0457 54.2271 46.0977 173.6415 49 R 4.9805 8.5274 124.9041 54.9846 32.4998 175.4586 50 V 4.5444 8.5719 116.4765 59.7420 34.5110 174.8605 51 S 5.0503 8.7363 121.4840 57.1373 65.4494 172.8977 52 N 4.9165 8.9381 123.1167 52.5180 39.3137 175.1768 53 T 4.0662 8.6133 121.6289 63.4571 68.3161 174.7823 54 S 4.4741 7.8987 116.5194 58.0946 64.3194 174.3706 55 G 4.0894 8.5391 107.5915 45.6227 0.0000 173.2303 56 T 4.8361 7.1836 109.2604 58.5843 71.0924 172.6562 57 P 4.7189 0.0000 0.0000 63.5575 32.1381 175.7408 58 V 4.6322 8.2708 113.7050 59.7250 36.4349 174.3795 59 L 4.9737 8.3487 123.1054 53.7989 43.6125 175.4698 60 A 5.1302 9.7596 126.3910 50.2902 21.4810 174.7874 61 Q 5.2231 9.4263 124.6688 54.6366 31.3855 174.2897 62 A 5.7703 9.2673 127.4240 49.1409 22.3448 175.1026 63 W 4.8418 8.1815 115.3552 55.9157 31.2397 172.9801 64 I 5.1398 8.7596 122.1012 59.7292 39.1994 174.3946 65 D 5.3306 9.1189 125.2715 51.5307 43.2360 175.7615 66 D 5.1596 8.9016 114.8556 53.1359 39.6015 176.0706 67 G 3.7869 8.6401 111.7417 46.4564 0.0000 175.1995 68 R 4.0695 7.9742 120.1275 56.3141 29.9616 176.2527 69 Q 4.6384 8.6886 121.0787 55.6981 29.4247 175.5918 70 D 5.0035 7.9657 116.1042 52.7378 39.7979 176.0003 71 V 4.4844 7.3951 110.7229 59.2944 35.8600 172.8584 72 P 4.1598 0.0000 0.0000 62.5312 31.8123 175.3617 73 P 4.3456 0.0000 0.0000 66.4241 30.7452 178.1184 74 E 4.0091 8.2556 117.4789 59.2778 29.1623 178.3699 75 E 4.3033 7.9551 115.6910 57.4795 29.8042 178.0525 76 L 4.2568 8.0849 118.7726 54.5455 42.7270 176.2847 77 Q 3.3653 7.8128 117.0774 56.7143 27.2056 174.7713 78 V 3.9273 7.4630 110.0630 61.0445 32.7467 175.1269 79 P 4.3592 0.0000 0.0000 63.3080 31.8961 175.2203 80 F 5.4901 7.8577 117.8183 56.4792 42.4371 174.7496 81 S 4.9774 8.8854 115.9721 56.5305 66.4733 172.9059 82 V 4.9393 8.4589 120.4363 61.5982 33.8293 174.5630 83 T 4.8412 8.9893 125.1019 61.0961 70.9809 172.1025 84 P 4.8608 0.0000 0.0000 62.2413 32.9242 176.9632 85 A 4.2909 8.7304 122.6100 54.3426 19.6763 177.4931 86 V 4.9313 7.3402 111.5221 61.5816 34.4536 175.0155 87 T 4.7418 9.2759 121.6553 60.3187 71.1280 172.6774 88 R 4.4890 8.6761 128.5280 56.2625 31.2904 175.5668 89 V 4.4175 8.6415 125.2852 60.7859 34.1812 174.7601 90 E 4.2535 9.0687 127.6619 55.7580 30.3034 175.2435 91 P 4.2240 0.0000 0.0000 63.9584 31.5660 176.1097 92 N 4.2276 8.3233 121.0206 53.7441 36.7024 172.2278 93 G 4.1822 7.8438 104.2356 46.1362 0.0000 172.0972 94 G 4.6135 8.5014 104.3935 45.1044 0.0000 172.4808 95 A 4.9675 9.0224 123.8196 49.8007 22.8702 175.2813 96 V 4.7359 8.2359 118.2486 61.2388 33.8184 174.6996 97 L 4.9217 9.0832 127.9545 53.0447 44.7287 175.3380 98 R 4.7923 9.1847 122.6093 54.7221 32.8706 174.2495 99 I 4.9915 9.0800 128.1924 59.9515 39.1629 174.4390 100 A 5.4913 8.7652 129.2671 50.3328 21.6215 174.3845 101 Y 4.5707 8.9782 124.1340 56.5013 39.9341 174.9431 102 L 3.9327 8.3430 130.2886 53.6534 42.2651 175.5483 103 K 3.3974 7.2807 128.3201 55.4492 31.1474 174.8612 104 A 4.5109 7.7537 128.6514 48.9247 22.1288 173.6568 105 P 4.2983 0.0000 0.0000 63.3395 30.8033 175.7069 106 L 4.9115 8.0284 122.3385 51.6574 45.2501 175.1051 107 P 4.4020 0.0000 0.0000 63.6031 31.6997 176.6795 108 T 4.4254 8.5228 110.8458 62.2757 69.6743 175.0150 109 D 4.9227 7.9028 119.8924 52.7253 40.0358 175.6353 110 R 4.5673 7.4656 113.9468 54.9696 31.8014 174.3570 111 E 4.4991 8.3900 119.3735 57.1370 30.3685 176.6297 112 S 5.0640 9.5853 118.8261 56.8501 66.1659 172.7739 113 L 4.6451 8.2876 125.0172 53.3950 43.3286 175.2058 114 F 4.9298 8.9453 124.1173 55.3265 43.9195 173.7774 115 W 5.2596 9.1281 118.7787 54.9692 32.6843 174.5329 116 L 4.7147 9.2187 127.5169 54.0183 43.3935 174.7743 117 N 5.1564 8.6676 123.9739 51.4399 41.2720 173.8772 118 I 5.0084 8.7695 123.1994 59.4425 41.1102 173.9930 119 L 5.1369 9.5938 129.5454 53.2050 44.8773 174.4699 120 E 4.8309 9.3255 128.2499 55.3449 31.0907 174.9184 