NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.3776 8.3531 120.1793 54.9441 42.2492 174.2257 6 G 3.4553 7.9067 111.0659 44.0554 0.0000 171.1696 7 A 3.5999 8.4960 123.8096 50.0771 21.2826 176.0734 8 C 4.4031 7.9908 117.3183 55.9241 40.7928 172.6596 9 P 4.4080 0.0000 0.0000 62.1062 31.5487 176.1417 10 E 4.0481 8.4300 117.1527 56.1828 28.7459 176.2888 11 V 3.8720 8.1323 124.6469 61.6099 32.4939 175.7796 12 K 4.3750 8.2384 126.4024 53.9970 32.5622 173.8308 13 P 4.5774 0.0000 0.0000 62.2215 32.3319 176.4775 14 V 3.9307 8.0294 112.2657 61.5953 31.8685 176.4908 15 D 4.8565 8.5355 118.1376 53.0910 39.5893 175.8812 16 N 5.0640 8.0006 114.2360 53.0328 38.3389 173.7031 17 F 4.2607 8.9347 122.4091 58.6428 39.9735 173.5957 18 D 4.7601 7.7186 127.2422 52.0367 41.6686 176.6772 19 W 3.9124 8.6815 127.9776 59.1123 29.3885 178.4617 20 S 4.4302 8.0138 111.6352 59.9308 62.6288 175.2473 21 Q 3.8909 7.1426 119.7888 57.8479 28.5738 175.9820 22 Y 4.4540 6.8362 116.1354 56.6822 36.5932 174.1788 23 H 5.1365 8.8079 118.0062 55.3693 31.7393 175.6138 24 G 3.8740 8.6758 109.7322 44.5869 0.0000 171.8262 25 K 4.8696 8.3495 119.6657 55.5584 33.1628 176.8898 26 W 5.0826 9.2194 126.4015 54.7670 33.0402 174.1841 27 W 5.0215 9.5495 124.1364 55.2426 31.0578 175.6436 28 Q 5.2256 9.2371 126.3424 55.4511 27.3828 175.6338 29 V 4.4360 8.8382 119.1858 62.8694 33.3253 175.4608 30 A 4.9888 7.9226 120.3732 51.1289 22.5791 174.7692 31 A 4.7407 8.3658 120.2128 51.0444 23.7381 175.4016 32 Y 4.7551 8.7487 117.3864 57.7017 38.6210 176.5804 33 P 4.3034 0.0000 0.0000 66.2289 31.3065 178.4471 34 D 4.3569 8.2507 118.1357 57.5421 40.6668 178.1724 35 H 4.2437 8.3698 118.0728 59.4757 30.0276 177.2848 36 I 3.9112 7.8767 121.8993 64.3924 36.6420 178.4081 37 T 3.9411 7.8824 110.0478 64.1747 68.9386 176.8605 38 K 3.7450 7.5918 120.4898 58.2589 32.2787 177.9065 39 Y 4.5721 7.4241 113.5295 56.2594 38.9645 176.3099 40 G 3.9381 7.3693 107.5750 44.7000 0.0000 173.8200 41 K 4.3244 8.5148 119.9918 56.1225 34.1188 175.6103 42 C 4.5487 8.6321 113.1563 58.0909 38.7435 173.6614 43 G 4.3393 8.4008 106.4732 45.3368 0.0000 173.7982 44 W 5.8960 8.4867 120.7171 54.8736 32.3696 173.7486 45 A 4.9813 9.3222 121.8497 50.2385 22.6253 174.4879 46 E 4.9666 9.2005 122.5115 54.7256 32.2157 174.2346 47 Y 5.4172 8.6376 124.5547 56.9227 40.8526 175.1945 48 T 4.8371 8.9152 119.1970 61.2442 72.2611 171.8065 49 P 4.7527 0.0000 0.0000 62.7994 32.5990 177.2707 50 E 4.6629 9.4155 123.8593 55.3641 31.4879 176.2890 51 G 4.0152 7.8791 117.2593 46.2491 0.0000 174.8492 52 K 4.0147 8.9636 125.0815 57.7044 32.2496 176.3428 53 S 4.6410 7.7657 113.7147 56.5115 66.2815 173.1472 54 V 4.8652 8.1449 118.9893 61.0089 34.3649 174.0507 55 K 4.7682 9.1342 129.9853 55.6547 33.8670 175.2580 56 V 4.9227 8.9606 127.3158 61.2190 34.4595 174.2957 57 S 5.1392 8.8576 123.0266 56.8178 66.3160 172.9647 58 R 4.7695 9.0118 124.9568 54.4575 33.6663 173.0647 59 Y 4.3161 7.5165 126.7574 55.6209 41.0342 174.4764 60 S 4.5405 7.2866 119.1503 57.4200 67.5047 173.1600 61 V 4.5763 8.5361 120.8396 61.3292 33.3353 174.3350 62 I 4.4961 8.6244 129.5899 59.7874 39.7514 175.9703 63 H 4.2409 9.4828 126.2229 56.9646 26.0042 176.1349 64 G 3.9206 8.1801 104.2079 45.6127 0.0000 173.1370 65 K 4.4168 7.7053 121.8694 53.9568 33.9438 174.8877 66 E 4.3124 8.3246 124.2507 56.5680 30.6658 175.6584 67 Y 4.8045 8.2284 119.1788 56.3604 42.6643 173.9993 68 F 5.0662 8.9035 121.4441 56.1626 40.8929 175.2293 69 S 4.9506 9.1291 117.7935 56.3540 66.5620 172.3848 70 E 5.1897 8.6405 117.0301 55.0025 33.1350 174.6970 71 G 4.5709 8.8153 106.6315 46.2444 0.0000 171.7161 72 T 5.2129 8.7182 116.3043 61.3826 72.2660 173.2390 73 A 5.3880 8.9887 126.6170 50.5330 22.1109 174.9246 