NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 Q 4.4003 8.3293 119.6894 56.1346 29.2578 174.0632 32 Q 4.3575 8.7181 120.8380 55.4698 30.7815 174.9612 33 C 5.0244 8.0949 114.1524 55.6503 44.1569 174.2362 34 G 4.0149 8.9277 107.5556 47.2130 0.0000 174.2552 35 Q 4.5915 8.7559 115.9293 55.7146 29.4804 177.1744 36 T 4.0999 7.9812 117.1640 66.4872 69.3107 176.5924 37 A 3.2887 7.8970 122.7400 54.8091 18.0484 177.6754 38 P 4.2164 0.0000 0.0000 65.7214 31.3149 178.8346 39 L 4.0546 7.9119 117.8593 57.5932 41.5589 179.5047 40 I 3.6855 7.5432 119.3442 64.2669 36.9056 177.5637 41 N 4.1721 8.1635 117.0007 56.8262 38.9848 176.0793 42 E 4.0264 8.1564 120.4659 59.1836 29.7903 178.5150 43 R 4.0895 8.1989 118.8072 59.7684 29.9507 178.5071 44 L 4.2004 7.7991 117.0383 57.1879 41.6533 179.0800 45 S 4.4548 7.5033 114.1828 59.5015 64.2838 174.4195 46 Y 4.2369 7.6656 123.6386 56.7220 36.6330 175.6850 *48 K 3.7930 7.7456 124.0198 56.3766 34.7094 177.1228 49 D 4.8517 8.3518 118.1239 57.6809 40.7189 178.9507 50 V 3.7097 7.8280 118.2095 65.8691 31.5296 177.7271 51 A 4.2889 8.3571 120.2890 55.5420 18.1752 179.7769 52 G 3.7736 9.1041 104.4320 47.8529 0.0000 175.2096 53 Y 4.1008 8.4939 122.0702 60.7614 38.7845 178.6853 54 K 3.7254 8.5093 119.0203 59.1175 32.2252 179.3082 55 A 4.0630 8.3599 121.1344 55.3815 18.2024 179.3434 56 E 3.8309 8.0749 115.8932 59.3858 29.6358 178.5948 57 N 4.4654 7.4737 112.6777 52.2290 39.1840 174.5509 58 H 4.1670 7.6734 116.3853 56.8050 27.0086 174.6373 59 L 4.6546 8.0513 118.0599 52.2144 43.2986 175.4828 60 P 4.5016 0.0000 0.0000 62.8693 31.9214 176.7336 61 I 3.6989 8.3486 121.3887 63.9459 37.2373 176.3012 62 E 4.2365 8.0026 120.9889 55.2330 30.2475 175.5443 63 D 4.6560 8.3537 124.4304 51.9149 43.3083 175.6460 64 R 4.0675 8.4557 126.8787 58.5941 30.2258 178.8581 65 I 3.6859 7.8109 119.6696 64.4824 37.2222 177.9201 66 Q 3.9915 8.1427 119.9071 59.2052 28.7618 178.1946 67 E 3.9911 8.2963 119.6432 59.5303 29.5166 179.2122 68 E 3.9974 8.4576 118.7563 59.0013 29.3617 179.3783 69 K 3.9180 8.0839 119.9428 59.4893 32.3314 179.0520 70 V 3.5745 7.9048 118.5248 66.0637 31.2089 178.1108 71 I 3.7515 7.9015 118.8362 64.5069 37.0487 177.8867 72 N 4.4982 8.3869 116.6127 56.3479 38.6713 177.4226 73 S 4.3144 8.4033 116.5914 61.2815 62.8579 177.6649 74 A 3.9375 7.9800 121.7741 52.3873 17.9962 179.0943 *76 A 4.3682 8.0440 125.9844 54.0332 20.9081 180.3282 77 Q 3.9433 8.5578 115.8956 58.5996 28.7080 178.4022 78 A 3.9645 8.0445 122.1051 55.4477 18.1362 179.1260 79 E 3.9081 8.3561 116.5367 60.0090 29.3092 179.9125 80 S 4.1553 7.8540 113.6400 61.0593 62.8001 175.4219 81 L 4.5167 7.9941 120.2501 54.1088 41.7821 177.2618 82 G 3.8775 7.7531 107.6724 46.0829 0.0000 173.4670 83 L 4.6480 7.8581 119.0176 52.6756 42.9660 176.2752 84 N 4.3901 8.8220 121.3724 53.4751 39.3345 175.8133 85 G 3.7462 8.9054 113.0520 48.0565 0.0000 174.9737 86 E 4.0325 8.2275 121.7622 58.5976 29.4673 178.5176 87 S 4.2195 8.1172 113.1375 60.5117 62.9062 175.6852 88 I 4.0614 7.5520 123.2090 62.8796 36.8874 177.7629 89 K 3.9477 7.5175 119.9431 59.1663 32.3023 176.6286 90 P 4.4533 0.0000 0.0000 65.1787 31.1251 178.6426 91 L 4.8506 7.4482 116.6250 54.9014 41.6058 178.7999 *93 V 3.9647 8.0342 117.7714 62.3977 33.3914 177.1700 94 A 4.0476 8.4889 121.7537 55.4018 18.1859 179.7002 95 Q 4.0204 8.4670 116.8609 59.1494 28.7006 178.9830 96 I 3.7681 7.7642 120.3920 64.4071 37.1219 178.0202 97 N 4.3599 8.6569 117.5319 56.2473 38.3921 177.2972 98 A 3.9882 8.1341 121.8942 55.0521 18.6252 179.4684 99 A 3.9534 8.1229 119.2221 55.4111 18.4582 179.9705 100 K 3.7733 8.4146 117.0504 59.4620 32.0308 179.4334 101 A 