121 V 4.6263 8.9675 130.6225 59.3433 32.0292 174.4485 *122 P 5.2416 0.0000 0.0000 59.8250 32.6039 171.6048 123 P 5.0566 0.0000 0.0000 62.1649 33.0793 177.9958 *124 R 4.1898 8.4390 113.1771 56.5264 33.6494 171.5422 *134 F 4.8548 7.6361 110.4456 57.6022 41.2172 174.6849 135 S 5.0296 8.0344 117.9893 57.8075 66.4490 173.4487 *136 F 4.9374 8.4832 122.0413 55.4953 41.6318 174.9796 137 R 5.0646 8.6614 122.6549 54.0641 32.3760 174.6975 138 S 4.7171 9.5160 122.5739 56.8007 66.3042 173.5931 139 R 4.7537 7.6155 121.8407 55.0201 32.3654 173.8582 140 F 4.9425 9.2845 126.0036 55.2897 42.0933 175.6843 141 K 3.4211 8.3917 122.0394 55.9249 33.4135 175.4824 142 L 4.7297 8.5266 127.5928 53.2245 44.5391 174.9927 143 F 5.2587 8.8652 126.5654 55.9006 40.6024 174.8761 144 F 4.8677 9.6106 128.6058 57.6970 40.7026 174.1808 145 R 4.7163 8.4237 127.1505 53.5965 32.2685 172.8503 146 P 4.3891 0.0000 0.0000 62.8825 32.0744 177.7615 147 S 4.0625 8.9916 119.7929 62.0041 62.8052 175.9154 148 Q 4.1450 8.0398 113.9700 57.0985 28.3413 176.4185 149 L 4.4624 7.8429 120.3138 53.8790 40.3411 176.1986 150 K 4.5607 8.5080 120.1477 56.1804 33.3367 177.1188 151 S 4.7209 8.5606 116.3268 57.8128 63.7572 176.4435 152 V 2.0000 7.5420 123.5329 64.8244 30.3545 177.2354 153 D 4.2517 7.7860 117.3407 56.3327 40.6996 177.7412 154 S 4.4970 7.8981 114.3142 58.6435 63.3172 176.0665 155 A 3.9765 7.7347 124.7245 55.2063 18.1343 179.4369 156 A 4.1283 8.0694 120.0189 55.3533 18.5450 179.0329 157 G 4.0236 7.6314 100.7277 46.3524 0.0000 174.1643 158 K 4.5272 8.2598 118.3216 55.7419 32.9761 176.5033 159 L 4.4028 7.5591 118.9345 54.8781 42.1711 176.5341 160 Q 4.9459 8.5318 120.4823 54.2479 31.7298 174.4445 161 W 5.3386 8.6478 119.9660 55.2041 33.2938 174.3102 162 K 5.0453 8.7831 119.9021 55.9432 35.7112 174.9046 163 F 4.9552 8.5967 120.2539 57.6437 39.1149 175.6719 164 L 4.6788 9.7655 124.4227 55.9944 43.2208 177.0136 *165 E 4.4793 7.6953 115.3559 57.2512 36.9668 180.1309 *174 V 4.0393 7.4553 120.2019 61.3895 33.8039 176.4539 175 V 5.0168 9.2154 119.3786 58.6759 36.1711 174.7868 176 Q 5.1128 9.5646 123.4012 54.3857 32.7575 174.0555 177 V 3.9416 8.5113 125.3571 59.5897 34.2163 173.8540 178 N 4.9355 8.4851 122.6281 51.9360 41.4442 172.8502 179 N 4.6675 9.0815 126.7058 51.2124 39.5094 172.0783 180 P 5.2551 0.0000 0.0000 63.0685 32.3091 175.3554 181 T 4.6585 7.5314 109.8147 59.7192 72.4933 172.4370 182 P 3.5933 0.0000 0.0000 63.0686 31.7284 174.8410 183 Y 5.0989 6.7397 116.2326 56.2338 40.2264 175.4542 184 Y 4.1336 8.8710 120.4744 58.1666 39.1664 175.8226 185 V 4.1556 8.7150 122.1346 61.2539 34.7376 174.2148 186 S 5.1115 8.4251 123.9674 57.0996 65.3056 172.9135 187 F 5.4881 9.6190 124.1814 56.2047 40.0569 176.8110 188 A 4.4647 9.2781 126.6054 54.3823 19.2706 177.4765 189 S 4.7040 7.8258 107.0847 57.7532 66.1374 174.9417 190 V 4.8355 8.1903 121.1017 61.4253 35.0356 173.9433 191 E 5.0915 8.7539 125.5055 54.8188 34.4580 174.1928 192 L 4.8077 8.8371 123.9291 53.9240 43.8170 175.8093 193 I 5.5717 8.3615 122.9247 58.4893 41.3874 174.7919 194 V 4.2543 8.0301 125.4626 61.3806 34.5225 174.7084 195 D 4.1604 9.9286 130.0093 55.4417 38.3158 175.0705 196 G 3.9408 8.3858 105.5930 45.3609 0.0000 174.0122 197 R 4.2283 7.7372 120.2321 55.3863 30.9132 175.2278 198 V 4.8563 8.2599 122.9018 61.2284 33.6664 174.6250 199 M 4.6805 9.1835 125.0609 53.3711 33.6700 174.4708 200 S 4.5303 8.7718 119.5404 58.0247 63.0575 173.9310 201 V 4.2342 8.3102 119.5126 60.7935 32.4700 174.8152 202 G 3.8580 8.1882 107.3202 44.3803 0.0000 172.2987 203 K 5.1263 9.6978 117.8503 55.0352 35.6890 175.1820 204 G 3.9707 7.0366 103.8167 46.2430 0.0000 170.8189 205 M 5.4763 8.2465 119.5976 54.2468 35.5868 175.6772 206 V 4.6152 8.7861 124.7519 59.8354 34.1345 175.0207 207 A 3.9738 8.5318 125.7890 50.2542 19.6954 175.1650 208 P 3.7522 0.0000 0.0000 62.5923 32.0788 176.2349 209 F 4.0521 7.6445 