NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 D 4.8078 8.3493 119.5486 52.2647 43.3857 175.0386 12 P 4.7624 0.0000 0.0000 60.9391 30.6584 173.6774 13 D 4.6135 8.9339 116.8402 54.4302 42.0247 178.1164 14 V 3.5434 7.5366 117.7418 65.5934 31.6616 177.5068 15 A 3.9393 7.5587 121.1312 55.4279 18.1614 179.0357 16 Y 4.2819 7.1193 115.0441 61.2326 37.9711 178.5266 17 Q 3.9903 8.1960 119.9234 59.4152 29.2641 178.5399 18 V 3.6611 7.6951 118.7789 66.0399 31.2958 177.9368 19 I 3.1473 7.3604 118.3464 64.4512 36.9886 178.0803 20 E 4.1243 8.0893 117.8428 59.0632 29.3536 178.6084 21 E 4.4199 8.2418 116.9142 57.0124 31.1871 176.3091 22 N 5.2810 7.9832 115.1128 51.9254 39.1081 174.5969 23 S 4.7337 8.0920 113.9177 60.6290 65.2104 175.6971 24 F 4.9385 8.5189 123.1658 57.9215 37.7722 174.5013 25 A 4.2331 8.5366 127.1617 50.8338 21.0261 175.6859 26 T 4.5893 8.1750 115.6970 61.8775 70.8758 174.0501 27 L 4.8140 8.8597 129.4909 53.5525 43.9611 174.8077 28 V 5.0283 8.5975 127.7576 61.7075 34.1630 172.7151 29 S 4.6599 9.1974 122.8607 58.8486 68.5762 176.0516 *31 H 4.7259 9.2774 118.6596 56.9553 30.5765 171.9471 32 Q 3.2878 9.5688 127.5661 57.2034 26.7182 174.7572 33 R 3.9619 8.1655 110.7335 56.6248 27.7976 176.0650 34 E 4.7451 7.9711 117.3731 53.8038 32.7033 175.4250 35 L 4.3688 8.3955 124.4109 54.9714 42.5607 176.3963 36 F 4.7351 8.9319 123.9843 56.5610 43.1197 172.9610 37 A 5.3128 8.0633 125.9683 50.5428 22.1860 175.1650 38 T 4.7205 8.7629 117.0146 62.0584 72.5960 172.6613 39 H 5.0418 8.4117 121.6375 53.9813 30.5793 174.2960 40 L 4.5483 6.7443 121.1717 54.3596 43.8210 171.6911 41 P 5.1772 0.0000 0.0000 62.9686 32.4217 175.4352 42 L 5.0276 9.0223 122.6098 53.1258 44.7748 175.8214 43 L 4.8738 8.8603 123.9813 52.7793 44.5865 175.8816 44 L 4.7943 8.4152 122.8938 54.3956 42.5042 176.7458 45 D 4.5001 9.3024 123.8238 52.9056 40.5174 177.3614 46 R 3.7970 8.5940 119.3934 59.6109 29.9907 177.3297 47 E 4.0553 8.1293 115.1214 56.5055 29.8004 177.3120 48 K 4.0110 8.0443 117.6462 57.5043 30.2830 176.1679 49 T 4.5593 7.4851 110.4223 62.8886 70.4772 173.5713 50 C 5.1267 8.8340 116.5091 57.4243 34.0381 172.4633 51 L 5.4002 8.6770 118.6423 53.2598 44.1840 175.5794 52 Y 4.6475 9.4010 121.6185 56.7116 40.9742 175.4456 53 G 4.2512 7.2987 108.1534 46.2426 0.0000 170.9665 54 H 5.3672 8.1258 113.4874 54.5466 31.3433 173.4431 55 F 5.0776 9.1301 120.0272 56.0630 41.8165 174.7807 56 A 4.6308 8.7092 121.5117 51.8685 19.1492 178.8187 57 R 4.3440 8.8837 120.9697 59.5791 30.2467 178.7912 58 S 4.2009 8.4818 111.6856 60.0817 63.1862 173.4423 59 N 4.6237 8.0526 121.0656 52.1396 38.5610 173.3602 60 P 3.8086 0.0000 0.0000 63.6683 31.3661 177.5774 61 Q 2.9399 7.2553 120.4102 58.6144 28.8552 178.0512 62 W 3.9152 7.0254 117.1815 59.0446 27.9359 177.5745 63 N 3.7183 6.5161 117.1698 55.3806 38.2510 175.0491 64 D 4.8122 7.4238 119.2473 52.8975 39.9066 176.8383 65 I 3.9425 7.5891 120.6810 63.5769 38.4563 175.7149 66 Q 4.1748 7.7510 118.2135 56.8808 29.3644 174.9999 67 H 4.2704 8.9549 114.0727 56.4334 26.0049 174.6355 68 Q 4.6450 7.6039 115.3232 54.9048 31.8039 174.6772 69 T 4.4595 8.5457 117.6684 63.4592 69.0838 175.0623 70 V 4.2142 8.5955 121.2554 60.1394 34.5216 174.9124 71 L 4.7552 8.7005 122.2865 53.4565 44.7739 174.7543 72 A 4.9650 9.0935 128.8761 50.2213 21.5814 174.9552 73 I 4.9400 8.2958 123.9408 59.5148 40.0280 174.6589 74 F 4.8274 9.2489 126.2389 55.9958 41.3191 174.3769 75 H 4.9454 9.0033 121.6523 54.7274 29.4821 175.9909 76 G 4.2067 8.5941 113.6993 45.1697 0.0000 170.9693 77 P 4.9471 0.0000 0.0000 63.1834 32.9541 174.9199 78 H 6.3000 8.5817 114.8372 53.7089 32.3761 171.6357 79 C 4.9502 8.4504 111.8342 57.7306 31.7820 172.4839 80 Y 2.8009 7.6840 121.2475 57.2177 38.8285 174.8684 81 I 3.8492 7.1311 126.5214 