4.1849 8.3471 121.1376 55.3052 18.3003 179.5914 102 I 3.8312 7.6257 119.6025 64.0732 37.1548 178.7644 103 Q 4.0529 7.9131 118.3366 59.2356 28.5410 178.2318 104 Y 4.3019 8.2042 118.1469 61.2069 37.8095 179.1191 105 R 3.7691 8.2432 118.9563 59.3563 30.1075 178.5053 106 Y 3.2246 7.5472 116.4781 60.8936 37.5092 179.0286 107 R 4.0464 7.9753 117.5105 59.2457 30.5959 178.4796 108 A 4.1574 8.0591 120.3843 55.5497 18.3748 179.3697 109 D 4.2810 8.0458 117.1888 57.4101 40.6898 179.2087 110 W 4.8254 8.1457 118.1897 59.2774 29.0597 178.2159 111 L 4.2734 7.9030 118.7995 56.9800 41.1632 177.9185 112 S 4.7491 8.1019 110.2957 58.3412 65.1029 174.2368 113 Q 4.6051 8.2024 120.4791 53.3091 28.6581 173.8613 114 P 4.5639 0.0000 0.0000 62.9163 32.1723 177.0315 115 E 3.8780 8.0539 117.5770 56.8640 27.6216 173.1494 116 P 4.4754 0.0000 0.0000 63.7354 32.2825 175.9485 117 G 3.9875 8.5538 106.6262 46.0615 0.0000 172.4851 118 W 4.7044 8.1499 128.4872 55.4484 31.8380 175.6177 119 Q 3.9056 7.2494 123.6783 52.6283 31.4320 173.6099 120 P 3.8664 0.0000 0.0000 62.0766 31.9711 176.4035 121 K 4.1444 8.8705 120.1541 55.3808 32.8660 176.0273 122 P 4.3228 0.0000 0.0000 62.2981 32.8564 177.2198 123 L 3.6751 8.4657 124.0634 58.4572 42.0669 178.7350 124 D 4.3093 7.9906 117.1841 57.4457 41.0580 177.9366 125 D 4.2490 7.8938 118.7554 57.2925 40.8717 178.6718 126 V 3.3899 7.5826 118.6127 66.1547 31.4768 178.3298 127 R 3.7923 8.3806 117.8688 58.8992 29.7267 179.0048 128 A 3.8755 7.7945 120.4699 55.1659 18.3819 179.2046 129 N 4.0462 7.8275 114.9785 56.6104 38.4547 177.7164 130 I 3.6991 7.7326 121.3674 64.2168 37.1618 178.8268 131 G 3.5062 8.2319 106.8526 47.6103 0.0000 175.1510 132 E 3.9112 8.4197 122.3243 59.2967 29.5963 179.1278 133 L 4.0532 8.1037 118.8507 57.6588 41.6869 179.2279 134 S 4.1600 8.3203 113.3757 61.6881 62.1944 176.4576 135 T 3.8354 7.9110 118.2388 66.7315 68.1830 176.6100 136 K 4.0557 8.0846 120.2747 59.7505 31.9631 179.4450 137 I 3.7706 8.3182 120.3054 64.4051 36.9671 178.5461 138 L 4.0569 7.9906 119.8387 57.5476 41.3828 179.1202 139 E 3.9558 8.3797 118.7917 59.5661 29.4358 179.1472 140 Q 3.9938 8.3242 119.4339 59.4493 29.1663 178.4790 141 I 3.7899 8.1371 120.6467 64.2431 37.2055 178.2206 142 A 3.9833 8.2578 121.6805 55.3320 18.3409 179.5055 143 E 3.9343 8.4115 117.1780 59.7814 29.4324 179.6267 144 E 4.1534 8.4783 118.5905 59.2852 29.2427 179.4425 145 L 4.0139 7.8479 118.5365 57.5791 41.7895 179.2235 146 K 4.2437 7.9378 116.8463 58.9117 32.0443 176.5559 147 T 4.4316 7.5220 105.3140 62.2490 71.3095 173.7758 148 C 4.4815 8.0508 121.7657 55.9898 36.4601 174.3745 149 K 4.3728 9.8821 121.8499 55.6827 32.1993 177.0709 150 P 4.3302 0.0000 0.0000 65.1800 31.4073 177.8154 151 A 4.2882 7.9149 119.5414 53.9408 18.7446 176.9361 152 E 4.3188 7.7497 115.2249 56.6637 29.8426 176.7833 *154 G 3.8410 8.0214 107.0336 45.5307 0.0000 173.9982 155 D 4.9145 8.3340 124.2151 51.5762 42.7511 177.1522 156 K 2.4800 8.1168 118.9362 59.3849 31.8381 178.0081 157 A 3.9030 7.9260 120.0598 55.3623 18.4395 178.7433 158 H 3.9959 8.1631 116.1543 59.4300 29.8614 177.0468 159 F 3.7418 8.0934 118.9893 60.7385 38.5671 177.3895 160 I 3.6644 7.5099 117.7416 64.9464 37.0524 177.8499 161 N 4.4717 8.0311 115.2706 55.7418 38.4831 177.0980 162 T 4.3026 7.3021 115.9465 64.3354 69.7604 175.1746 163 I 4.2134 7.5756 123.0458 59.6308 35.8887 173.8522 164 R 4.5905 8.3934 122.2845 54.1444 32.9370 175.5219 165 Q 4.5656 8.2320 120.5712 53.9615 32.9880 173.8384 166 H 4.0503 8.6479 120.8933 57.9801 29.9959 174.8618 167 N 4.1432 8.6176 121.5668 53.2604 35.5312 172.9624 168 L 4.7784 7.3937 118.9490 53.0508 44.7182 176.5620 169 T 