NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 88 R 4.2579 8.2549 120.8522 55.3014 32.0746 175.0464 89 K 4.4760 7.6999 115.2267 51.8585 35.4539 172.6140 90 P 4.6321 0.0000 0.0000 61.3205 33.5315 174.7057 91 K 4.4903 7.8706 119.4267 54.6130 35.9265 175.5000 92 W 4.6027 8.6663 119.3895 56.2527 29.5543 176.9352 93 D 4.5807 9.1108 121.5796 55.7073 39.1430 176.2499 94 K 4.7579 7.7375 116.0860 54.4244 36.1177 175.2933 95 N 4.5289 8.5526 115.2114 53.8852 39.6665 174.8125 96 Q 4.5519 7.8080 118.9269 54.5781 29.6795 174.8371 97 I 4.3611 8.1941 125.6997 59.3312 40.6551 175.2874 98 T 5.4342 8.5531 115.4794 59.6775 71.7950 172.7928 99 Y 5.2611 7.5370 119.0526 55.9109 41.9873 173.5337 100 R 4.6811 8.7979 120.2754 55.0986 34.1319 174.1364 101 I 4.3868 8.4836 127.3871 60.5212 36.5906 175.2065 102 I 4.1934 8.3558 127.1382 61.4877 38.5082 175.8019 103 G 4.6247 7.7456 108.2179 44.3043 0.0000 171.2448 104 Y 4.7452 8.6344 118.7779 56.1114 41.4230 174.6755 105 T 4.4157 7.5553 114.5976 59.6925 69.3700 172.6218 106 P 4.4392 0.0000 0.0000 64.7744 31.7558 177.7152 107 D 4.5269 7.6535 117.7691 56.2661 40.9401 176.2338 108 L 4.8411 7.3814 116.6747 51.5771 45.9358 176.0738 109 D 4.4323 8.4076 119.6260 53.7786 43.0769 175.4596 110 P 4.2426 0.0000 0.0000 65.8960 31.1970 178.6246 111 E 4.0445 8.3833 117.5483 59.4833 29.6011 178.8512 112 T 3.9222 8.5059 116.2291 66.2926 68.6014 177.0029 113 V 3.3908 7.8502 120.3084 66.1699 31.7660 177.8729 114 D 4.7216 8.3134 118.6030 57.4403 40.6155 178.3849 115 D 4.3915 7.9697 118.6362 57.2136 40.8089 178.1965 116 A 3.9885 8.1574 121.2088 54.7755 18.1325 179.5380 117 F 4.6080 8.0866 116.0615 60.4153 39.2907 178.0315 118 A 4.3102 8.2244 120.1568 55.3488 18.3677 179.9341 119 R 3.9909 8.3699 116.4080 59.2900 29.8087 179.1816 120 A 4.2865 7.7350 119.0163 55.1621 18.6704 179.4069 121 F 4.3389 8.0963 116.6721 60.6519 38.9508 177.7470 122 Q 4.7973 8.3035 120.3176 58.8287 28.6125 178.6046 123 V 3.7093 7.4190 111.4447 63.7936 31.2210 177.7465 124 W 4.9831 8.1175 117.9730 58.7810 29.5951 178.5583 125 S 4.4808 8.3822 113.1896 60.8296 62.5342 175.7394 126 D 4.5773 8.2738 121.9792 56.0384 40.6497 177.2507 127 V 4.4638 7.3554 109.7825 60.9500 32.2745 174.6912 128 T 4.7753 7.5446 109.1446 60.0794 71.5464 171.6404 129 P 4.5716 0.0000 0.0000 62.6762 31.6343 176.7753 130 L 3.9855 7.1508 118.1540 55.3287 42.3366 176.9977 131 R 4.3705 8.4842 120.7856 54.2419 34.1830 174.1560 132 F 5.2348 8.5532 121.5072 55.7216 41.7852 174.7041 133 S 4.6440 8.7675 119.9056 56.4916 65.6720 173.2784 134 R 3.7905 8.3251 125.8416 55.3229 30.5145 175.3385 135 I 4.5134 7.7509 119.4227 59.4671 40.2044 175.2146 136 H 4.8274 8.7827 118.5538 55.6102 29.7715 173.7790 137 D 4.5313 7.7486 118.3726 53.8225 44.0411 175.4677 138 G 3.8449 8.7774 112.8521 44.6666 0.0000 171.8224 139 E 4.2439 8.2958 118.4353 55.1117 30.4569 175.1436 140 A 4.7863 8.0031 126.6213 49.9040 22.0983 176.0528 141 D 4.4527 8.3032 119.0870 56.7906 41.6577 177.1498 142 I 4.4846 7.8363 119.2331 59.7156 40.4113 174.7729 143 M 4.7929 8.6459 127.2508 54.3288 33.5144 175.6369 144 I 4.8304 8.4963 125.1644 60.2168 39.4227 174.4725 145 N 5.2340 8.8117 123.3914 52.8928 43.0200 172.6585 146 F 5.3431 8.5248 119.6361 56.0425 42.6234 174.6314 147 G 4.4281 8.9241 107.4688 46.0285 0.0000 172.1573 148 R 5.1459 8.5070 115.4216 55.0664 32.2248 177.2934 149 W 3.5377 8.4255 120.0539 57.8709 28.3146 174.0609 150 E 4.3269 9.2527 123.7153 58.1139 29.2027 176.2002 151 H 4.9807 9.1747 118.9484 55.2253 29.1196 173.7884 152 G 3.9180 10.0244 106.0439 46.4275 0.0000 174.8918 153 D 4.5848 7.9075 112.5560 53.2589 41.6712 176.1706 154 G 3.8419 8.1485 109.5917 45.7356 0.0000 173.6977 155 Y 4.3855 7.3715 116.9258 55.1855 37.7265 173.8162 156 P 