59.2166 40.1243 174.3548 82 S 3.9100 5.8100 122.1575 55.5662 63.1378 172.9972 83 P 3.2241 0.0000 0.0000 64.0900 31.1369 177.6289 84 S 4.2958 7.2868 113.2240 59.4650 63.2768 174.9967 85 W 4.6013 7.2631 120.4933 58.2506 29.1283 176.0437 86 Y 4.8412 7.0719 115.7275 56.6495 38.5372 176.0971 87 E 4.3412 8.7720 119.7780 58.2789 29.2331 177.3114 88 T 4.8073 7.6444 107.6910 59.4086 71.9372 174.7853 89 N 4.5496 8.8544 120.1305 56.4376 38.9177 176.1691 90 Q 4.3402 7.2489 118.7105 53.6842 27.1908 174.5460 91 A 4.7258 7.5210 121.1678 50.8800 22.5295 176.0402 92 V 4.4142 8.1710 119.6910 59.9228 33.7625 173.9725 93 P 4.2958 0.0000 0.0000 63.7655 32.1542 174.7753 94 T 4.6179 7.6553 113.0616 61.5897 71.5339 171.6182 95 W 5.1330 9.0277 123.6405 54.9343 31.9874 175.0706 96 N 5.4059 9.0689 121.2619 52.1807 40.5884 173.6561 97 Y 6.0129 8.1631 119.5182 57.0635 42.4344 173.2710 98 V 4.7639 8.5046 117.6317 61.4963 35.4559 173.6166 99 A 5.2408 9.1601 126.9192 51.0065 23.3112 175.1835 100 V 4.8083 8.6737 120.2473 61.4701 34.7506 173.8878 101 H 5.3973 9.5491 125.5714 54.1850 31.1092 173.7002 102 V 4.8790 9.5022 124.6183 61.4023 33.8343 173.7843 103 Y 5.3923 8.4779 125.8925 56.0345 40.7581 175.3832 104 G 5.0324 8.3990 107.8233 47.0654 0.0000 171.3662 105 N 5.5497 8.3134 116.4701 51.2652 40.1451 174.1794 106 V 4.7437 8.2377 120.0343 62.1549 33.2202 174.7853 107 E 4.7735 8.9950 126.4277 54.3506 32.2585 175.5460 108 L 4.6012 8.7547 124.7397 54.7764 42.8361 176.4499 109 I 4.5311 8.2437 122.9353 59.9635 38.6852 175.2786 110 N 4.7718 8.8921 123.3825 52.8618 40.7633 174.7413 111 D 4.3630 8.1090 118.3199 54.9250 41.4439 177.1790 112 Q 4.1518 8.7087 124.9657 58.1869 29.3359 178.3070 113 G 3.7058 8.1775 104.3396 47.6024 0.0000 175.3661 114 E 4.1419 8.3229 120.9821 59.0424 29.5234 179.4356 115 V 3.4345 7.4834 116.1297 64.4498 31.9826 176.9653 *117 Q 4.1645 7.9652 119.3518 55.9823 30.4125 177.3788 118 S 4.0615 7.9056 111.2735 60.9210 63.0675 176.0521 119 L 4.1392 7.8248 122.4688 57.6428 41.6300 178.3089 120 H 4.2487 8.1509 117.7776 59.3634 29.3071 178.3390 121 D 4.4077 7.9043 118.2276 54.7056 40.7226 178.7043 *123 V 4.1342 7.7453 120.5970 63.0998 33.1296 177.3158 124 E 4.1223 7.9500 117.5977 59.1543 29.5022 178.5299 125 K 3.9542 7.5054 118.5948 58.6034 32.2903 177.0304 126 Y 4.8713 7.5150 113.9477 58.6054 39.6075 176.1597 127 E 4.1631 8.5745 119.1963 55.9217 29.9544 176.6584 128 A 4.2641 8.6237 125.1247 51.4911 19.3516 177.2117 129 P 4.2458 0.0000 0.0000 65.3625 31.6129 177.4647 130 G 4.0591 7.8539 104.1649 45.1170 0.0000 173.0537 131 S 4.3284 9.0318 115.6360 57.9724 62.7908 174.1861 132 R 4.4221 8.4722 124.9570 56.1781 30.3066 175.8462 133 Y 4.3982 8.0623 120.8571 57.6162 39.3817 174.2465 134 Q 4.3110 7.0279 121.5483 56.4345 35.0297 174.8132 135 L 4.1381 6.8705 115.1237 54.9805 41.9544 173.5057 *143 L 4.3362 8.6284 123.1493 55.0314 43.8874 177.7858 144 S 4.3479 7.9664 112.1864 60.1236 63.7916 175.8464 145 G 3.8530 7.8591 111.9748 45.5989 0.0000 175.1856 *147 N 4.6039 8.3471 119.3987 53.1780 40.7722 176.1538 148 K 4.2160 8.6692 116.6768 59.3349 32.4654 178.5616 149 G 3.7871 8.1722 107.4758 46.9811 0.0000 173.0047 150 I 5.0040 7.0283 112.2144 59.1182 40.9683 175.9866 151 Q 4.3387 8.9632 123.3626 53.5084 30.2869 174.3055 152 A 4.7490 8.3488 127.1282 52.2663 20.4117 175.4344 153 F 5.4090 8.0754 113.0985 56.2840 41.8018 172.8847 154 K 4.6703 9.1502 117.8951 55.0815 36.3739 175.5744 155 I 4.8382 8.5835 123.2256 59.5104 39.1526 175.1030 156 I 4.1497 8.3351 129.6809 61.3575 37.9911 175.7523 157 I 4.2754 8.3302 128.9214 61.3807 37.2535 175.4771 158 K 4.6074 9.8001 127.6469 57.7250 33.5757 176.8291 159 R 4.8586 7.8639 114.1645 54.8321 33.2540 173.5683 160 I 5.1918 8.3597 119.9635 59.6917 40.6811 174.6790 