119.6252 58.7135 37.2049 174.9115 210 S 4.9402 7.6452 113.7372 57.1940 67.9728 173.0567 211 T 5.0126 8.3816 110.0338 59.8782 71.1324 173.3246 212 K 4.5384 8.6087 124.6434 54.6438 35.5376 174.2609 213 E 5.1111 8.4486 124.9395 54.6787 31.8771 175.2464 214 F 5.0676 9.8152 122.6763 55.5942 42.5610 173.8816 215 D 5.0447 9.0734 123.8491 53.7260 41.8760 174.6019 *216 W 4.0932 9.0286 118.9634 57.1104 30.0508 177.3553 *223 M 4.2869 8.7574 119.4247 55.0875 33.3774 175.1896 224 E 4.5054 8.2775 125.9766 56.3964 33.9329 176.5010 225 A 4.5692 9.1181 116.7984 52.6524 19.7246 178.5454 226 A 4.4674 8.1954 120.8846 54.1050 19.7176 177.5461 227 S 5.0949 8.8038 115.1223 56.3402 66.2108 172.9017 228 V 4.5698 8.8474 124.3627 59.7306 33.9450 174.4501 229 R 4.9349 9.0266 124.2849 54.5950 32.8275 173.7655 230 Y 5.4127 8.6540 123.6962 55.4239 42.1027 173.6717 231 E 5.3205 9.3504 120.2063 54.8210 32.9873 175.4634 232 V 4.9931 8.9571 116.8244 59.6068 35.7309 174.6558 233 I 4.7641 8.2725 125.0345 60.3998 38.2842 176.1929 234 N 4.6188 9.0748 125.8788 51.6067 38.9958 175.4115 235 D 4.1117 8.2386 116.9545 57.1699 40.6717 177.2201 236 Y 4.5534 7.7797 113.7303 57.5206 38.1615 176.5173 237 G 3.9536 8.2488 108.8438 45.0033 0.0000 174.1482 238 G 4.0542 8.3450 107.7270 45.9285 0.0000 172.8328 239 R 5.3957 8.3713 117.4981 54.3950 33.8124 175.0105 240 N 5.1353 8.9776 118.5462 51.7385 42.8973 173.2838 241 T 5.0329 8.2063 114.6559 60.8559 70.9287 172.6704 242 H 4.7116 8.4360 121.5655 54.2859 33.5272 172.0518 243 D 5.2881 8.4365 121.3410 52.7948 43.0813 175.8241 244 R 4.7928 8.7374 120.0813 54.4047 35.0912 174.4848 245 A 4.4512 8.5362 122.5736 51.7855 19.6809 176.9532 246 L 4.2722 7.7844 120.7064 53.3047 43.0438 177.6603 247 G 3.8645 8.9848 112.4044 46.0301 0.0000 172.9987 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 I 8.26 4.40 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 1.30 2.25 0.91 0.00 0.00 32 A 9.59 4.03 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 33 Q 8.35 4.08 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 34 G 9.11 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.05 5.03 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 1.30 0.00 0.00 36 R 7.98 4.86 0.00 1.92 1.97 0.00 3.22 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 37 V 8.81 4.34 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 0.98 0.00 0.00 0.83 0.00 0.00 38 V 8.42 4.72 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 0.79 0.00 0.00 1.01 0.00 0.00 39 F 9.57 4.58 0.00 3.17 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 40 P 0.00 4.79 0.00 2.14 2.07 0.00 2.90 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 1.87 1.95 0.00 41 A 8.47 4.09 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 42 S 8.21 4.25 0.00 4.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.23 4.32 0.00 1.72 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 2.17 2.16 0.00 44 R 8.55 4.63 0.00 1.96 2.08 0.00 3.20 0.00 0.00 3.44 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 45 E 7.73 5.63 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 46 V 9.09 4.54 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.88 0.00 0.00 47 T 8.28 4.95 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 1.21 0.00 0.00 48 L 8.22 4.40 0.00 1.68 1.45 0.71 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.53 4.98 0.00 1.77 1.79 0.00 3.09 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 50 V 8.57 4.54 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 0.72 0.00 0.00 0.99 0.00 0.00 51 S 8.74 5.05 0.00 3.78 3.76 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 52 N 8.94 4.92 0.00 2.84 2.90 0.00 0.00 6.76 7.99 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 53 T 8.61 4.07 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 1.23 0.00 0.00 54 S 7.90 4.47 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.54 