NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 G 3.6999 8.3549 109.7375 44.8799 0.0000 171.2652 26 I 2.8843 7.8380 129.1370 60.2407 34.4855 171.0228 27 I 4.7353 9.0266 127.6873 59.4954 39.9369 175.2240 28 R 4.8791 8.9929 126.4714 54.6720 32.6567 175.4393 29 T 5.4197 8.2864 111.4732 59.4756 72.1734 172.3759 30 C 4.7525 8.2394 114.9445 57.7438 32.6541 172.2438 31 R 4.7375 8.5783 120.7750 55.5161 30.5725 175.7997 32 L 4.5707 8.9107 127.5863 54.6760 42.7245 176.7876 33 G 4.2735 9.3984 111.7289 41.7841 0.0000 172.1579 34 P 4.5349 0.0000 0.0000 64.7861 31.1365 176.7298 35 D 4.6980 8.0368 117.7643 54.0243 40.3753 176.6459 36 Q 4.5464 8.2373 120.7831 55.0948 29.7811 177.9153 37 V 3.6715 8.0871 119.2453 66.1901 31.6060 176.5518 38 K 3.9692 8.0722 117.6078 59.7923 31.9819 179.3451 39 S 4.2378 8.1010 114.8391 61.4940 62.8346 176.0860 40 M 4.0340 8.0768 121.0922 58.9472 31.9967 178.5782 41 R 3.9755 8.4284 118.1770 59.2024 30.2789 178.9630 42 A 4.1291 8.0739 120.4809 54.9878 18.3256 179.5746 43 A 3.6268 8.4390 119.7778 54.9962 18.3214 179.8826 44 L 4.2566 7.9727 117.6841 58.1809 41.7354 179.4316 45 D 4.3857 8.1476 118.9153 57.1587 40.6110 178.5931 46 L 3.7762 7.6196 120.7095 57.9455 42.0343 178.9742 47 F 3.7229 7.6863 117.8308 60.3102 38.7036 177.6875 48 G 3.8082 8.0592 105.2402 48.0853 0.0000 175.9269 49 R 3.9181 7.9680 120.5308 59.0249 29.9174 179.0521 50 E 3.9531 8.2569 118.3072 58.4292 29.2137 178.2601 51 F 5.1361 7.8261 115.6649 56.2188 39.9079 175.5272 52 G 3.9849 8.0154 106.6986 46.0813 0.0000 174.7122 53 D 4.8386 8.4184 114.5994 51.8049 42.8128 175.5274 54 V 3.7396 8.0141 123.1148 66.1033 32.0581 176.5387 55 A 4.0250 8.0993 119.8758 55.7656 18.0787 179.4774 56 T 3.8333 7.6813 111.4732 66.4820 68.6294 175.4663 57 Y 4.5523 7.8187 114.4878 58.0274 38.8991 176.1579 58 S 4.6736 8.3264 112.1253 57.9998 64.3967 174.3462 59 Q 4.3870 8.1302 116.9512 56.7429 29.0261 175.3164 60 H 5.0001 7.6470 115.1234 55.1485 30.0876 173.6585 61 Q 4.1109 8.1425 117.7827 54.9973 29.3148 174.9558 62 P 4.2145 0.0000 0.0000 62.0055 32.2244 175.9816 63 D 4.6434 8.1380 119.5326 53.1935 41.5638 177.3451 64 S 4.2266 8.5093 114.9642 61.4215 62.6760 176.4164 65 D 4.3317 8.1733 120.6277 57.4067 41.0320 177.4737 66 Y 3.9463 8.7496 120.4032 60.7470 38.8151 177.7949 67 L 4.2132 8.3930 121.4592 58.0990 41.9481 179.1607 68 G 3.6177 8.3691 105.4574 47.7830 0.0000 175.2285 69 N 4.4748 8.3548 118.9870 55.8077 38.6698 177.1925 70 L 3.7795 7.8682 121.7866 58.2433 42.0229 178.9835 71 L 4.3943 7.9913 116.4634 56.7243 41.6375 178.4630 72 R 4.2883 7.6470 117.8688 56.5916 30.4901 176.4395 73 S 4.4653 7.1380 112.4271 58.2279 63.8008 174.2387 74 K 4.3546 8.5118 119.5132 57.2618 32.6991 177.3112 75 T 4.6278 7.8322 108.9271 61.3635 70.1116 173.6681 76 F 5.2546 7.8368 123.0529 56.7398 42.6363 174.0610 77 I 4.3151 7.7507 125.4656 59.2912 40.8357 173.9220 78 A 4.9557 8.3330 128.6271 49.9880 21.5921 174.6949 79 L 5.2435 9.3252 122.7008 52.9348 45.3467 175.7099 80 A 5.0561 8.8599 123.2339 50.0575 23.1098 174.5097 81 A 5.1898 8.8421 122.3599 50.1184 21.9427 175.5127 82 F 5.2195 10.0760 121.6993 55.6129 42.7985 174.3024 83 D 4.8449 8.7580 121.7954 52.7535 43.9413 175.4201 84 Q 3.7846 9.5004 125.2749 57.1975 26.1246 173.5199 85 E 3.8895 8.6857 112.6993 57.4329 26.9676 174.1479 86 A 4.7617 7.7040 120.2432 49.8047 21.6950 176.8214 87 V 3.3956 8.3242 122.6225 63.0066 31.9253 175.8550 88 V 4.2238 8.5868 125.4657 61.0790 33.2597 175.2671 89 G 4.3670 7.3161 106.5305 45.4777 0.0000 172.3152 90 A 5.1633 8.7600 124.4325 49.9682 23.3581 174.8507 91 L 5.3348 9.5200 121.7687 53.4237 45.7857 174.8572 92 A 5.1480 9.9615 128.3748 50.1695 21.6538 174.7596 93 A 5.2576 8.6555 123.7265 50.4863 23.4224 174.1666 94 Y 5.2060 9.1334 116.6003 56.2441 41.5550 175.0929 95 V 4.6794 8.9853 123.9339 61.5365 33.1772 175.0469 96 L 4.6312 9.6096 130.2530 52.7686 43.0416 174.3012 97 P 4.8581 0.0000 0.0000 61.9580 