74 Y 5.0948 9.4000 118.9030 55.3314 42.5797 173.3247 75 P 4.9212 0.0000 0.0000 62.7955 32.7238 175.4520 76 V 4.0418 8.2261 122.0164 62.2019 32.5929 176.8348 77 G 3.6876 8.7539 117.1311 45.4026 0.0000 172.4025 78 D 4.3388 8.5730 122.0271 54.3033 40.9574 177.8550 79 S 4.3918 8.9357 122.6658 61.3185 63.0787 176.7544 80 K 4.1766 8.3422 119.2200 58.2081 31.9898 178.1243 81 I 4.8415 7.3308 117.2765 60.5510 38.3501 175.8373 82 G 3.1586 7.8398 108.1416 46.1037 0.0000 172.1315 83 K 4.7492 7.8484 120.6335 54.2522 34.5891 174.7040 84 I 5.0031 8.2290 127.8176 59.6546 40.7541 174.1036 85 Y 5.0939 9.5125 128.2547 57.3180 40.9996 173.6952 86 H 5.1317 8.3129 124.1705 54.9887 33.4822 172.7247 87 S 4.9325 8.8247 120.6920 57.5404 65.9564 172.9086 88 Y 4.8248 9.1202 122.6329 56.9815 41.8471 173.5818 89 T 5.2050 8.5554 124.3360 60.7984 71.6338 173.3408 90 I 4.3964 7.7995 125.6579 59.6673 41.8608 174.8694 91 G 4.2665 9.6343 116.4341 46.7089 0.0000 174.0578 92 G 3.8701 8.2601 104.0716 45.0367 0.0000 173.4845 93 V 4.3508 7.4674 119.2998 60.9758 33.6810 174.1187 94 T 5.0698 8.3690 122.9266 62.0227 70.8357 173.5670 95 Q 4.9307 9.2533 123.8293 54.3526 33.3443 173.9675 96 E 4.9395 8.2452 117.4057 55.3758 32.9955 173.9993 97 G 4.0392 7.6407 107.0423 46.3631 0.0000 171.8723 98 V 5.2677 8.7720 119.5097 60.9639 34.0421 174.3013 99 F 5.4001 8.9058 121.0749 55.3299 42.3852 172.9022 100 N 5.2716 9.1898 115.5228 51.3523 42.3221 174.2351 101 V 4.1027 8.4301 123.7673 62.2019 31.9252 176.6092 102 L 4.0461 8.3972 129.4476 57.5551 42.3281 177.8479 103 S 4.3262 7.4184 109.4924 57.8071 64.9711 173.4841 104 T 3.8129 7.9871 118.9018 61.4566 68.3279 172.4624 105 D 4.6944 7.1650 124.0813 52.2847 39.7362 176.3522 106 N 4.1292 8.1830 115.8482 53.9692 36.8133 174.8978 107 K 4.6870 7.9165 113.1821 58.0652 38.0112 176.4370 108 N 5.0392 9.0305 117.0942 53.0706 41.3263 173.6126 109 Y 6.2691 7.8800 114.4545 56.3486 42.1193 174.0627 110 I 4.8604 8.6793 119.6040 60.2031 42.2013 173.7882 111 I 4.5900 9.0385 128.3631 59.7076 39.1617 175.2737 112 G 3.4559 7.9115 114.8074 44.6006 0.0000 171.6187 113 Y 5.0568 7.8818 120.8643 55.8712 42.7026 173.5155 114 F 5.1488 8.6096 127.7305 56.6127 43.4232 172.4364 115 C 5.0666 7.5322 123.7477 54.7340 42.0545 172.8644 116 S 4.7906 8.6296 120.1152 56.6255 65.4231 172.4081 117 Y 5.5835 8.3998 122.7926 55.0102 41.6314 175.1947 *122 K 4.3559 8.6263 122.0159 55.6867 33.7998 174.7780 123 G 4.3715 7.8126 106.0410 44.3941 0.0000 170.5463 124 H 5.2366 8.3619 112.7277 54.1002 31.5474 172.1627 125 M 4.9064 8.6721 121.0818 54.0156 34.9123 174.1030 126 D 5.3966 8.7992 123.6909 52.6093 45.0925 175.0460 127 L 5.1341 8.8348 121.1173 53.2473 46.3412 175.6584 128 V 4.7765 8.1174 122.0688 60.7859 35.0629 173.8809 129 W 5.5283 8.1395 122.9633 54.7179 32.2474 173.9211 130 V 4.7809 9.3310 121.5426 61.3318 33.7490 174.1191 131 L 5.5705 8.9192 127.9652 53.4761 44.4092 175.5868 132 S 5.5234 9.7088 116.6127 56.6860 65.8309 175.0054 133 R 3.7816 8.3600 124.0892 58.0515 30.1596 177.1445 134 S 4.7805 7.9160 112.4066 56.2790 65.2655 174.4225 135 M 3.4008 7.9990 120.6776 57.0099 31.9207 177.0027 136 V 4.4557 6.9593 117.1255 60.4169 34.4022 174.8398 137 L 4.1707 8.7571 127.1580 55.0254 41.5456 176.3660 138 T 4.6915 8.2669 113.2095 59.6125 73.6345 178.8128 139 G 3.8745 8.8430 112.8759 46.3841 0.0000 174.8230 140 E 3.8869 9.5312 123.8453 59.3370 29.6350 176.6959 141 A 4.1282 7.9897 119.9947 55.0278 18.4657 179.2733 142 K 3.8342 7.7722 117.9809 60.1292 32.4387 179.2587 143 T 3.8770 7.9425 115.4782 66.1464 68.2962 176.8667 144 A 4.0115 7.8839 122.5595 55.2167 18.6718 179.7817 145 V 3.3355 7.7865 117.1278 66.1853 31.5242 178.1168 146 E 4.0408 8.4831 118.5598 59.5157 