4.5757 0.0000 0.0000 62.4255 32.2911 176.3883 157 F 5.1537 7.7207 119.7395 56.4748 41.2682 175.4678 158 D 3.7869 7.6934 118.7855 52.5190 39.3873 176.4444 159 G 3.7602 6.5668 109.1644 45.9787 0.0000 173.1895 160 K 3.8172 8.5305 121.3644 57.4519 32.8639 179.0072 161 D 4.3919 9.1289 125.1211 54.5411 41.6135 174.7658 162 G 3.9924 8.2180 110.4008 46.4153 0.0000 177.0983 163 L 4.1519 8.6311 122.4742 54.5584 42.3018 175.8939 164 L 4.3629 8.1249 120.2031 56.0172 44.2703 175.8683 165 A 4.7381 7.5779 116.4404 51.9601 22.2431 174.5626 166 H 4.9568 8.6100 112.3300 55.5238 31.9700 172.7766 167 A 5.1672 7.9312 119.9803 50.5782 22.4366 175.3819 168 F 4.6129 8.7929 117.4204 55.6243 41.5430 175.8163 169 A 4.5594 8.3985 122.7972 50.9681 20.0195 174.9539 170 P 3.2906 0.0000 0.0000 63.1808 31.4998 176.4933 171 G 3.7495 7.4391 111.8991 45.2049 0.0000 172.3277 172 T 4.4147 7.9121 109.9534 61.2349 71.6886 179.2531 173 G 3.8961 8.9323 115.0318 46.9529 0.0000 175.9310 174 V 3.6299 8.7942 128.1796 64.2393 32.4297 175.1723 175 G 3.8908 7.4755 108.5420 47.4281 0.0000 173.2089 176 G 4.3860 8.5508 112.1895 45.2722 0.0000 173.8621 177 D 4.7604 8.2622 119.9747 54.6973 42.3497 175.7658 178 S 5.1365 8.8713 117.6839 57.1248 66.2190 172.7227 179 H 5.5687 8.9321 121.7771 53.9893 32.0140 173.0457 180 F 4.8336 8.9605 120.9278 55.3302 42.5235 174.0513 181 D 4.4048 8.2328 123.3815 53.9595 41.6582 175.5423 182 D 5.1512 9.2473 126.0506 54.8553 41.5340 176.4023 183 D 4.6396 8.5442 116.5458 54.8440 41.2904 176.0893 184 E 4.2479 7.2490 117.8253 54.8486 31.1538 175.3373 185 L 4.3337 7.6360 122.7633 53.4805 43.3523 175.0899 186 W 5.2824 8.5412 127.3993 56.3082 30.3642 176.3001 187 S 4.5744 8.9854 117.8046 57.3233 66.3392 174.1509 188 L 4.6065 8.5363 118.3297 54.9066 41.9011 177.7844 189 G 3.5906 7.9740 104.5955 45.7628 0.0000 176.0336 190 K 3.9298 7.0406 120.0728 56.2327 28.0129 180.0814 190A G 3.6723 7.1860 114.1893 46.2755 0.0000 173.8983 191 V 3.9308 6.9722 116.9286 59.6567 33.3872 172.3519 192 G 3.5422 7.4365 111.9891 43.9751 0.0000 170.9062 193 Y 4.5676 7.4109 117.1955 55.5404 40.6087 175.3658 194 S 5.4624 8.9767 119.9414 57.7696 63.2507 174.8789 195 L 3.8435 8.8721 131.7814 58.1393 41.8973 178.5266 196 F 4.1744 8.1417 120.3020 61.0064 39.2300 177.0912 197 L 3.2784 7.7216 118.3495 57.6932 41.5451 179.6650 198 V 3.6501 8.0016 117.9459 65.8394 31.3995 177.9562 199 A 3.7420 7.9047 120.5199 54.8383 17.9504 179.3849 200 A 3.7938 7.0944 117.8659 55.4145 18.4102 179.1291 201 H 4.3623 7.8110 116.7661 59.5544 29.8674 177.4690 202 E 3.9797 8.0659 120.4446 59.3456 28.8312 179.2723 203 F 4.7304 8.1850 117.7493 60.0698 38.8307 177.8827 204 G 3.2028 7.9329 105.9779 47.5262 0.0000 175.7545 205 H 4.3570 8.3339 119.5912 58.3118 28.6359 177.7416 206 A 4.6141 8.0581 120.6575 54.3302 18.3933 178.0123 207 M 4.5412 7.5623 113.0915 55.6442 32.5338 176.6902 208 G 3.9015 7.6057 106.6669 45.1915 0.0000 173.8206 209 L 4.3598 8.1713 120.7129 53.5453 42.8671 176.3071 210 E 4.7675 8.0993 120.9588 54.7584 32.1999 175.4188 211 H 4.8306 8.4167 115.9452 56.2122 29.4574 174.7948 212 S 4.8444 8.0315 115.6101 56.6074 64.4258 174.5779 213 Q 4.0931 8.5802 124.6113 57.6913 29.1600 175.8153 214 D 4.4582 8.1755 119.2577 53.2330 41.2236 174.9855 215 P 4.2650 0.0000 0.0000 65.3406 31.4547 177.5339 216 G 3.8062 8.0206 104.0207 45.5673 0.0000 173.8152 217 A 4.4096 7.7236 123.9984 51.3682 19.1877 178.6629 218 L 4.0954 9.0436 123.1223 58.3829 42.4277 178.0875 219 M 4.4872 8.2414 115.9283 55.3173 31.9909 176.0705 220 A 4.4869 7.4982 122.0952 51.6038 18.9829 176.8028 221 P 4.1844 0.0000 0.0000 64.4225 31.7945 177.0713 222 I 4.3455 7.3708 118.2387 59.7525 38.8951 174.2353 223 Y 4.2254 8.1786 124.3370 56.7932 39.7476 174.5721 *227 T 