31.6644 176.9362 98 K 4.2932 8.8961 125.3510 56.3624 32.2862 177.3373 99 F 4.6228 7.8159 117.3361 58.5190 39.0591 177.2200 100 E 4.0637 6.7714 118.4007 58.6271 29.6938 176.6458 101 Q 4.5434 7.2502 115.4263 53.4455 33.1732 173.4813 102 P 4.6241 0.0000 0.0000 61.8284 29.6461 174.6053 103 R 4.9541 7.3941 120.6715 55.6463 34.1275 174.8849 104 S 5.3495 8.7886 112.2143 56.7796 66.9187 172.5885 105 E 4.7644 9.1700 120.0961 54.6866 33.1982 174.7641 106 I 5.0885 8.4602 124.2551 59.9328 39.9333 174.2282 107 Y 4.9872 9.1672 124.1285 56.1541 41.0547 174.9546 108 I 4.2479 9.2848 126.9173 61.4890 37.0355 175.6389 109 Y 4.3451 9.4466 129.9362 60.0257 38.9303 174.9515 110 D 5.1343 8.3030 118.0460 52.3273 44.6923 174.3588 111 L 5.3716 8.7124 123.7897 53.8830 45.0786 174.7498 112 A 4.8370 9.2768 126.9161 50.6996 23.0441 174.8207 113 V 4.6682 8.0966 119.3311 60.4770 34.8640 175.1637 114 S 4.2868 8.3525 121.4238 58.0455 62.6820 175.7916 115 G 3.6225 8.4758 115.1318 47.9473 0.0000 174.0164 116 E 4.4397 7.9301 117.6497 56.8767 29.7115 176.0088 117 H 4.9147 8.1894 115.4107 55.4256 29.1874 173.9732 118 R 4.1374 7.9871 118.3316 56.6784 30.5452 176.2366 119 R 4.0398 8.3986 115.0233 57.9357 27.5926 177.1047 120 Q 4.4332 7.7389 113.8147 55.4334 30.1885 176.9215 121 G 3.9477 8.2491 106.6053 46.1209 0.0000 175.6809 122 I 3.6624 7.7993 121.7580 64.1608 37.1321 178.0270 123 A 3.9930 7.9513 121.1138 55.4501 18.2204 179.5525 124 T 3.7801 7.9203 113.5069 66.8385 68.6498 176.5193 125 A 4.0169 8.1443 122.6882 55.0875 18.3082 179.7447 126 L 3.9826 8.0993 117.7370 57.9965 41.6668 179.7760 127 I 3.7559 8.0294 119.9500 64.3182 36.9760 178.2795 128 N 4.3480 8.3759 117.6036 56.1083 38.2614 177.2290 129 L 3.9736 7.9169 121.7510 57.9759 42.1501 178.7051 130 L 3.9304 8.0668 120.4663 58.1747 41.9398 179.1817 131 K 4.0319 8.1983 118.5269 59.5409 32.0619 178.8101 132 H 4.1271 8.1704 118.6490 59.3092 29.7084 177.2433 133 E 3.9190 8.4673 120.4276 59.1695 29.2358 179.0656 134 A 3.9487 8.3614 121.2425 55.2460 18.2586 179.0668 135 N 4.1638 8.0589 113.8771 56.9695 39.0840 176.5925 136 A 4.0829 7.5710 120.4169 54.9888 18.5077 179.0490 137 L 4.0940 7.9667 118.4919 56.4295 42.2989 177.9769 138 G 3.9709 8.7460 106.2307 44.4995 0.0000 173.5871 139 A 4.4683 8.0225 121.7261 52.3214 18.5831 176.9904 140 Y 4.5318 8.2949 119.0311 57.4913 39.1759 175.5101 141 V 4.1333 6.4503 119.2291 61.8176 35.5044 172.4348 142 I 4.8903 7.6562 124.0206 59.8157 41.1182 173.7732 143 Y 4.9387 9.1807 125.2785 56.2596 40.6628 175.0307 144 V 4.8283 8.8692 122.2495 60.6337 35.8846 174.0992 145 Q 4.1991 8.5250 124.7811 55.2273 29.3307 175.4254 146 A 4.4529 8.3277 131.2261 52.0079 18.3758 176.9578 147 D 4.2739 7.7985 118.1584 55.4917 39.8685 176.4943 148 Y 4.6048 8.1485 114.4896 56.8834 41.4082 175.9328 149 G 4.2437 8.2324 114.3379 46.2561 0.0000 175.5518 150 D 4.3521 8.5134 118.4126 56.4769 39.0678 175.9062 151 D 4.3738 7.4006 120.0917 53.4889 38.2736 175.0217 152 P 4.2809 0.0000 0.0000 64.3596 32.1672 177.7034 153 A 4.6101 7.7520 120.4495 50.5398 19.4523 176.2888 154 V 4.3506 7.4858 115.9896 61.8395 34.3399 175.5595 155 A 4.2559 8.2867 128.4123 50.8275 20.2250 174.7216 156 L 4.7781 8.0617 123.6077 54.8795 44.2380 174.8246 157 Y 5.4074 8.7011 121.3880 56.7622 41.9420 174.7755 158 T 4.8506 9.2420 118.0459 61.4885 72.9540 173.1926 159 K 3.7694 8.4891 125.8646 56.1514 32.0841 176.2025 160 L 3.8967 8.9126 131.2419 57.3231 42.8801 176.9004 *161 G 3.5661 7.5237 110.6629 45.6672 0.0000 172.1918 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 25 G 8.35 3.70 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 0.00 0.00 0.00 26 I 7.84 2.88 1.88 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 1.42 0.58 0.92 0.00 0.00 27 I 9.03 4.74 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.61 0.98 0.00 0.00 28 R 8.99 4.88 0.00 1.79 1.82 0.00 3.02 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 29 T 8.29 5.42 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 1.23 0.00 0.00 30 C 8.24 4.75 0.00 2.98 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 31 R 8.58 4.74 0.00 1.83 1.89 0.00 3.27 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 32 L 8.91 4.57 0.00 1.63 1.66 0.