29.1713 179.1067 147 N 4.3980 8.1692 116.2180 56.2523 38.3158 176.8411 148 Y 4.0235 7.8086 120.3157 60.7652 39.0761 177.9258 149 L 3.9870 7.8146 119.4211 57.6225 41.4620 179.5494 150 I 3.7974 7.6376 119.4312 63.7859 37.1617 177.7749 151 G 3.7880 7.3045 103.4239 43.7442 0.0000 173.6628 152 S 3.9791 6.7322 116.7980 56.9582 62.9020 172.4732 153 P 4.3796 0.0000 0.0000 64.6416 31.5682 177.2137 154 V 4.1863 7.5950 109.4661 60.6731 33.3808 175.3441 155 V 4.3348 7.3266 119.8849 60.9705 32.9171 174.7536 156 D 4.7720 8.8734 127.4381 52.2695 40.9072 176.4989 157 S 4.2480 8.6966 122.4982 61.4014 63.1274 176.9208 158 Q 4.0770 7.6951 118.2413 58.7637 28.5054 178.2341 159 K 4.1180 8.2884 115.8286 57.9996 32.4239 177.2095 160 L 4.4216 7.7414 119.7849 54.7377 42.3228 176.6444 161 V 4.3247 8.7396 124.6235 61.6389 33.3015 174.0492 162 Y 4.9208 8.6192 125.5457 56.8153 39.1590 175.7581 163 S 4.1059 8.9393 120.7251 58.5248 64.0728 174.0769 164 D 4.5987 8.1834 122.1256 52.3983 41.5215 175.6682 165 F 4.4779 8.4208 122.2617 57.9240 38.6507 177.2166 166 S 4.1946 8.1103 120.1227 61.8457 62.6731 175.1533 *170 C 4.6545 8.1390 117.8124 57.2767 42.0305 174.4908 *171 K 4.1728 8.0653 124.3071 54.7203 32.0057 179.1049 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 5 D 8.35 4.38 0.00 2.64 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 6 G 7.91 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.50 3.60 0.54 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 8 C 7.99 4.40 0.00 2.95 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.41 0.00 2.13 2.04 0.00 3.79 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 1.98 1.94 0.00 10 E 8.43 4.05 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 11 V 8.13 3.87 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 0.79 0.00 0.00 1.11 0.00 0.00 12 K 8.24 4.38 0.00 1.86 1.80 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.33 7.81 13 P 0.00 4.58 0.00 2.36 2.06 0.00 3.76 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 1.96 2.13 0.00 14 V 8.03 3.93 2.27 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 0.66 0.00 0.00 0.98 0.00 0.00 15 D 8.54 4.86 0.00 2.76 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 16 N 8.00 5.06 0.00 2.81 2.89 0.00 0.00 6.16 7.43 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 17 F 8.93 4.26 0.00 3.08 3.34 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 0.00 18 D 7.72 4.76 0.00 2.67 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 W 8.68 3.91 0.00 3.53 3.43 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 20 S 8.01 4.43 0.00 4.01 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 21 Q 7.14 3.89 0.00 1.62 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 22 Y 6.84 4.45 0.00 2.61 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 0.00 0.00 0.00 23 H 8.81 5.14 0.00 3.38 3.35 0.00 5.60 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 24 G 8.68 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 0.00 0.00 0.00 25 K 8.35 4.87 0.00 1.75 1.51 0.00 1.13 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.42 1.08 7.81 26 W 9.22 5.08 0.00 3.57 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 27 W 9.55 5.02 0.00 3.34 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 9.24 5.23 0.00 2.33 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.95 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 29 V 8.84 4.44 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 1.07 0.00 0.00 1.20 0.00 0.00 30 A 7.92 4.99 0.64 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 31 A 8.37 4.74 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 32 Y 8.75 4.76 0.00 2.93 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 