4.5382 8.5028 116.0732 59.9416 72.3906 175.8848 170 S 4.1151 8.4014 116.1367 61.7153 62.8960 176.7970 171 A 3.9576 7.9589 122.9467 55.1499 18.0339 179.0610 172 D 4.3595 7.9351 117.0878 57.7239 41.0018 179.4278 173 V 3.7988 7.6635 118.0600 65.9158 31.4913 177.7014 174 E 4.0658 9.0048 118.6811 59.7165 29.2249 179.3811 175 A 4.0479 8.0693 120.0906 55.1176 18.3213 179.7943 176 I 3.8226 7.5161 117.3082 64.3610 37.2317 178.4467 177 F 3.8629 8.2260 121.7732 61.1223 39.0350 177.4824 178 S 3.9369 8.1825 113.2238 61.6207 63.0956 176.2522 179 T 4.0208 7.8317 113.2452 64.0708 68.5619 176.2849 180 F 4.1437 8.3377 123.7409 61.5825 39.1259 176.8523 181 N 4.0717 7.5600 113.0884 55.0053 38.3200 176.2976 182 Q 4.2410 7.7623 118.6058 55.3743 29.6566 175.9275 183 V 4.0152 6.7680 121.5224 62.6473 32.0957 175.3472 184 K 4.7291 8.7190 125.8839 54.8041 36.4182 175.7101 185 L 4.5902 8.5070 120.5240 53.9653 42.7198 177.5344 186 K 3.9644 8.3053 120.0694 57.3940 34.3918 174.8383 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 Q 8.33 4.40 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 32 Q 8.72 4.36 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 33 C 8.09 5.02 0.00 2.97 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 34 G 8.93 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 0.00 0.00 0.00 35 Q 8.76 4.59 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.82 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 36 T 7.98 4.10 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 1.38 0.00 0.00 37 A 7.90 3.29 0.50 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 38 P 0.00 4.22 0.00 2.13 2.07 0.00 3.53 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 39 L 7.91 4.05 0.00 1.88 1.72 1.03 0.90 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 40 I 7.54 3.69 1.84 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 1.56 0.82 0.90 0.00 0.00 41 N 8.16 4.17 0.00 2.60 2.98 0.00 0.00 7.24 7.60 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 42 E 8.16 4.03 0.00 2.25 2.11 0.00 0.00 0.00 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 2.32 0.00 43 R 8.20 4.09 0.00 2.10 2.12 0.00 3.19 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 44 L 7.80 4.20 0.00 1.86 1.75 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.50 4.45 0.00 3.81 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 46 Y 7.67 4.24 0.00 3.31 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 3.79 0.00 1.21 1.58 0.00 1.04 0.00 0.00 0.80 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.53 0.21 7.81 49 D 8.35 4.85 0.00 3.15 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 50 V 7.83 3.71 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.02 0.00 0.00 51 A 8.36 4.29 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 52 G 9.10 3.77 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 0.00 0.00 0.00 53 Y 8.49 4.10 0.00 3.10 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 54 K 8.51 3.73 0.00 2.12 2.05 0.00 1.96 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.92 7.81 55 A 8.36 4.06 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 56 E 8.07 3.83 0.00 1.95 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 2.23 2.38 0.00 57 N 7.47 4.47 0.00 2.30 2.62 0.00 0.00 7.12 9.28 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 58 H 7.67 4.17 0.00 3.30 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.05 4.65 0.00 1.53 1.60 0.73 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.50 0.00 2.39 2.11 0.00 3.80 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 2.03 2.03 0.00 61 I 8.35 3.70 1.16 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.17 