4.3905 8.1489 121.7552 63.5637 69.7489 172.7972 228 Y 4.3430 8.2521 127.1572 56.7712 39.9238 174.6000 229 T 4.2703 6.8888 115.2698 59.6129 71.9173 173.8221 230 K 3.8474 8.5169 126.3058 58.8299 32.4563 176.5311 231 N 4.7755 7.6285 117.5965 51.2266 37.9426 173.7834 232 F 4.3838 8.3996 124.5858 58.0103 40.4478 174.9513 233 R 4.0457 6.2832 123.2332 54.6053 33.8959 174.9492 234 L 3.8994 7.7831 122.5206 54.3950 42.5468 177.8240 235 S 4.4549 8.4229 117.6949 57.7158 65.5713 175.3476 236 Q 3.9941 8.5192 121.6251 59.2551 28.2845 178.5655 237 D 4.3969 8.1550 118.4692 57.6060 41.2481 178.1343 238 D 4.5412 8.0183 119.3092 57.4877 40.9441 178.7342 239 I 3.8778 7.8417 120.3747 64.4117 36.8983 178.4275 240 K 4.1231 8.4663 119.9575 59.3049 32.1763 178.8275 241 G 3.7501 7.9632 106.1712 47.6967 0.0000 175.7425 242 I 3.9586 7.9197 121.0579 63.7164 37.9491 177.8849 243 Q 4.5889 8.2523 120.1606 57.8165 28.3130 177.9713 244 E 3.9238 7.5554 118.7818 59.1122 29.7048 178.3989 245 L 3.9756 7.7225 117.6501 56.5634 42.0326 177.0521 246 Y 4.5420 7.8540 112.4387 56.9997 39.3956 176.1485 247 G 3.8206 8.5938 108.2734 44.7623 0.0000 172.6537 248 A 4.6141 7.9610 121.6942 50.4015 20.2677 176.8112 249 S 4.3292 8.3423 114.2669 57.3981 63.0621 172.2188 250 P 4.4521 0.0000 0.0000 63.0145 31.0123 176.1422 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 88 R 8.25 4.26 0.00 1.76 1.99 0.00 3.12 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 89 K 7.70 4.48 0.00 1.72 1.57 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.37 7.81 90 P 0.00 4.63 0.00 1.98 1.92 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 91 K 7.87 4.49 0.00 1.63 1.57 0.00 1.13 0.00 0.00 1.39 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.19 1.43 7.81 92 W 8.67 4.60 0.00 3.45 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 93 D 9.11 4.58 0.00 2.85 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 94 K 7.74 4.76 0.00 1.70 1.71 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.34 1.46 7.81 95 N 8.55 4.53 0.00 2.56 2.67 0.00 0.00 6.72 7.74 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 96 Q 7.81 4.55 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.69 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 97 I 8.19 4.36 1.79 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.74 0.37 0.00 0.00 98 T 8.55 5.43 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 1.07 0.00 0.00 99 Y 7.54 5.26 0.00 3.07 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 0.00 100 R 8.80 4.68 0.00 1.78 1.71 0.00 3.05 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 101 I 8.48 4.39 1.81 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.78 0.38 0.00 0.00 102 I 8.36 4.19 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 0.84 1.02 0.00 0.00 103 G 7.75 4.62 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 0.00 104 Y 8.63 4.75 0.00 2.90 2.80 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 0.00 0.00 0.00 105 T 7.56 4.42 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 0.78 0.00 0.00 106 P 0.00 4.44 0.00 2.08 2.08 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 107 D 7.65 4.53 0.00 2.72 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 0.00 108 L 7.38 4.84 0.00 1.53 1.48 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.41 4.43 0.00 2.69 2.52 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 0.00 110 P 0.00 4.24 0.00 2.04 1.57 0.00 3.58 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 111 E 8.38 4.04 0.00 2.04 2.16 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 2.40 2.43 0.00 112 T 8.51 3.92 4.37 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 1.18 0.00 0.00 113 V 7.85 3.39 2.52 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 