33 P 0.00 4.30 0.00 2.27 2.33 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 34 D 8.25 4.36 0.00 2.86 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 35 H 8.37 4.24 0.00 3.34 3.57 0.00 5.67 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 36 I 7.88 3.91 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.82 0.91 0.00 0.00 37 T 7.88 3.94 4.19 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 1.23 0.00 0.00 38 K 7.59 3.75 0.00 1.02 0.74 0.00 1.25 0.00 0.00 1.45 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.19 1.35 7.81 39 Y 7.42 4.57 0.00 2.57 2.55 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 0.00 40 G 7.37 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 41 K 8.51 4.32 0.00 1.98 1.97 0.00 1.49 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.43 7.81 42 C 8.63 4.55 0.00 3.38 3.66 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 43 G 8.40 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 0.00 0.00 0.00 0.00 44 W 8.49 5.90 0.00 2.84 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 45 A 9.32 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.20 4.97 0.00 2.24 1.89 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 2.27 2.32 0.00 47 Y 8.64 5.42 0.00 3.28 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 48 T 8.92 4.84 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 1.27 0.00 0.00 49 P 0.00 4.75 0.00 2.00 2.08 0.00 3.77 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 2.10 2.21 0.00 50 E 9.42 4.66 0.00 1.92 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 51 G 7.88 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 52 K 8.96 4.01 0.00 1.84 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.41 7.81 53 S 7.77 4.64 0.00 3.30 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 54 V 8.14 4.87 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 1.19 0.00 0.00 1.28 0.00 0.00 55 K 9.13 4.77 0.00 2.04 1.85 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.45 7.81 56 V 8.96 4.92 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 0.84 0.00 0.00 1.17 0.00 0.00 57 S 8.86 5.14 0.00 3.83 3.74 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 58 R 9.01 4.77 0.00 1.74 1.63 0.00 2.97 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.51 0.00 59 Y 7.52 4.32 0.00 1.46 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 60 S 7.29 4.54 0.00 3.90 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.54 4.58 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 0.95 0.00 0.00 0.95 0.00 0.00 62 I 8.62 4.50 1.94 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 1.14 0.87 0.70 0.00 0.00 63 H 9.48 4.24 0.00 3.31 3.32 0.00 5.81 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 64 G 8.18 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 65 K 7.71 4.42 0.00 1.76 1.74 0.00 1.37 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.45 0.89 7.81 66 E 8.32 4.31 0.00 1.83 1.86 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 2.18 2.29 0.00 67 Y 8.23 4.80 0.00 2.70 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 68 F 8.90 5.07 0.00 2.98 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 69 S 9.13 4.95 0.00 3.58 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 70 E 8.64 5.19 0.00 2.00 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 2.10 2.19 0.00 71 G 8.82 4.57 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 72 T 8.72 5.21 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 0.91 0.00 0.00 73 A 8.99 5.39 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.40 5.09 0.00 2.99 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 75 P 0.00 4.92 0.00 1.92 1.87 0.00 3.53 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.60 