NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0781 8.0549 114.0573 60.9023 33.0245 174.5033 4 L 4.0708 8.0869 120.4835 52.6626 42.1671 171.9742 5 V 3.9827 7.9112 120.8909 59.8926 33.0083 174.9809 6 P 4.3932 0.0000 0.0000 62.2526 33.1841 174.3837 *8 V 3.8902 8.2727 118.2868 63.4325 32.9263 175.5276 9 V 4.7851 8.4800 128.0110 61.4049 33.1477 174.6222 10 E 4.5465 9.0145 131.3698 55.6805 30.5594 176.5518 11 Q 4.5939 8.6498 125.7769 55.8176 29.2306 172.0224 12 T 4.6628 9.6662 119.5179 60.3167 70.8596 175.4956 13 S 4.2006 8.8134 122.4809 61.2642 62.4938 176.9211 14 R 4.1920 8.2919 119.4281 57.4957 31.1090 177.7264 15 G 4.3078 6.9579 107.7585 45.7799 0.0000 172.0638 16 E 5.1727 8.5718 124.2828 55.5833 32.4390 175.1908 17 R 4.7994 8.9320 121.5697 54.9469 33.6965 173.6838 18 A 5.2098 8.2976 121.8107 50.3982 21.3729 175.2292 19 Y 4.8951 8.7538 120.1152 55.8125 41.4215 175.7719 20 D 4.7358 8.7195 122.3328 52.7495 40.8994 177.1373 21 I 3.5797 7.9616 119.7843 64.4195 37.7758 177.6828 22 Y 4.3235 7.6384 117.1393 61.2795 37.6361 178.5501 23 S 4.2914 8.9498 116.4609 61.3244 62.6802 176.7239 24 R 3.4232 7.7950 121.0282 59.2811 30.1676 178.3874 25 L 4.1457 8.1096 118.5696 57.2303 41.5681 179.0563 26 L 4.2577 8.0024 122.2031 57.4836 41.7771 178.7027 27 K 4.1255 7.6412 118.7513 59.0377 30.9514 177.3155 28 D 4.7729 7.9164 117.5223 53.2383 41.0032 176.7970 29 R 4.0642 8.3707 117.5906 57.2493 27.8323 175.2571 30 V 4.5278 7.0834 118.0236 61.2990 33.5549 174.4290 31 I 4.7872 8.8094 128.3622 59.5502 40.4364 174.3081 32 F 4.8595 8.9272 124.9605 56.0780 40.5962 175.4213 33 L 4.6481 9.1912 126.7052 53.3580 42.9392 175.2375 34 V 5.2238 7.3115 117.1003 59.3436 36.4368 176.8238 35 G 3.8369 8.6468 110.3385 44.5930 0.0000 172.1496 36 Q 4.2410 8.4671 117.7558 55.9780 29.4357 176.8103 37 V 3.9149 8.9400 125.3550 63.0012 32.4137 174.6308 38 E 5.0504 8.4854 125.0009 54.8052 32.9270 175.0391 39 D 4.4551 8.8847 118.4758 57.9672 41.1791 178.5860 40 H 4.0127 9.0728 114.8024 57.5988 29.7579 176.2260 *42 A 4.2874 8.0480 121.6829 52.4735 20.3505 179.2520 43 N 4.3271 8.1781 113.1698 56.4722 38.5089 177.6256 44 L 3.9842 7.8133 119.6635 57.7722 41.4551 179.5054 45 A 4.0487 7.8667 119.3483 55.0668 18.4753 179.3294 46 I 3.8226 7.8739 117.5024 64.4026 37.4515 177.9753 47 A 4.2686 8.3829 122.0580 55.3226 18.1562 180.8257 48 Q 4.3347 8.0204 114.4850 56.4083 28.6620 178.6819 *50 L 4.2802 7.9015 121.7991 54.9630 44.0023 178.9605 51 F 4.2588 8.7450 120.4424 61.6149 39.3100 177.1498 52 L 3.5441 8.0553 118.3641 57.5676 41.0970 179.3174 53 E 3.8219 7.9093 118.0765 59.1192 29.7714 178.0453 54 S 4.1893 7.8312 112.1160 61.5703 62.4528 175.8475 55 E 4.1892 7.5823 119.5848 57.9669 29.1030 177.2637 56 N 4.5495 7.8332 120.1200 52.1064 40.7383 172.7757 57 P 4.2785 0.0000 0.0000 64.0243 31.8459 176.4744 58 N 4.7530 8.5989 115.8747 53.4023 40.0228 175.0490 59 K 4.3856 7.3282 118.2436 55.2657 33.0756 176.8179 60 D 4.6629 8.7538 123.2984 55.3489 41.7495 175.9124 61 I 4.4216 8.4943 122.2858 59.8856 39.8323 174.3195 62 N 5.2144 9.5304 124.7045 51.5444 40.9921 173.5528 63 L 4.9146 9.1782 127.5069 53.7023 43.8683 174.4996 64 Y 5.0907 8.7692 126.0120 57.1039 39.7108 174.8164 65 I 4.8487 8.9461 125.6454 59.6880 40.3048 174.6359 66 N 5.0328 9.3627 125.8364 51.7492 40.1854 170.8604 67 S 5.1173 9.9633 116.7478 54.3248 65.5733 171.9318 68 P 4.6671 0.0000 0.0000 62.3502 32.0759 175.5457 69 G 3.7735 7.4874 106.6055 45.4060 0.0000 171.1534 70 G 4.0739 8.7147 104.5918 43.4498 0.0000 173.0825 71 A 4.3743 8.3602 122.2958 50.9742 19.3832 179.1694 72 V 3.6281 8.4438 122.6073 65.9518 31.9700 177.4185 73 T 4.0371 7.9587 109.1122 64.7016 67.3586 175.5974 74 S 4.3205 8.1312 117.7172 61.1938 63.4727 175.5732 75 A 4.3172 7.5969 