NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.2754 8.0544 114.0987 61.3561 33.7809 175.4185 5 N 4.8756 8.0218 114.7406 54.7098 43.2950 174.6763 6 L 4.0948 8.8946 117.7356 57.7335 42.8645 178.0297 7 S 4.4137 8.0620 113.1064 60.3900 63.9722 174.0132 8 Y 4.9141 7.5957 116.9435 55.3926 37.9322 174.0599 9 P 4.5715 0.0000 0.0000 64.2317 32.1250 178.2474 10 I 4.4304 7.8313 110.5309 60.1423 38.0221 176.9514 11 G 3.9335 8.0479 110.6342 45.4925 0.0000 172.8654 12 E 4.3408 8.2656 117.4331 53.9767 32.5716 174.8956 13 Y 3.8084 6.3605 120.9725 57.0643 39.2743 174.0654 14 K 4.0013 7.4269 128.0695 53.5839 33.0788 174.0640 15 P 4.4636 0.0000 0.0000 62.5773 31.9740 176.0030 16 R 4.7540 8.4631 119.1645 53.9358 33.3925 176.0688 17 E 4.1483 8.8612 118.5543 58.9426 29.7893 177.7776 18 S 4.7075 7.7555 113.2135 56.3577 66.7075 173.0739 19 I 4.4846 8.3445 124.6981 59.0455 39.9789 176.3363 20 S 4.3838 8.1587 119.6559 57.4630 65.3652 175.1362 21 K 3.7715 8.4440 123.3071 59.9182 31.8740 178.8124 22 E 3.8964 7.9662 118.2012 59.3441 29.3725 178.9528 23 Q 3.5452 7.9736 119.6124 58.8075 28.9302 178.3596 24 K 3.8988 7.8421 119.4825 59.6149 32.0833 179.0200 25 D 4.3480 8.0744 119.0627 57.1753 40.6276 178.8085 26 K 3.9281 7.9628 120.0970 59.4207 32.1427 178.9538 27 W 4.4921 8.3241 119.3693 59.7970 28.9047 178.6201 28 I 3.6804 8.2461 120.1836 64.2961 36.4389 178.1168 29 Q 3.9454 8.0622 120.3568 59.3273 29.0415 178.6143 30 V 3.6463 8.1324 119.4129 66.0036 31.3541 177.7381 31 L 3.9512 8.0098 119.3359 58.0426 41.9249 178.2714 32 E 4.1027 8.0486 118.6515 58.7512 29.7530 177.8202 33 E 4.3328 7.8869 117.3999 56.9011 29.9419 178.2257 34 V 3.6320 7.5673 119.0680 65.9024 31.4292 176.0641 35 P 4.1921 0.0000 0.0000 65.5229 31.0732 178.4484 36 A 3.9854 7.8119 119.7032 54.9544 18.0611 179.8583 37 K 3.8985 7.9728 116.6227 59.4366 32.2952 179.0828 38 L 3.9419 7.9863 120.5858 58.0225 41.9715 178.8734 39 K 3.8785 8.2166 119.6619 59.4855 31.8893 178.1120 40 Q 3.9350 8.0525 118.6604 59.5962 28.9498 178.5156 41 A 4.1611 7.6102 119.9606 54.6404 18.4838 179.2065 42 V 4.0370 7.5709 109.4256 62.7070 32.0516 177.9366 43 E 3.9870 8.3773 119.2142 58.5363 30.5518 177.8799 44 V 3.9048 6.9305 113.9851 60.3818 30.7100 175.3278 *46 T 4.0514 7.2330 111.5579 61.3151 71.5799 174.2625 47 D 4.3054 8.3506 120.9864 57.6059 40.5677 179.2737 48 S 4.1254 7.8623 113.2533 61.5406 63.2463 176.1982 49 Q 3.7779 7.6470 121.1401 58.5567 28.2648 178.5200 50 L 4.1113 8.1045 120.2514 57.1728 41.2814 178.2229 51 D 5.0777 7.5911 116.6831 54.3804 41.1036 175.7332 52 T 4.5834 7.7937 117.7389 61.6659 70.2203 172.7769 53 P 4.7367 0.0000 0.0000 63.4170 31.9532 176.9104 54 Y 4.3950 9.0083 122.3871 59.3231 38.8971 175.3285 55 R 4.3923 6.8380 113.1386 54.3614 32.6440 173.5229 56 D 4.3979 8.2930 118.3769 55.7578 41.2098 176.3765 57 G 3.7991 8.9781 114.6878 45.2716 