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.18 4.84 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 1.23 0.00 0.00 57 P 0.00 4.72 0.00 2.11 2.11 0.00 3.72 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 2.00 2.02 0.00 58 V 8.27 4.63 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 0.80 0.00 0.00 0.96 0.00 0.00 59 L 8.35 4.97 0.00 1.60 1.61 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 60 A 9.76 5.13 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 61 Q 9.43 5.22 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 62 A 9.27 5.77 1.26 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 0.00 0.00 63 W 8.18 4.84 0.00 3.40 3.27 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 64 I 8.76 5.14 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.66 1.02 0.00 0.00 65 D 9.12 5.33 0.00 2.94 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 66 D 8.90 5.16 0.00 2.74 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 67 G 8.64 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 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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 0.00 0.00 0.00 0.00 152 V 7.54 2.00 1.46 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 0.56 0.00 0.00 0.46 0.00 0.00 153 D 7.79 4.25 0.00 2.58 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 0.00 154 S 7.90 4.50 0.00 3.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 7.73 3.98 1.25 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 0.00 0.00 156 A 8.07 4.13 1.39 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 0.00 0.00 157 G 7.63 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 0.00 0.00 0.00 158 K 8.26 4.53 0.00 1.70 1.85 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.56 7.81 159 L 7.56 4.40 0.00 1.82 1.26 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.11 0.00 0.00 176 Q 9.56 5.11 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 2.14 2.36 0.00 177 V 8.51 3.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 -0.28 0.00 0.00 178 N 8.49 4.94 0.00 2.68 2.58 0.00 0.00 6.57 7.22 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 0.00 179 N 9.08 4.67 0.00 2.73 2.79 0.00 0.00 6.48 7.29 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 0.00 180 P 0.00 5.26 0.00 2.16 2.28 0.00 3.70 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 1.95 2.01 0.00 181 T 7.53 4.66 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 1.22 0.00 0.00 182 P 0.00 3.59 0.00 1.62 2.33 0.00 3.47 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.80 0.00 183 Y 6.74 5.10 0.00 2.70 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 0.00 184 Y 8.87 4.13 0.00 2.69 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 0.00 185 V 8.72 4.16 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 0.44 0.00 0.00 0.79 0.00 0.00 186 S 8.43 5.11 0.00 3.82 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 0.00 187 F 9.62 5.49 0.00 3.13 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 0.00 188 A 9.28 4.46 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 0.00 189 S 7.83 4.70 0.00 3.88 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 0.00 190 V 8.19 4.84 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 0.11 0.00 0.00 0.38 0.00 0.00 191 E 8.75 5.09 0.00 1.82 1.68 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 2.17 2.22 0.00 192 L 8.84 4.81 0.00 1.57 1.58 1.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 193 I 8.36 5.57 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.17 0.88 0.00 0.00 194 V 8.03 4.