124.8025 51.9496 17.7200 179.1124 *77 A 4.3387 8.0804 125.2386 53.4379 20.8746 180.0812 78 I 3.7559 7.2527 114.5808 64.5386 37.1933 177.4899 79 Y 4.2095 8.3779 119.5405 61.0768 38.8947 177.8587 80 D 4.5441 8.2488 119.0406 57.4157 40.9634 179.6385 81 T 4.1552 7.8457 115.4369 63.9443 68.3725 176.1892 *83 Q 4.1589 8.0941 121.7066 55.9219 30.9008 176.8388 84 F 4.4145 8.2500 119.4451 61.0223 39.6079 176.3955 85 V 3.6926 7.6146 112.6513 60.7009 32.0410 176.2941 86 K 3.9420 8.8846 125.3685 59.1010 32.2015 176.0182 87 P 4.4058 0.0000 0.0000 62.6019 32.1353 176.0689 88 D 4.4257 8.7371 122.6761 54.6431 42.4352 175.4724 89 V 4.6776 8.2702 122.6602 61.1524 33.4822 174.4292 90 R 4.7665 8.6987 130.2348 56.2433 31.4482 175.0432 91 T 5.1900 9.0104 116.5416 59.7802 71.8014 172.5188 92 L 5.0359 8.7680 127.1535 53.2806 45.4081 174.6608 93 C 4.9010 8.8575 127.7648 58.2857 31.5264 173.8708 94 I 3.5136 8.3306 121.5385 63.7083 37.4348 176.3943 95 G 4.0957 8.3472 107.8127 45.9091 0.0000 171.5350 96 Q 5.2132 9.2757 117.9260 53.0860 32.2307 174.3308 97 A 4.8935 9.1865 124.7235 49.6738 21.5083 175.7959 98 A 4.3074 8.7315 124.5397 51.6727 21.5118 176.8714 99 S 4.1152 8.5017 112.1830 62.0279 61.9596 176.5466 100 A 4.0255 7.9438 122.4127 55.2386 18.2403 179.6496 101 G 3.5612 8.0814 103.4934 47.8799 0.0000 175.4116 102 A 4.0270 8.8818 124.3271 54.8035 18.4425 179.5076 103 L 3.8424 7.7936 118.7520 58.4030 41.9924 179.3145 104 L 4.1224 7.5338 117.4079 57.4758 41.6800 178.8342 105 L 4.0761 8.3785 120.6038 58.3487 41.8687 179.0736 106 A 4.6898 7.6121 120.4310 53.8785 18.3712 178.7962 107 G 3.9325 7.6187 102.1475 44.3055 0.0000 173.9727 108 G 3.9842 7.1796 108.2367 45.3162 0.0000 173.8240 109 A 4.3296 9.0978 122.5955 51.3432 19.6488 177.3967 110 K 3.8610 8.7145 119.8918 58.4346 32.3315 177.6463 111 G 4.0118 9.4729 112.1528 45.6144 0.0000 173.3202 112 K 4.7920 8.1390 119.4402 56.2545 33.7546 175.6849 113 R 4.9620 7.9569 118.4970 54.8170 33.2509 175.1268 114 H 5.6426 9.4640 120.0140 54.1098 34.2875 171.5165 115 C 5.1814 7.9056 112.8369 57.1329 33.5097 172.9553 116 L 4.9450 8.2664 119.0167 52.8172 42.9594 176.7107 117 P 4.2323 0.0000 0.0000 65.2740 31.3347 177.4101 118 H 4.8843 7.8674 112.7239 55.3372 29.3044 174.2089 119 S 4.5610 7.8444 115.9958 58.9995 63.7269 173.8120 120 S 4.6561 9.0970 116.7862 56.7595 65.0203 173.4171 121 V 5.0034 8.3441 125.8402 60.1777 34.8525 174.0233 *123 I 4.2231 7.9913 115.2604 61.2361 38.8936 174.1329 124 H 5.2753 8.2898 118.2871 54.2669 31.6234 173.0258 125 Q 4.2910 8.7947 118.3792 55.9615 29.2071 176.7605 126 V 3.8126 8.3003 113.1728 61.5902 32.2325 175.9689 127 L 4.6732 8.0903 122.1319 53.7468 43.6849 176.1241 128 G 4.0985 7.2675 107.6769 46.2198 0.0000 172.6424 129 G 4.4068 7.9119 111.2846 45.8013 0.0000 171.5743 130 Y 4.7272 8.1573 122.5607 55.9152 42.1185 173.8497 131 Q 4.3811 7.2212 123.6898 52.9177 32.5311 175.4995 132 G 3.9317 8.1571 111.3156 45.6277 0.0000 172.3048 133 Q 4.3308 8.2536 120.1128 55.2886 30.7769 176.8149 134 G 3.9278 8.7659 110.2004 48.7760 0.0000 175.7664 135 T 3.8824 8.0566 118.0285 66.6681 68.4359 176.1496 136 D 4.3193 8.0725 119.8445 57.0476 40.8634 178.6650 137 I 3.7053 8.0212 120.7760 64.4556 37.1015 178.4010 138 Q 3.9573 8.3417 119.0694 59.0049 28.4137 178.8747 139 I 3.5909 7.5888 120.7292 64.8688 37.1801 178.2125 140 H 4.1301 8.1985 116.4478 58.1370 28.4385 177.7307 141 A 4.0103 8.2166 123.2671 55.0385 18.2208 179.7767 142 K 3.8688 7.9932 117.0478 59.6889 32.1417 179.4012 143 Q 3.9642 7.8381 119.8351 59.3839 28.8313 178.4400 144 T 3.8861 7.9611 116.9576 66.5132 68.4901 176.3353 145 Q 3.9230 8.2848 121.7058 59.2093 28.9446 178.5227 146 R 3.8610 7.9926 119.6362 59.4880 30.1826 178.7321 147 V 3.7404 7.9230 118.0900 65.8745 