1.08 0.00 0.00 1.03 0.00 0.00 114 D 8.31 4.72 0.00 3.06 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 0.00 115 D 7.97 4.39 0.00 2.89 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 0.00 116 A 8.16 3.99 1.15 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 0.00 0.00 0.00 117 F 8.09 4.61 0.00 3.36 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 0.00 118 A 8.22 4.31 1.58 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 0.00 0.00 119 R 8.37 3.99 0.00 1.86 1.68 0.00 2.99 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 120 A 7.74 4.29 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.10 4.34 0.00 3.15 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 0.00 122 Q 8.30 4.80 0.00 2.33 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.64 2.39 0.00 123 V 7.42 3.71 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 1.02 0.00 0.00 0.24 0.00 0.00 124 W 8.12 4.98 0.00 3.86 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 0.00 125 S 8.38 4.48 0.00 4.25 4.42 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 0.00 126 D 8.27 4.58 0.00 2.77 2.83 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 0.00 127 V 7.36 4.46 2.20 0.00 0.00 0.00 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 1.25 0.00 0.00 128 T 7.54 4.78 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 1.47 0.00 0.00 129 P 0.00 4.57 0.00 2.07 2.14 0.00 3.78 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 2.21 2.35 0.00 130 L 7.15 3.99 0.00 1.40 1.00 0.37 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.48 4.37 0.00 1.53 1.58 0.00 3.15 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 132 F 8.55 5.23 0.00 2.75 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.77 4.64 0.00 3.60 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 0.00 134 R 8.33 3.79 0.00 0.94 1.54 0.00 3.28 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.10 0.00 135 I 7.75 4.51 1.78 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 1.05 0.73 0.76 0.00 0.00 136 H 8.78 4.83 0.00 3.13 3.35 0.00 5.68 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 0.00 137 D 7.75 4.53 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.78 3.84 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 0.00 0.00 0.00 139 E 8.30 4.24 0.00 1.93 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 0.00 2.25 2.30 0.00 140 A 8.00 4.79 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.30 4.45 0.00 2.52 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 0.00 0.00 0.00 0.00 142 I 7.84 4.48 1.88 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 1.50 0.74 0.98 0.00 0.00 143 M 8.65 4.79 0.00 2.01 2.32 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 2.59 2.81 0.00 144 I 8.50 4.83 1.63 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 1.23 1.21 0.37 0.00 0.00 145 N 8.81 5.23 0.00 2.82 2.64 0.00 0.00 6.74 7.68 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 0.00 146 F 8.52 5.34 0.00 3.03 3.06 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 0.00 147 G 8.92 4.43 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 0.00 148 R 8.51 5.15 0.00 2.01 1.96 0.00 3.36 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.95 0.00 149 W 8.43 3.54 0.00 3.63 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 0.00 150 E 9.25 4.33 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 151 H 9.17 4.98 0.00 3.30 3.41 0.00 5.52 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 10.02 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 0.00 153 D 7.91 4.58 0.00 2.88 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 0.00 154 G 8.15 3.84 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 0.00 0.00 0.00 155 Y 7.37 4.39 0.00 2.96 2.83 