161 E 4.7058 9.4513 125.9810 54.4614 32.7495 175.0149 162 G 4.4633 8.8277 111.3039 44.3013 0.0000 172.5378 163 K 4.7237 9.2222 122.4828 54.1803 35.7207 175.9525 164 A 4.6532 7.9511 124.4798 49.4490 18.8748 174.2135 165 K 3.8680 7.2861 121.5198 55.4500 33.6442 177.0725 166 L 4.9004 8.8156 127.8033 54.4925 43.5698 177.6562 167 S 4.0574 8.5273 111.9645 59.4743 60.2899 173.4059 168 Q 4.2122 7.5162 116.9002 57.5472 28.2374 176.6263 169 N 4.3639 7.8709 116.9161 55.6889 39.3604 174.3587 170 H 4.7233 7.7033 114.7410 53.8904 30.4816 173.6527 171 P 4.3798 0.0000 0.0000 62.1656 33.2497 177.4836 172 A 4.0126 8.4960 122.0623 55.6373 18.1310 180.0849 173 H 4.1681 7.7357 113.1613 58.9964 28.8624 177.6191 174 R 3.9028 8.2095 121.4088 59.1189 29.7895 178.2409 175 Q 4.0375 7.9476 117.3638 59.0599 28.6159 178.6721 176 E 3.9998 8.0720 119.1737 59.2017 29.4520 179.6288 177 R 3.9051 8.0391 118.2126 59.3285 30.1220 178.9280 178 I 3.8057 7.8131 119.5048 64.5591 37.0993 178.4136 179 I 3.6349 7.8442 120.3125 64.4158 36.7672 178.3676 180 K 3.7753 7.9528 118.0392 59.6987 32.2202 178.8617 181 Q 3.7413 7.8087 119.3538 59.0627 28.6564 178.1500 182 L 3.8536 7.5485 119.3276 57.4266 41.7060 178.9154 183 E 4.2479 8.1728 116.5294 57.6027 30.8329 177.5653 184 Q 4.1663 7.0584 119.7651 53.7271 27.8601 173.5384 *186 P 4.1698 0.0000 0.0000 61.9732 32.7949 177.8949 187 F 4.8870 7.3759 117.2457 55.2357 44.7360 175.0425 188 E 4.0235 9.0041 122.6497 59.7790 29.4416 179.4738 189 N 4.3500 8.2400 115.6436 56.4288 38.6663 176.8542 190 E 4.0127 8.3713 119.3233 59.7144 29.5631 179.6428 191 K 3.9975 8.0112 117.7093 59.4735 32.1295 179.7584 192 R 3.9396 8.5270 118.7197 59.4524 29.8331 179.0795 193 I 3.7666 8.1030 118.4405 64.4877 37.1257 178.0524 194 A 4.1591 8.0067 120.9624 55.1988 18.2581 179.6028 195 S 4.3041 8.0889 113.1688 61.3997 62.9614 176.7532 196 L 4.1459 7.6892 118.2839 55.5202 40.7152 178.9031 *198 K 4.2455 7.8671 119.5489 56.4189 33.9088 176.0743 199 K 4.1556 7.6172 121.0216 56.7200 31.8416 176.7738 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 11 D 8.35 4.81 0.00 2.71 2.65 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 12 P 0.00 4.76 0.00 2.20 1.50 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 13 D 8.93 4.61 0.00 2.82 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.54 3.54 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 0.99 0.00 0.00 0.93 0.00 0.00 15 A 7.56 3.94 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 16 Y 7.12 4.28 0.00 2.89 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 17 Q 8.20 3.99 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 18 V 7.70 3.66 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 1.09 0.00 0.00 1.03 0.00 0.00 19 I 7.36 3.15 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.47 0.10 0.00 0.00 20 E 8.09 4.12 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 2.31 2.62 0.00 21 E 8.24 4.42 0.00 2.02 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 2.50 0.00 22 N 7.98 5.28 0.00 3.01 3.03 0.00 0.00 7.00 7.18 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 23 S 8.09 4.73 0.00 4.20 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 24 F 8.52 4.94 0.00 3.01 3.13 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 25 A 8.54 4.23 0.29 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 26 T 8.18 4.59 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 1.00 0.00 0.00 27 L 8.86 4.81 0.00 1.67 1.57 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.60 5.03 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 0.97 0.00 0.00 0.86 0.00 0.00 29 S 9.20 4.66 0.00 4.00 3.31 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 0.00 *31 H 9.28 4.73 0.00 2.83 3.19 0.00 6.05 