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 G 9.40 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.53 0.00 2.21 2.38 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 35 D 8.04 4.70 0.00 2.85 2.96 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 36 Q 8.24 4.55 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 37 V 8.09 3.67 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 1.21 0.00 0.00 1.04 0.00 0.00 38 K 8.07 3.97 0.00 1.88 1.88 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.57 7.81 39 S 8.10 4.24 0.00 4.14 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 40 M 8.08 4.03 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.76 0.00 41 R 8.43 3.98 0.00 2.07 1.99 0.00 3.20 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 42 A 8.07 4.13 1.32 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 43 A 8.44 3.63 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.97 4.26 0.00 2.01 2.16 1.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.15 4.39 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 46 L 7.62 3.78 0.00 1.52 1.41 0.74 0.62 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 47 F 7.69 3.72 0.00 3.00 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 0.00 0.00 0.00 48 G 8.06 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 49 R 7.97 3.92 0.00 1.78 1.93 0.00 3.09 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 50 E 8.26 3.95 0.00 1.43 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 2.32 2.39 0.00 51 F 7.83 5.14 0.00 3.03 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 52 G 8.02 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 0.00 0.00 0.00 0.00 53 D 8.42 4.84 0.00 2.83 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 54 V 8.01 3.74 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 1.03 0.00 0.00 0.97 0.00 0.00 55 A 8.10 4.03 1.37 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 0.00 0.00 56 T 7.68 3.83 4.61 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 0.87 0.00 0.00 57 Y 7.82 4.55 0.00 3.08 3.35 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 58 S 8.33 4.67 0.00 3.95 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 59 Q 8.13 4.39 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.21 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 60 H 7.65 5.00 0.00 3.04 3.16 0.00 5.70 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.14 4.11 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.05 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 62 P 0.00 4.21 0.00 1.42 1.12 0.00 3.70 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.71 0.00 63 D 8.14 4.64 0.00 2.99 2.86 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 64 S 8.51 4.23 0.00 3.92 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 65 D 8.17 4.33 0.00 2.74 2.86 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 66 Y 8.75 3.95 0.00 3.09 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 67 L 8.39 4.21 0.00 2.12 1.73 1.04 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 68 G 8.37 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 69 N 8.35 4.47 0.00 2.71 2.78 0.00 0.00 6.64 6.25 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 70 L 7.87 3.78 0.00 1.53 1.72 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.99 4.39 0.00 1.73 1.81 1.12 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.65 4.29 0.00 2.04 2.13 0.00 3.26 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 73 S 7.14 4.47 0.00 4.12 3.88 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 0.00 0.00 0.00 74 K 8.51 4.35 0.00 1.80 1.92 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.44 