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 0.00 156 P 0.00 4.58 0.00 2.14 2.13 0.00 3.66 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 2.06 2.27 0.00 157 F 7.72 5.15 0.00 2.93 2.80 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 0.00 0.00 0.00 158 D 7.69 3.79 0.00 2.63 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 0.00 159 G 6.57 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 0.00 0.00 0.00 160 K 8.53 3.82 0.00 1.70 1.71 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.38 7.81 161 D 9.13 4.39 0.00 2.93 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 G 8.22 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 0.00 0.00 0.00 163 L 8.63 4.15 0.00 1.96 1.66 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 164 L 8.12 4.36 0.00 1.38 1.50 -0.17 0.02 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 0.00 165 A 7.58 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 H 8.61 4.96 0.00 2.90 3.27 0.00 5.51 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 0.00 167 A 7.93 5.17 1.19 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 0.00 0.00 0.00 168 F 8.79 4.61 0.00 3.09 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 0.00 169 A 8.40 4.56 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 P 0.00 3.29 0.00 1.32 0.49 0.00 3.50 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 171 G 7.44 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 0.00 0.00 0.00 172 T 7.91 4.41 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 1.27 0.00 0.00 173 G 8.93 3.90 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 0.00 0.00 0.00 174 V 8.79 3.63 1.77 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 0.02 0.00 0.00 0.75 0.00 0.00 175 G 7.48 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 0.00 176 G 8.55 4.39 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 0.00 177 D 8.26 4.76 0.00 2.69 2.60 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 0.00 178 S 8.87 5.14 0.00 3.97 3.65 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 0.00 0.00 0.00 179 H 8.93 5.57 0.00 3.32 3.43 0.00 5.57 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 0.00 180 F 8.96 4.83 0.00 2.07 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 0.00 181 D 8.23 4.40 0.00 1.58 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 D 9.25 5.15 0.00 2.95 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 0.00 183 D 8.54 4.64 0.00 2.68 2.60 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 0.00 184 E 7.25 4.25 0.00 1.16 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 2.13 1.95 0.00 185 L 7.64 4.33 0.00 1.60 1.31 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 186 W 8.54 5.28 0.00 3.16 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 0.00 187 S 8.99 4.57 0.00 3.83 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 0.00 188 L 8.54 4.61 0.00 1.67 1.77 0.92 0.90 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 0.00 189 G 7.97 3.59 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 0.00 0.00 0.00 190 K 7.04 3.93 0.00 1.79 1.11 0.00 1.83 0.00 0.00 1.90 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.36 7.81 190A G 7.19 3.67 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 0.00 0.00 0.00 191 V 6.97 3.