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 9.57 3.29 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.14 0.00 0.00 0.00 0.00 0.00 2.12 1.87 0.00 33 R 8.17 3.96 0.00 1.94 2.05 0.00 3.12 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 34 E 7.97 4.75 0.00 1.88 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 35 L 8.40 4.37 0.00 1.67 1.60 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.93 4.74 0.00 3.19 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 37 A 8.06 5.31 1.06 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 0.00 0.00 38 T 8.76 4.72 4.60 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 1.41 0.00 0.00 39 H 8.41 5.04 0.00 3.04 2.87 0.00 5.76 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 6.74 4.55 0.00 1.67 1.67 0.79 0.64 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 41 P 0.00 5.18 0.00 2.35 2.43 0.00 3.47 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 2.15 2.32 0.00 42 L 9.02 5.03 0.00 1.81 1.82 0.90 1.06 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 43 L 8.86 4.87 0.00 1.59 1.53 0.75 0.58 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 44 L 8.42 4.79 0.00 1.47 1.52 0.81 1.10 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 45 D 9.30 4.50 0.00 2.72 3.15 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 46 R 8.59 3.80 0.00 1.73 1.96 0.00 3.19 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 1.56 1.60 0.00 47 E 8.13 4.06 0.00 2.03 1.95 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 2.37 2.26 0.00 48 K 8.04 4.01 0.00 1.41 1.10 0.00 0.89 0.00 0.00 0.95 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.03 1.24 7.81 49 T 7.49 4.56 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 1.28 0.00 0.00 50 C 8.83 5.13 0.00 3.01 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 51 L 8.68 5.40 0.00 1.66 1.68 1.18 0.86 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 52 Y 9.40 4.65 0.00 2.80 2.75 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 53 G 7.30 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 0.00 0.00 0.00 0.00 54 H 8.13 5.37 0.00 3.15 3.16 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 9.13 5.08 0.00 3.24 3.11 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 0.00 0.00 0.00 56 A 8.71 4.63 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 57 R 8.88 4.34 0.00 1.84 2.23 0.00 2.82 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 58 S 8.48 4.20 0.00 4.04 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 59 N 8.05 4.62 0.00 2.85 3.18 0.00 0.00 7.18 7.72 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 60 P 0.00 3.81 0.00 1.89 2.00 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 61 Q 7.26 2.94 0.00 0.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 62 W 7.03 3.92 0.00 3.54 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 63 N 6.52 3.72 0.00 2.37 2.58 0.00 0.00 6.75 7.66 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 64 D 7.42 4.81 0.00 2.69 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 65 I 7.59 3.94 1.96 0.00 0.00 0.83 0.00 0.00 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0.00 0.00 0.91 0.48 0.70 0.00 0.00 74 F 9.25 4.83 0.00 3.08 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 75 H 9.00 4.95 0.00 3.13 3.40 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.59 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 0.00 0.00 0.00 0.00 77 P 0.00 4.95 0.00 2.23 2.27 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 78 H 8.58 6.30 0.00 3.65 3.58 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 C 8.45 4.95 0.00 3.16 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 80 Y 7.68 2.80 0.00 1.56 2.34 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 81 I 7.13 3.85 1.65 