0.25 0.00 0.00 62 E 8.00 4.24 0.00 2.04 1.94 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 2.31 2.54 0.00 63 D 8.35 4.66 0.00 2.72 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 64 R 8.46 4.07 0.00 1.92 1.98 0.00 3.21 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 65 I 7.81 3.69 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 1.54 0.83 0.92 0.00 0.00 66 Q 8.14 3.99 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 67 E 8.30 3.99 0.00 2.21 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 2.35 2.56 0.00 68 E 8.46 4.00 0.00 1.98 2.01 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 2.61 2.47 0.00 69 K 8.08 3.92 0.00 1.84 2.03 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 70 V 7.90 3.57 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 0.99 0.00 0.00 0.99 0.00 0.00 71 I 7.90 3.75 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 1.54 0.80 0.92 0.00 0.00 72 N 8.39 4.50 0.00 2.73 2.88 0.00 0.00 7.12 7.31 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 73 S 8.40 4.31 0.00 3.93 3.91 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 74 A 7.98 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *76 A 8.04 4.37 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 77 Q 8.56 3.94 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 78 A 8.04 3.96 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 79 E 8.36 3.91 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 80 S 7.85 4.16 0.00 4.00 4.13 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 81 L 7.99 4.52 0.00 1.63 1.75 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.75 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 0.00 0.00 0.00 83 L 7.86 4.65 0.00 1.72 1.59 0.96 0.83 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 84 N 8.82 4.39 0.00 2.63 2.82 0.00 0.00 7.11 7.53 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 85 G 8.91 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 86 E 8.23 4.03 0.00 2.08 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 2.37 2.42 0.00 87 S 8.12 4.22 0.00 4.24 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 88 I 7.55 4.06 2.02 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 1.40 1.38 0.93 0.00 0.00 89 K 7.52 3.95 0.00 1.76 1.84 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 90 P 0.00 4.45 0.00 2.19 2.09 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 91 L 7.45 4.85 0.00 1.76 1.87 1.05 0.95 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 *93 V 8.03 3.96 2.24 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 1.02 0.00 0.00 0.96 0.00 0.00 94 A 8.49 4.05 1.48 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 0.00 0.00 95 Q 8.47 4.02 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 96 I 7.76 3.77 2.03 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 1.66 0.75 0.94 0.00 0.00 97 N 8.66 4.36 0.00 2.96 2.92 0.00 0.00 6.91 6.76 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 98 A 8.13 3.99 1.42 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 0.00 0.00 99 A 8.12 3.95 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 0.00 100 K 8.41 3.77 0.00 1.99 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.70 7.81 101 A 8.35 4.18 1.42 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 0.00 0.00 102 I 7.63 3.83 2.10 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 1.64 1.33 1.11 0.00 0.00 103 Q 7.91 4.05 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 104 Y 8.20 4.30 0.00 3.22 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 0.00 105 R 8.24 3.77 0.00 1.84 1.81 0.00 3.26 