0.0000 172.8564 58 G 3.5522 7.2247 106.7570 43.8931 0.0000 173.9424 59 W 5.1077 8.3408 119.4266 56.8246 30.5185 176.4641 60 T 4.8816 9.2531 112.9357 60.9500 69.6031 175.7672 61 V 3.6902 8.6886 121.2928 66.1069 31.5186 177.9413 62 R 3.8345 8.2635 118.5531 59.6697 29.8755 178.5098 63 Q 3.8927 8.1850 117.7320 58.8927 28.6193 179.0078 64 V 3.6107 8.0347 119.3028 65.8936 31.4087 178.2683 65 V 3.5081 7.7758 117.8912 66.4841 31.4165 177.8589 66 H 4.2785 7.9482 115.7843 58.8609 28.4663 177.2710 67 H 4.1321 8.4368 120.6164 59.1890 29.6254 177.2240 68 L 3.8946 8.0736 120.5489 57.6696 41.2202 179.3879 69 A 3.9640 7.4857 119.2692 55.3440 18.4623 179.0777 70 D 4.5067 7.9656 115.9343 57.5506 41.1762 178.7293 71 S 4.3532 8.4857 115.1645 60.9753 62.5187 176.0127 72 H 4.5052 8.3831 118.8403 56.1729 29.1058 177.4310 *74 N 4.4686 8.1545 119.4149 53.4115 40.6482 177.1049 75 S 3.8185 7.8108 112.2010 61.2713 62.2598 175.4710 76 Y 3.0831 7.2131 122.2100 60.4468 38.3180 178.1827 77 I 3.5417 7.5260 120.1009 64.4705 37.2226 178.4748 78 R 3.6007 7.7237 118.7871 58.9755 29.8242 179.1179 79 F 3.8743 8.3918 117.8650 60.5637 38.5689 177.9352 80 K 3.9436 7.7890 117.9561 59.0961 31.8405 179.4077 81 L 3.9959 8.0701 119.7598 58.0831 41.3477 179.8457 82 S 4.2157 7.9270 113.6752 61.3107 62.8029 176.2316 83 L 4.2652 7.7411 120.3740 56.1046 41.6414 177.4834 84 T 4.5502 7.2732 105.0930 61.0618 69.8746 173.4881 85 E 4.6577 7.9429 120.4634 54.6283 33.4033 175.2102 86 E 4.1939 8.7434 120.6108 56.2425 29.6635 177.1569 87 T 3.9761 8.7491 120.4585 62.6572 65.9110 170.6576 88 P 4.5690 0.0000 0.0000 62.6142 33.3770 176.9519 89 A 4.9491 8.6205 124.4169 51.9310 19.1406 177.6089 90 I 4.0829 8.5023 117.4410 60.0542 39.8829 175.3687 91 R 4.3805 8.1612 122.2579 53.7832 30.0683 173.9007 92 P 4.5253 0.0000 0.0000 62.7669 31.8725 175.4407 93 Y 4.8289 7.7888 116.9289 54.6393 41.0915 174.3682 94 D 4.6784 8.4404 121.0848 52.8844 40.5664 176.4317 95 E 4.0209 7.9660 125.1509 58.9608 29.6030 179.2129 96 K 4.4400 8.2874 118.7393 59.4437 32.0521 179.0020 97 A 4.1630 8.1779 119.5264 55.0254 18.5023 179.3049 98 W 4.3649 8.8524 117.6135 60.2072 28.9743 178.7759 99 S 4.0937 8.1324 113.3433 60.4943 62.3168 175.5014 100 E 4.3287 7.7190 119.3563 55.7861 30.3517 176.7294 101 L 4.0766 7.2208 120.8441 54.3927 42.6173 177.7682 102 K 3.7837 8.9251 123.4184 60.0682 31.8819 178.4249 103 D 4.2692 7.9944 117.3686 57.5899 40.9406 178.3331 104 S 4.0349 7.7571 114.1664 60.9896 62.8754 176.0795 105 K 4.2967 7.6286 119.4438 57.5999 32.1511 177.5507 106 T 4.4808 7.6198 105.9587 61.1878 70.6567 174.4145 107 A 4.0566 7.8901 124.9917 51.6332 18.8962 176.7114 108 D 4.4765 8.4871 121.0170 53.7937 41.9371 175.6764 109 P 4.3370 0.0000 0.0000 64.8746 31.2510 178.9605 110 S 4.1943 8.5732 114.2812 61.5994 62.6127 176.8702 111 G 3.6206 8.0545 109.0470 47.5346 0.0000 175.6796 