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 195 D 9.93 4.16 0.00 2.80 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 0.00 196 G 8.39 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 197 R 7.74 4.23 0.00 2.07 1.86 0.00 3.10 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 198 V 8.26 4.86 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 0.83 0.00 0.00 0.91 0.00 0.00 199 M 9.18 4.68 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 200 S 8.77 4.53 0.00 3.90 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 0.00 201 V 8.31 4.23 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 0.72 0.00 0.00 0.77 0.00 0.00 202 G 8.19 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 K 9.70 5.13 0.00 2.29 2.11 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.51 7.81 204 G 7.04 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 0.00 0.00 0.00 205 M 8.25 5.48 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.83 0.00 206 V 8.79 4.62 2.28 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 0.72 0.00 0.00 0.90 0.00 0.00 207 A 8.53 3.97 1.14 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 0.00 0.00 208 P 0.00 3.75 0.00 1.57 1.47 0.00 3.14 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 1.60 1.32 0.00 209 F 7.64 4.05 0.00 3.17 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 0.00 210 S 7.65 4.94 0.00 3.76 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 0.00 211 T 8.38 5.01 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 1.16 0.00 0.00 212 K 8.61 4.54 0.00 1.74 1.43 0.00 1.79 0.00 0.00 1.21 0.00 0.00 2.78 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.70 1.15 7.81 213 E 8.45 5.11 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 214 F 9.82 5.07 0.00 2.85 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 0.00 215 D 9.07 5.04 0.00 2.67 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 *216 W 9.03 4.09 0.00 2.50 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *223 M 8.76 4.29 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 224 E 8.28 4.51 0.00 1.94 1.53 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 1.97 1.69 0.00 225 A 9.12 4.57 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 0.00 226 A 8.20 4.47 1.50 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 0.00 0.00 227 S 8.80 5.09 0.00 3.86 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 V 8.85 4.57 1.59 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 -0.10 0.00 0.00 0.13 0.00 0.00 229 R 9.03 4.93 0.00 1.74 1.65 0.00 2.96 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 230 Y 8.65 5.41 0.00 3.14 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 E 9.35 5.32 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 2.19 2.26 0.00 232 V 8.96 4.99 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 0.90 0.00 0.00 1.08 0.00 0.00 233 I 8.27 4.76 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.56 0.95 0.00 0.00 234 N 9.07 4.62 0.00 2.82 2.95 0.00 0.00 6.55 7.81 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 0.00 235 D 8.24 4.11 0.00 1.68 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 0.00 0.00 0.00 236 Y 7.78 4.55 0.00 3.00 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 0.00 237 G 8.25 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 0.00 0.00 0.00 238 G 8.35 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 R 8.37 5.40 0.00 1.67 1.81 0.00 3.34 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 1.55 1.65 0.00 240 N 8.98 5.14 0.00 2.62 2.59 0.00 0.00 6.40 7.21 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 0.00 241 T 8.21 5.03 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 242 H 8.44 4.71 0.00 1.58 2.68 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 D 8.44 5.29 0.00 2.40 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 R 8.74 4.79 0.00 1.52 1.81 0.00 3.39 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.04 0.00 245 A 8.54 4.45 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 0.00 246 L 7.78 4.27 0.00 1.42 1.34 0.49 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 247 G 8.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.