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.45 0.88 0.00 0.00 82 S 5.81 3.91 0.00 3.23 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 83 P 0.00 3.22 0.00 2.02 2.02 0.00 3.39 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 84 S 7.29 4.30 0.00 3.99 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 85 W 7.26 4.60 0.00 3.38 3.10 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 0.00 86 Y 7.07 4.84 0.00 3.04 2.74 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 87 E 8.77 4.34 0.00 1.96 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 2.31 2.38 0.00 88 T 7.64 4.81 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 1.24 0.00 0.00 89 N 8.85 4.55 0.00 2.75 2.94 0.00 0.00 6.97 7.69 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 90 Q 7.25 4.34 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 91 A 7.52 4.73 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.17 4.41 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 0.94 0.00 0.00 0.98 0.00 0.00 93 P 0.00 4.30 0.00 2.28 2.09 0.00 3.87 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 94 T 7.66 4.62 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 95 W 9.03 5.13 0.00 3.29 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 96 N 9.07 5.41 0.00 2.82 2.81 0.00 0.00 6.43 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 97 Y 8.16 6.01 0.00 3.18 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 98 V 8.50 4.76 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 1.04 0.00 0.00 0.95 0.00 0.00 99 A 9.16 5.24 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.67 4.81 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 1.08 0.00 0.00 1.00 0.00 0.00 101 H 9.55 5.40 0.00 3.11 2.99 0.00 5.64 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 9.50 4.88 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 1.10 0.00 0.00 1.06 0.00 0.00 103 Y 8.48 5.39 0.00 2.97 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 0.00 104 G 8.40 5.03 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 0.00 0.00 0.00 105 N 8.31 5.55 0.00 2.78 2.96 0.00 0.00 5.55 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 0.00 106 V 8.24 4.74 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 0.85 0.00 0.00 0.90 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 7.03 4.31 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 135 L 6.87 4.14 0.00 1.63 1.50 0.85 0.55 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 *143 L 8.63 4.34 0.00 1.67 1.79 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 144 S 7.97 4.35 0.00 4.05 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 0.00 145 G 7.86 3.85 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 0.00 *147 N 8.35 4.60 0.00 2.83 3.00 0.00 0.00 7.06 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 K 8.67 4.22 0.00 1.75 1.88 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.40 7.81 149 G 8.17 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 0.00 150 I 7.03 5.00 2.10 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.76 0.98 0.00 0.00 151 Q 8.96 4.34 0.00 1.61 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 1.46 2.30 0.00 152 A 8.35 4.75 1.31 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 0.00 0.00 0.00 153 F 8.08 5.41 0.00 3.30 3.19 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 0.00 154 K 9.15 4.67 0.00 1.12 0.74 0.00 1.04 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.15 1.26 7.81 155 I 8.58 4.84 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.28 0.99 0.00 0.00 156 I 8.34 4.15 1.89 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 1.22 0.64 0.93 0.00 0.00 157 I 8.33 4.28 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.70 1.01 0.00 0.00 158 K 9.80 4.61 0.00 