31.5464 177.9772 148 S 4.0819 8.3406 113.3312 61.3266 62.1641 175.8974 149 D 4.3030 8.1812 121.5414 57.4538 40.5944 178.4613 150 Q 3.9513 8.2778 118.9166 59.0178 28.7724 179.0873 151 L 3.8218 7.9022 120.8194 58.2979 42.0829 178.5280 152 N 4.2877 7.9476 116.0895 56.6924 38.4555 177.3910 153 Q 3.9874 8.4010 119.4947 59.0146 28.8192 178.9602 154 I 3.7084 7.8247 120.8510 64.2619 37.0803 178.5733 155 L 4.0010 8.0357 119.6479 57.5624 41.4933 179.2251 156 A 4.0519 8.3056 121.1364 55.0836 18.1153 179.2229 157 K 3.7150 8.0742 116.9819 60.3885 32.3325 178.2254 158 H 4.4966 8.1204 114.0247 57.7921 28.8988 177.0385 159 T 4.9424 7.5456 111.9526 61.1300 69.3403 176.0190 160 G 3.9001 8.0795 108.9660 44.9534 0.0000 173.5411 161 K 4.2643 7.3417 118.5787 55.1419 33.3908 177.0826 162 D 4.4760 8.2608 121.0672 54.1894 42.5152 177.6132 163 I 3.6760 8.4496 124.5333 64.9104 37.1552 178.5288 164 E 3.9519 8.0907 118.6209 59.2228 29.3379 179.0731 165 R 3.8301 7.8488 118.3173 59.6011 30.1891 178.6497 166 V 3.6814 7.9761 118.0081 65.8566 31.2788 177.6025 167 E 3.9277 8.3486 118.8967 58.9928 29.3147 178.4603 168 K 4.0656 8.0619 119.8617 59.5290 32.0710 178.6808 169 D 4.0104 7.8842 118.5306 56.7711 40.8627 177.8133 170 T 4.2875 7.7377 108.2304 61.7941 68.9168 175.9322 171 N 4.2805 7.6070 120.6277 55.6398 39.1440 174.2222 172 R 4.7328 7.1437 115.6185 53.4893 34.2119 174.3327 173 D 4.4617 8.6607 118.5281 55.6131 41.2594 176.2185 174 Y 4.6559 8.3850 124.1143 55.6781 40.4452 174.4618 175 F 4.5301 8.5726 125.1419 56.9118 39.8534 175.1768 176 L 4.8953 8.9059 122.9648 52.7267 44.9900 176.8490 177 T 4.0063 9.3681 114.1713 60.6966 69.8718 173.4609 178 P 4.1847 0.0000 0.0000 66.0402 31.2211 178.7329 179 E 3.9585 8.0870 116.4655 59.6367 29.5167 179.1682 180 E 4.0109 8.2919 118.2236 59.3355 29.4499 179.3667 181 A 4.1709 8.2213 121.2225 54.8060 18.4127 179.9038 182 V 3.8059 7.8347 118.2001 65.7603 31.4877 177.6830 183 E 3.9345 8.0789 117.6715 59.7680 29.4852 178.0117 184 Y 4.0912 8.4630 118.8248 58.7986 39.1897 176.6870 185 G 4.0529 8.1571 107.4860 45.3470 0.0000 175.0777 186 L 4.1914 8.4389 122.2862 56.3979 41.9415 176.7269 187 I 4.9619 7.3974 110.1254 59.3550 40.8092 174.7619 188 D 4.7550 8.5149 119.9544 55.5331 42.4294 176.8891 189 S 4.5440 7.4429 110.3588 57.7439 65.9906 174.2657 190 I 4.6519 8.2546 121.1676 59.6462 39.1192 175.1853 191 F 4.9919 8.3084 125.5174 56.0133 39.5418 175.9938 192 K 4.1088 9.1136 125.7261 58.9213 32.3776 176.4444 193 E 4.7705 7.6628 114.8185 53.7163 33.3794 175.3619 194 R 3.6330 8.4021 120.9066 55.7865 30.6139 174.8272 195 P 4.2876 0.0000 0.0000 63.0401 31.2317 176.0459 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 3 V 8.05 4.08 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 0.89 0.00 0.00 0.91 0.00 0.00 4 L 8.09 4.07 0.00 1.71 1.59 0.92 0.58 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 5 V 7.91 3.98 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 0.76 0.00 0.00 0.88 0.00 0.00 6 P 0.00 4.39 0.00 2.07 2.22 0.00 3.58 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 1.91 1.86 0.00 *8 V 8.27 3.89 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 0.94 0.00 0.00 0.91 0.00 0.00 9 V 8.48 4.79 2.10 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 0.90 0.00 0.00 0.94 0.00 0.00 10 E 9.01 4.55 0.00 2.12 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 2.29 0.00 11 Q 8.65 4.59 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.78 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 12 T 9.67 4.66 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 1.27 0.00 0.00 13 S 8.81 4.20 0.00 3.67 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 14 R 8.29 4.19 0.00 1.77 1.99 0.00 3.35 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 