0.00 76 V 8.23 4.04 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 0.77 0.00 0.00 1.00 0.00 0.00 77 G 8.75 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 0.00 0.00 0.00 78 D 8.57 4.34 0.00 2.78 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 79 S 8.94 4.39 0.00 4.25 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.34 4.18 0.00 2.15 1.99 0.00 1.97 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.61 1.48 7.81 81 I 7.33 4.84 1.90 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 1.16 0.49 0.96 0.00 0.00 82 G 7.84 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 0.00 0.00 0.00 83 K 7.85 4.75 0.00 1.78 1.64 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.40 7.81 84 I 8.23 5.00 0.56 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.17 0.92 0.00 0.00 85 Y 9.51 5.09 0.00 3.04 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 86 H 8.31 5.13 0.00 3.23 2.94 0.00 5.62 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.82 4.93 0.00 3.96 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 88 Y 9.12 4.82 0.00 2.79 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 89 T 8.56 5.20 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 90 I 7.80 4.40 1.27 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.10 0.40 0.00 0.00 91 G 9.63 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 92 G 8.26 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 0.00 0.00 0.00 93 V 7.47 4.35 2.14 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 0.98 0.00 0.00 0.90 0.00 0.00 94 T 8.37 5.07 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 1.23 0.00 0.00 95 Q 9.25 4.93 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 96 E 8.25 4.94 0.00 1.83 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 2.27 2.49 0.00 97 G 7.64 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 0.00 0.00 0.00 98 V 8.77 5.27 2.23 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 0.97 0.00 0.00 1.10 0.00 0.00 99 F 8.91 5.40 0.00 3.57 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 9.19 5.27 0.00 2.77 2.71 0.00 0.00 7.05 7.04 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 0.00 101 V 8.43 4.10 1.70 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 0.83 0.00 0.00 0.46 0.00 0.00 102 L 8.40 4.05 0.00 1.32 1.46 0.79 0.69 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 0.00 103 S 7.42 4.33 0.00 2.72 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 0.00 104 T 7.99 3.81 4.20 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 1.28 0.00 0.00 105 D 7.17 4.69 0.00 2.69 2.93 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 0.00 106 N 8.18 4.13 0.00 2.78 2.80 0.00 0.00 6.67 8.46 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 0.00 107 K 7.92 4.69 0.00 1.78 1.83 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.67 7.81 108 N 9.03 5.04 0.00 3.02 2.99 0.00 0.00 6.65 6.99 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 0.00 109 Y 7.88 6.27 0.00 3.31 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 0.00 110 I 8.68 4.86 1.84 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 0.84 0.00 0.00 111 I 9.04 4.59 1.72 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 1.17 0.84 0.75 0.00 0.00 112 G 7.91 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.88 5.06 0.00 2.89 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 0.00 114 F 8.61 5.15 0.00 3.23 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 0.00 115 C 7.53 5.07 0.00 2.54 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 0.00 116 S 8.63 4.79 0.00 3.94 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 0.00 117 Y 8.40 5.58 0.00 2.83 2.81 