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.76 0.00 0.00 192 G 7.44 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 Y 7.41 4.57 0.00 2.34 2.29 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 0.00 194 S 8.98 5.46 0.00 4.22 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 0.00 195 L 8.87 3.84 0.00 1.70 1.49 -0.47 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 196 F 8.14 4.17 0.00 3.05 3.04 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 0.00 197 L 7.72 3.28 0.00 1.99 1.84 0.45 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 198 V 8.00 3.65 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.17 0.00 0.00 199 A 7.90 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 A 7.09 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 H 7.81 4.36 0.00 3.22 3.47 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 0.00 202 E 8.07 3.98 0.00 1.68 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 2.42 1.87 0.00 203 F 8.19 4.73 0.00 3.13 2.94 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 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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 0.00 213 Q 8.58 4.09 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 214 D 8.18 4.46 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 0.00 215 P 0.00 4.27 0.00 2.07 2.10 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 216 G 8.02 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 0.00 217 A 7.72 4.41 1.43 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 0.00 218 L 9.04 4.10 0.00 1.79 1.99 0.83 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 219 M 8.24 4.49 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.97 0.00 220 A 7.50 4.49 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 P 0.00 4.18 0.00 1.99 1.95 0.00 3.62 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 1.97 1.94 0.00 222 I 7.37 4.35 1.86 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 1.29 0.80 0.94 0.00 0.00 223 Y 8.18 4.23 0.00 2.92 2.73 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 0.00 0.00 0.00 0.00 *227 T 8.15 4.39 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 1.14 0.00 0.00 228 Y 8.25 4.34 0.00 2.96 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 0.00 229 T 6.89 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 1.09 0.00 0.00 230 K 8.52 3.85 0.00 1.74 1.85 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.59 7.81 231 N 7.63 4.78 0.00 2.70 2.74 0.00 0.00 6.84 7.45 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 0.00 232 F 8.40 4.38 0.00 3.00 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 0.00 233 R 6.28 4.05 0.00 1.52 1.47 0.00 3.18 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.00 234 L 7.78 3.90 0.00 1.48 1.51 0.73 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 235 S 8.42 4.45 0.00 4.03 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 0.00 236 Q 8.52 3.99 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 237 D 8.15 4.40 0.00 2.93 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 0.00 238 D 8.02 4.54 0.00 2.93 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 0.00 239 I 7.84 3.88 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.11 0.99 0.00 0.00 240 K 8.47 4.12 0.00 1.80 2.10 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 241 G 7.96 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 0.00 0.00 0.00 242 I 7.92 3.96 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.45 1.32 0.00 0.00 243 Q 8.25 4.59 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.58 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 244 E 7.56 3.92 0.00 2.20 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 0.00 2.30 2.35 0.00 245 L 7.72 3.98 0.00 1.50 0.78 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 246 Y 7.85 4.54 0.00 3.05 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 0.00 247 G 8.59 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 A 7.96 4.61 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 0.00 249 S 8.34 4.33 0.00 3.94 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 0.00 250 P 0.00 4.45 0.00 2.09 1.97 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.