1.79 1.89 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.41 7.81 159 R 7.86 4.86 0.00 1.89 1.99 0.00 2.82 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 160 I 8.36 5.19 1.84 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 1.41 0.74 0.86 0.00 0.00 161 E 9.45 4.71 0.00 2.04 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 2.27 2.31 0.00 162 G 8.83 4.46 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 0.00 163 K 9.22 4.72 0.00 1.72 1.60 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.43 1.41 7.81 164 A 7.95 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 K 7.29 3.87 0.00 1.50 1.54 0.00 2.00 0.00 0.00 1.90 0.00 0.00 3.21 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.46 7.81 166 L 8.82 4.90 0.00 1.66 1.56 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 167 S 8.53 4.06 0.00 4.11 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 0.00 168 Q 7.52 4.21 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 169 N 7.87 4.36 0.00 2.62 2.65 0.00 0.00 7.04 7.89 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 0.00 170 H 7.70 4.72 0.00 3.24 3.08 0.00 5.71 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.38 0.00 1.80 1.80 0.00 3.57 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 172 A 8.50 4.01 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 0.00 173 H 7.74 4.17 0.00 3.39 3.59 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.21 3.90 0.00 1.82 1.98 0.00 2.40 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.30 0.00 175 Q 7.95 4.04 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 176 E 8.07 4.00 0.00 2.20 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 2.33 2.60 0.00 177 R 8.04 3.91 0.00 2.15 2.11 0.00 3.35 0.00 0.00 3.56 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 178 I 7.81 3.81 2.11 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.16 1.13 0.00 0.00 179 I 7.84 3.63 1.99 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 1.52 0.77 0.89 0.00 0.00 180 K 7.95 3.78 0.00 1.83 1.81 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.59 7.81 181 Q 7.81 3.74 0.00 1.55 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 182 L 7.55 3.85 0.00 1.55 1.79 1.03 1.24 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 0.00 183 E 8.17 4.25 0.00 2.09 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 0.00 2.55 2.30 0.00 184 Q 7.06 4.17 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.15 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 *186 P 0.00 4.17 0.00 1.86 1.99 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.84 0.00 187 F 7.38 4.89 0.00 3.21 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 0.00 188 E 9.00 4.02 0.00 2.08 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 2.45 2.45 0.00 189 N 8.24 4.35 0.00 2.79 3.24 0.00 0.00 7.03 7.66 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 0.00 190 E 8.37 4.01 0.00 2.34 2.25 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 2.51 2.57 0.00 191 K 8.01 4.00 0.00 2.01 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.65 7.81 192 R 8.53 3.94 0.00 1.87 2.03 0.00 3.19 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 193 I 8.10 3.77 2.18 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.86 0.98 0.00 0.00 194 A 8.01 4.16 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 0.00 195 S 8.09 4.30 0.00 4.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 L 7.69 4.15 0.00 1.92 1.69 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 *198 K 7.87 4.25 0.00 1.92 1.91 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.55 7.81 199 K 7.62 4.16 0.00 1.88 1.73 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.57 7.81 * Residues marked with a * may have inaccurate shift predictions.