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 *122 K 8.63 4.36 0.00 1.94 1.87 0.00 1.66 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.55 7.81 123 G 7.81 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 0.00 124 H 8.36 5.24 0.00 3.31 3.27 0.00 5.50 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 0.00 125 M 8.67 4.91 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 126 D 8.80 5.40 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 0.00 127 L 8.83 5.13 0.00 1.85 1.82 1.17 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 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4.46 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 0.81 0.00 0.00 0.89 0.00 0.00 137 L 8.76 4.17 0.00 1.73 1.65 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 138 T 8.27 4.69 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 1.20 0.00 0.00 139 G 8.84 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 0.00 0.00 0.00 140 E 9.53 3.89 0.00 2.07 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 2.44 2.43 0.00 141 A 7.99 4.13 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 0.00 142 K 7.77 3.83 0.00 1.71 1.81 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.47 7.81 143 T 7.94 3.88 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 0.00 144 A 7.88 4.01 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 0.00 0.00 0.00 0.00 0.00 145 V 7.79 3.34 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 1.03 0.00 0.00 0.19 0.00 0.00 146 E 8.48 4.04 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 2.35 2.48 0.00 147 N 8.17 4.40 0.00 2.83 2.90 0.00 0.00 6.65 6.75 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 0.00 148 Y 7.81 4.02 0.00 3.08 3.23 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 0.00 149 L 7.81 3.99 0.00 1.94 1.71 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 150 I 7.64 3.80 1.83 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 1.44 0.57 0.88 0.00 0.00 151 G 7.30 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 0.00 0.00 0.00 152 S 6.73 3.98 0.00 2.90 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.16 2.11 0.00 3.66 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 1.91 1.93 0.00 154 V 7.59 4.19 1.72 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 0.56 0.00 0.00 0.45 0.00 0.00 155 V 7.33 4.33 2.14 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 0.84 0.00 0.00 1.00 0.00 0.00 156 D 8.87 4.77 0.00 2.81 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 0.00 157 S 8.70 4.25 0.00 4.13 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 Q 7.70 4.08 0.00 2.47 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.03 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 159 K 8.29 4.12 0.00 1.70 1.42 0.00 1.49 0.00 0.00 1.21 0.00 0.00 2.30 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.18 1.25 7.81 160 L 7.74 4.42 0.00 1.79 1.35 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 161 V 8.74 4.32 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 0.99 0.00 0.00 0.97 0.00 0.00 162 Y 8.62 4.92 0.00 2.90 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 0.00 163 S 8.94 4.11 0.00 3.16 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 0.00 164 D 8.18 4.60 0.00 2.62 2.46 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 0.00 0.00 0.00 0.00 165 F 8.42 4.48 0.00 2.99 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.11 4.19 0.00 4.10 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 *170 C 8.14 4.65 0.00 3.12 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 *171 K 8.07 4.17 0.00 1.57 1.71 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.56 7.81 * Residues marked with a * may have inaccurate shift predictions.