15 G 6.96 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 0.00 0.00 0.00 0.00 16 E 8.57 5.17 0.00 2.06 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 2.17 2.31 0.00 17 R 8.93 4.80 0.00 1.50 1.78 0.00 3.20 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 18 A 8.30 5.21 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.75 4.90 0.00 2.78 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 20 D 8.72 4.74 0.00 2.91 2.84 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 21 I 7.96 3.58 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.93 0.23 0.00 0.00 22 Y 7.64 4.32 0.00 3.24 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 23 S 8.95 4.29 0.00 4.09 4.11 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 24 R 7.79 3.42 0.00 1.62 2.06 0.00 2.96 0.00 0.00 2.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 25 L 8.11 4.15 0.00 1.90 1.83 1.09 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.00 4.26 0.00 2.07 1.93 1.11 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.64 4.13 0.00 1.70 1.80 0.00 1.50 0.00 0.00 1.43 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 28 D 7.92 4.77 0.00 2.83 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 29 R 8.37 4.06 0.00 1.95 1.98 0.00 3.05 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 30 V 7.08 4.53 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 0.38 0.00 0.00 0.62 0.00 0.00 31 I 8.81 4.79 1.85 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 1.28 0.63 0.93 0.00 0.00 32 F 8.93 4.86 0.00 2.58 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 33 L 9.19 4.65 0.00 1.71 1.56 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.31 5.22 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 1.39 0.00 0.00 0.97 0.00 0.00 35 G 8.65 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 36 Q 8.47 4.24 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 37 V 8.94 3.91 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 0.97 0.00 0.00 0.95 0.00 0.00 38 E 8.49 5.05 0.00 1.94 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 2.18 2.58 0.00 39 D 8.88 4.46 0.00 2.75 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 40 H 9.07 4.01 0.00 3.18 3.61 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *42 A 8.05 4.29 1.44 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 0.00 0.00 43 N 8.18 4.33 0.00 2.85 2.86 0.00 0.00 7.11 6.05 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 44 L 7.81 3.98 0.00 1.68 1.70 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.87 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.87 3.82 2.03 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 1.48 0.73 0.95 0.00 0.00 47 A 8.38 4.27 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 48 Q 8.02 4.33 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.34 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 *50 L 7.90 4.28 0.00 1.97 1.84 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.74 4.26 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 52 L 8.06 3.54 0.00 1.69 1.61 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.91 3.82 0.00 1.90 2.10 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 2.20 2.26 0.00 54 S 7.83 4.19 0.00 3.90 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 63 L 9.18 4.91 0.00 1.71 1.70 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.77 5.09 0.00 1.97 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.95 4.85 1.87 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 1.13 1.25 0.93 0.00 0.00 66 N 9.36 5.03 0.00 2.87 2.74 0.00 0.00 6.14 7.65 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 67 S 9.96 5.12 0.00 3.89 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.67 