7.81 75 T 7.83 4.63 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 76 F 7.84 5.25 0.00 3.00 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 77 I 7.75 4.32 1.63 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 1.07 0.56 0.79 0.00 0.00 78 A 8.33 4.96 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 79 L 9.33 5.24 0.00 1.56 1.53 0.88 0.80 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 80 A 8.86 5.06 0.95 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 81 A 8.84 5.19 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 10.08 5.22 0.00 2.80 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 0.00 83 D 8.76 4.84 0.00 2.72 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 84 Q 9.50 3.78 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 85 E 8.69 3.89 0.00 2.15 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 0.00 2.13 2.28 0.00 86 A 7.70 4.76 1.23 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 87 V 8.32 3.40 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 0.44 0.00 0.00 0.53 0.00 0.00 88 V 8.59 4.22 1.81 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 0.78 0.00 0.00 0.44 0.00 0.00 89 G 7.32 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 0.00 0.00 0.00 0.00 90 A 8.76 5.16 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 9.52 5.33 0.00 1.65 1.50 0.94 1.16 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 92 A 9.96 5.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.66 5.26 1.21 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 0.00 0.00 94 Y 9.13 5.21 0.00 3.05 2.96 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 95 V 8.99 4.68 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 0.83 0.00 0.00 0.98 0.00 0.00 96 L 9.61 4.63 0.00 1.70 1.68 0.53 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.86 0.00 2.00 2.07 0.00 3.75 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 2.09 2.19 0.00 98 K 8.90 4.29 0.00 1.83 1.74 0.00 1.77 0.00 0.00 1.99 0.00 0.00 2.77 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.68 1.69 7.81 99 F 7.82 4.62 0.00 3.21 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 0.00 100 E 6.77 4.06 0.00 1.97 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 2.07 2.09 0.00 101 Q 7.25 4.54 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.60 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 102 P 0.00 4.62 0.00 2.17 2.08 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 103 R 7.39 4.95 0.00 1.90 1.93 0.00 2.21 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 104 S 8.79 5.35 0.00 3.94 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 0.00 105 E 9.17 4.76 0.00 2.16 1.81 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 1.99 2.44 0.00 106 I 8.46 5.09 1.82 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.25 0.99 0.00 0.00 107 Y 9.17 4.99 0.00 2.98 2.82 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 0.00 108 I 9.28 4.25 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 1.02 0.00 0.00 109 Y 9.45 4.35 0.00 3.46 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 0.00 110 D 8.30 5.13 0.00 2.25 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 0.00 111 L 8.71 5.37 0.00 1.72 1.61 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 112 A 9.28 4.84 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 0.00 113 V 8.10 4.67 2.06 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 0.86 0.00 0.00 0.91 0.00 0.00 114 S 8.35 4.29 0.00 3.80 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.48 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 0.00 116 E 7.93 4.44 0.00 2.01 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 2.28 2.40 0.00 117 H 8.19 4.91 0.00 2.99 3.23 0.00 5.85 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.99 4.14 0.00 1.84 1.85 0.00 3.44 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.59 0.00 119 R 8.40 4.04 0.00 