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 106 Y 7.55 3.22 0.00 2.63 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 0.00 107 R 7.98 4.05 0.00 2.03 2.13 0.00 3.67 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 108 A 8.06 4.16 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 0.00 109 D 8.05 4.28 0.00 2.50 2.59 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 0.00 110 W 8.15 4.83 0.00 3.52 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 0.00 111 L 7.90 4.27 0.00 1.79 1.80 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.10 4.75 0.00 3.98 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 0.00 113 Q 8.20 4.61 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 114 P 0.00 4.56 0.00 2.19 2.23 0.00 3.99 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 2.03 2.04 0.00 115 E 8.05 3.88 0.00 2.21 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 2.39 2.52 0.00 116 P 0.00 4.48 0.00 2.17 2.05 0.00 3.96 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 2.01 1.98 0.00 117 G 8.55 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 0.00 118 W 8.15 4.70 0.00 3.24 3.22 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 0.00 119 Q 7.25 3.91 0.00 1.66 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 120 P 0.00 3.87 0.00 2.11 2.06 0.00 3.21 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 121 K 8.87 4.14 0.00 1.77 1.79 0.00 1.87 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.41 7.81 122 P 0.00 4.32 0.00 2.11 1.94 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 123 L 8.47 3.68 0.00 1.30 1.37 0.46 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.99 4.31 0.00 2.76 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 0.00 125 D 7.89 4.25 0.00 2.93 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 0.00 126 V 7.58 3.39 2.15 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 1.20 0.00 0.00 1.00 0.00 0.00 127 R 8.38 3.79 0.00 1.83 1.88 0.00 3.04 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 128 A 7.79 3.88 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 0.00 129 N 7.83 4.05 0.00 2.29 1.82 0.00 0.00 7.09 7.13 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 0.00 130 I 7.73 3.70 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 1.48 0.48 0.90 0.00 0.00 131 G 8.23 3.51 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 0.00 0.00 0.00 132 E 8.42 3.91 0.00 2.20 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 0.00 2.30 2.35 0.00 133 L 8.10 4.05 0.00 1.98 1.73 1.06 0.77 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 0.00 134 S 8.32 4.16 0.00 3.89 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.91 3.84 4.41 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 1.22 0.00 0.00 136 K 8.08 4.06 0.00 1.98 1.90 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 137 I 8.32 3.77 2.08 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 1.56 0.74 1.02 0.00 0.00 138 L 7.99 4.06 0.00 1.88 1.73 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.38 3.96 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 140 Q 8.32 3.99 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.63 0.00 141 I 8.14 3.79 2.06 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.11 0.86 0.00 0.00 142 A 8.26 3.98 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 0.00 143 E 8.41 3.93 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 144 E 8.48 4.15 0.00 2.09 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 0.00 2.55 2.74 0.00 145 L 7.85 4.01 0.00 1.86 1.70 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 146 K 7.94 4.24 0.00 1.93 1.87 