0.00 2.25 2.34 0.00 4.00 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 69 G 7.49 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 70 G 8.71 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 0.00 0.00 0.00 71 A 8.36 4.37 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 72 V 8.44 3.63 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 0.82 0.00 0.00 0.90 0.00 0.00 73 T 7.96 4.04 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 1.22 0.00 0.00 74 S 8.13 4.32 0.00 4.05 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 75 A 7.60 4.32 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 *77 A 8.08 4.34 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 78 I 7.25 3.76 2.04 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 1.43 0.61 0.94 0.00 0.00 79 Y 8.38 4.21 0.00 2.90 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.25 4.54 0.00 2.78 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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124 H 8.29 5.28 0.00 3.07 3.30 0.00 5.76 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 0.00 125 Q 8.79 4.29 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 126 V 8.30 3.81 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 0.71 0.00 0.00 0.93 0.00 0.00 127 L 8.09 4.67 0.00 1.63 1.57 0.89 0.76 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 0.00 128 G 7.27 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.91 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 0.00 0.00 0.00 0.00 130 Y 8.16 4.73 0.00 2.81 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 0.00 131 Q 7.22 4.38 0.00 1.81 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 132 G 8.16 3.93 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 0.00 0.00 0.00 133 Q 8.25 4.33 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 134 G 8.77 3.93 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 0.00 0.00 0.00 135 T 8.06 3.88 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 1.20 0.00 0.00 136 D 8.07 4.32 0.00 2.98 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 0.00 137 I 8.02 3.71 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.06 0.97 0.00 0.00 138 Q 8.34 3.96 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 139 I 7.59 3.59 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.70 0.00 0.00 140 H 8.20 4.13 0.00 2.80 3.23 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.22 4.01 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 0.00 142 K 7.99 3.87 0.00 1.93 1.84 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.64 7.81 143 Q 7.84 3.96 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 144 T 7.96 3.89 4.40 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 1.22 0.00 0.00 145 Q 8.28 3.92 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 146 R 7.99 3.86 0.00 1.91 2.04 0.00 3.13 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 147 V 7.92 3.74 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 0.93 0.00 0.00 0.96 0.00 0.00 148 S 8.34 4.08 0.00 3.94 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 0.00 149 D 8.18 4.30 0.00 2.88 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 0.00 150 Q 8.28 3.95 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 151 L 7.90 3.82 0.00 1.71 1.80 0.84 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 152 N 7.95 4.29 0.00 2.96 2.85 0.00 0.00 7.12 7.55 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 0.00 153 Q 8.40 3.99 0.00 2.19 2.13 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 2.37 2.38 0.00 154 I 7.82 3.71 1.76 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.81 0.33 0.00 0.00 155 L 8.04 4.00 0.00 1.72 1.78 0.90 0.48 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 