1.92 1.98 0.00 3.32 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 120 Q 7.74 4.43 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.97 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 121 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 0.00 122 I 7.80 3.66 1.85 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 1.56 0.55 0.87 0.00 0.00 123 A 7.95 3.99 1.32 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 0.00 124 T 7.92 3.78 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 1.21 0.00 0.00 125 A 8.14 4.02 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 0.00 126 L 8.10 3.98 0.00 1.86 1.73 0.87 0.66 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 0.00 127 I 8.03 3.76 2.00 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 1.53 0.75 0.90 0.00 0.00 128 N 8.38 4.35 0.00 2.87 2.86 0.00 0.00 6.60 6.35 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 0.00 129 L 7.92 3.97 0.00 1.79 1.86 0.99 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.07 3.93 0.00 1.88 1.80 0.90 0.53 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 0.00 131 K 8.20 4.03 0.00 2.02 1.84 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.68 7.81 132 H 8.17 4.13 0.00 3.26 3.58 0.00 5.78 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 0.00 133 E 8.47 3.92 0.00 2.17 1.96 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 2.56 2.46 0.00 134 A 8.36 3.95 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 0.00 135 N 8.06 4.16 0.00 2.71 2.97 0.00 0.00 7.28 7.63 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 0.00 136 A 7.57 4.08 1.30 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 0.00 137 L 7.97 4.09 0.00 1.83 1.88 0.94 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.75 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 0.00 139 A 8.02 4.47 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 0.00 140 Y 8.29 4.53 0.00 3.14 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 0.00 141 V 6.45 4.13 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 0.40 0.00 0.00 0.60 0.00 0.00 142 I 7.66 4.89 1.73 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 1.26 0.65 0.86 0.00 0.00 143 Y 9.18 4.94 0.00 2.33 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 0.00 144 V 8.87 4.83 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.94 0.00 0.00 145 Q 8.53 4.20 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.54 0.00 0.00 0.00 0.00 0.00 2.26 2.01 0.00 146 A 8.33 4.45 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 0.00 147 D 7.80 4.27 0.00 2.71 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 0.00 148 Y 8.15 4.60 0.00 2.94 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 0.00 149 G 8.23 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 0.00 0.00 0.00 0.00 150 D 8.51 4.35 0.00 2.79 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 0.00 151 D 7.40 4.37 0.00 2.60 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 0.00 152 P 0.00 4.28 0.00 2.17 2.11 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 153 A 7.75 4.61 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.49 4.35 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 0.87 0.00 0.00 0.93 0.00 0.00 155 A 8.29 4.26 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 0.00 156 L 8.06 4.78 0.00 1.80 1.49 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 157 Y 8.70 5.41 0.00 2.93 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 0.00 158 T 9.24 4.85 4.25 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 1.21 0.00 0.00 159 K 8.49 3.77 0.00 1.28 1.52 0.00 1.63 0.00 0.00 1.45 0.00 0.00 2.42 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.17 0.81 7.81 160 L 8.91 3.90 0.00 1.55 1.74 0.87 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *161 G 7.52 3.57 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 0.00 * Residues marked with a * may have inaccurate shift predictions.