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.53 7.81 147 T 7.52 4.43 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 1.31 0.00 0.00 148 C 8.05 4.48 0.00 2.96 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 0.00 149 K 9.88 4.37 0.00 1.79 1.82 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.57 7.81 150 P 0.00 4.33 0.00 2.05 2.10 0.00 3.68 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 2.01 2.06 0.00 151 A 7.91 4.29 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 0.00 152 E 7.75 4.32 0.00 2.16 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 2.34 2.27 0.00 *154 G 8.02 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 D 8.33 4.91 0.00 2.91 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 0.00 156 K 8.12 2.48 0.00 1.58 1.66 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.25 7.81 157 A 7.93 3.90 1.34 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 0.00 158 H 8.16 4.00 0.00 3.29 3.57 0.00 5.89 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 0.00 159 F 8.09 3.74 0.00 2.93 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 0.00 160 I 7.51 3.66 1.97 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 1.64 0.69 0.88 0.00 0.00 161 N 8.03 4.47 0.00 2.61 2.80 0.00 0.00 7.08 6.92 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 0.00 162 T 7.30 4.30 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 1.05 0.00 0.00 163 I 7.58 4.21 1.79 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.16 0.86 0.00 0.00 164 R 8.39 4.59 0.00 1.68 1.77 0.00 3.10 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 165 Q 8.23 4.57 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.07 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 166 H 8.65 4.05 0.00 3.04 3.25 0.00 5.99 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 N 8.62 4.14 0.00 2.52 2.61 0.00 0.00 6.53 6.74 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 0.00 168 L 7.39 4.78 0.00 1.66 1.54 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 169 T 8.50 4.54 4.22 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 1.17 0.00 0.00 170 S 8.40 4.12 0.00 3.88 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 0.00 171 A 7.96 3.96 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 0.00 172 D 7.94 4.36 0.00 2.90 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 0.00 173 V 7.66 3.80 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.02 0.00 0.00 174 E 9.00 4.07 0.00 2.06 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 0.00 2.36 2.51 0.00 175 A 8.07 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 I 7.52 3.82 2.25 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 1.51 0.74 1.18 0.00 0.00 177 F 8.23 3.86 0.00 2.92 3.14 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 0.00 178 S 8.18 3.94 0.00 4.02 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 0.00 179 T 7.83 4.02 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 1.33 0.00 0.00 180 F 8.34 4.14 0.00 3.22 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 0.00 181 N 7.56 4.07 0.00 2.64 2.60 0.00 0.00 7.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Q 7.76 4.24 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 183 V 6.77 4.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.04 0.00 0.00 184 K 8.72 4.73 0.00 1.77 1.76 0.00 1.33 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.36 7.81 185 L 8.51 4.59 0.00 1.53 1.62 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 186 K 8.31 3.96 0.00 1.82 1.76 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.23 1.09 7.81 * Residues marked with a * may have inaccurate shift predictions.