0.00 156 A 8.31 4.05 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 0.00 157 K 8.07 3.72 0.00 1.81 2.09 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.47 7.81 158 H 8.12 4.50 0.00 3.25 3.49 0.00 5.70 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 0.00 159 T 7.55 4.94 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 1.49 0.00 0.00 160 G 8.08 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 7.34 4.26 0.00 1.67 1.58 0.00 1.31 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.12 0.82 7.81 162 D 8.26 4.48 0.00 2.64 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 0.00 163 I 8.45 3.68 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.67 0.89 0.00 0.00 164 E 8.09 3.95 0.00 2.03 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 2.38 2.41 0.00 165 R 7.85 3.83 0.00 1.87 2.10 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 1.58 1.70 0.00 166 V 7.98 3.68 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 1.01 0.00 0.00 1.00 0.00 0.00 167 E 8.35 3.93 0.00 2.03 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 2.30 2.29 0.00 168 K 8.06 4.07 0.00 1.85 1.90 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.44 7.81 169 D 7.88 4.01 0.00 2.50 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 0.00 0.00 0.00 170 T 7.74 4.29 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 1.18 0.00 0.00 171 N 7.61 4.28 0.00 2.72 2.87 0.00 0.00 6.88 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 0.00 172 R 7.14 4.73 0.00 1.81 1.81 0.00 3.31 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 173 D 8.66 4.46 0.00 2.57 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 0.00 174 Y 8.39 4.66 0.00 3.05 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 0.00 175 F 8.57 4.53 0.00 2.87 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 0.00 176 L 8.91 4.90 0.00 1.42 1.40 0.75 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 177 T 9.37 4.01 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 1.23 0.00 0.00 178 P 0.00 4.18 0.00 2.14 2.12 0.00 3.58 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 179 E 8.09 3.96 0.00 2.05 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 2.40 2.46 0.00 180 E 8.29 4.01 0.00 2.13 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 2.35 2.33 0.00 181 A 8.22 4.17 1.35 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 0.00 0.00 182 V 7.83 3.81 2.26 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 1.25 0.00 0.00 0.96 0.00 0.00 183 E 8.08 3.93 0.00 2.01 2.28 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 2.39 2.45 0.00 184 Y 8.46 4.09 0.00 3.19 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 0.00 185 G 8.16 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 0.00 0.00 0.00 186 L 8.44 4.19 0.00 1.91 1.74 0.81 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 187 I 7.40 4.96 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 0.86 0.00 0.00 188 D 8.51 4.76 0.00 2.50 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 0.00 189 S 7.44 4.54 0.00 3.80 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 0.00 190 I 8.25 4.65 1.84 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 1.28 0.58 0.90 0.00 0.00 191 F 8.31 4.99 0.00 2.90 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 0.00 192 K 9.11 4.11 0.00 1.72 1.87 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.54 7.81 193 E 7.66 4.77 0.00 1.91 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 2.20 2.27 0.00 194 R 8.40 3.63 0.00 1.67 1.77 0.00 3.22 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 195 P 0.00 4.29 0.00 1.85 1.80 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.38 0.00 * Residues marked with a * may have inaccurate shift predictions.