112 S 4.1644 8.0275 117.1425 61.1219 62.9290 176.5371 113 L 3.9558 8.2225 121.8294 57.7937 41.4021 179.4957 114 A 3.9996 8.1540 120.7265 54.8087 18.2232 179.4187 115 L 3.8366 8.2148 119.2382 58.3461 42.1399 179.1261 116 L 3.9988 8.2742 119.3211 57.7941 41.5241 179.2025 117 Q 3.9516 8.0623 119.3530 59.5410 29.0348 178.5445 118 E 4.0230 8.1333 119.3330 58.9480 29.4445 179.1640 119 L 3.7420 8.2524 120.9128 58.5446 42.1488 178.7308 120 H 4.5572 8.8623 116.7238 58.6863 28.5608 177.9438 121 G 3.6987 8.0779 107.6214 48.1595 0.0000 176.0351 122 R 4.0416 8.1021 121.2299 58.2632 29.9906 179.0687 123 W 4.5666 8.7601 129.0182 60.9194 30.8173 178.2736 124 T 3.8534 8.4639 109.8890 64.4714 67.9443 176.4093 125 A 4.0130 7.8729 123.0423 54.8961 18.7779 178.8208 126 L 4.0995 8.1896 118.8728 58.5938 42.2846 179.2728 127 L 4.0453 8.1064 118.7271 57.9210 41.3519 179.6185 128 R 4.2281 8.0745 116.8422 58.5524 30.1296 178.3783 129 T 4.1443 7.6297 108.4372 62.4347 69.4925 174.9327 130 L 4.1908 7.1662 122.2566 54.4038 42.6302 177.4879 131 T 4.3766 8.1842 113.1149 61.1956 71.0516 175.5112 132 D 4.5827 8.6602 121.3911 57.7439 41.1526 178.6261 133 Q 4.1631 8.0974 119.5946 59.2910 29.2862 178.0951 134 Q 4.0627 8.2027 119.1650 58.8564 28.8313 178.5644 135 F 4.3744 8.3419 118.3898 59.7107 38.7346 176.8767 136 K 4.4268 7.7042 115.7789 56.2959 32.6933 177.2834 137 R 4.1846 7.3953 119.3178 56.2982 31.4531 175.7460 138 G 4.7445 8.5769 107.7336 44.4653 0.0000 170.7661 139 F 5.4830 8.5866 113.8497 55.2960 42.2305 172.8124 140 Y 5.3406 9.2320 120.2269 56.1425 41.6480 173.6381 141 H 4.8084 8.6287 127.2471 53.9338 30.4442 174.0437 142 P 3.9081 0.0000 0.0000 65.3107 31.6793 177.6433 143 D 4.5115 8.1213 118.5129 57.1939 41.1193 177.8071 144 T 3.9647 7.7929 106.5299 62.2717 69.2895 175.4013 145 K 4.0473 8.0123 120.0970 56.9793 30.2095 175.2504 146 E 4.5741 7.6240 118.6270 55.5757 31.2087 175.2259 147 I 4.9754 8.3004 123.5992 59.6538 39.5063 174.8763 148 I 4.5970 8.1050 126.3178 59.2178 41.3853 174.9677 149 T 4.6907 8.3185 118.3057 60.7173 70.2782 175.6386 150 L 3.8997 8.7291 123.3477 57.8514 41.6314 179.8152 151 E 4.2525 8.5286 117.5506 59.7043 29.4740 179.0642 152 N 4.6132 8.2294 116.9491 55.8955 38.5893 177.2699 153 A 4.1589 8.5988 122.8749 54.8940 18.4876 179.2873 154 L 4.0738 8.6891 119.3689 58.4855 42.2449 179.5016 155 G 2.0000 7.2980 106.2798 46.3291 0.0000 175.2868 156 L 2.9934 7.1744 122.8481 57.7064 42.0512 178.4836 157 Y 3.9809 8.0466 116.0773 59.9144 37.9701 178.0868 158 V 3.3861 7.4541 119.7846 65.5078 31.5554 177.7168 159 W 4.0965 7.9552 128.0599 60.7988 30.5691 177.3248 160 H 3.3636 8.6008 118.3670 59.0353 29.2633 177.2548 161 S 4.0696 8.0775 116.8426 62.1645 62.6691 176.5286 162 H 4.2212 7.9394 118.6682 58.8818 28.4044 177.3980 163 H 3.7102 7.9310 120.4209 59.6031 29.4379 177.1349 164 H 3.8951 7.6125 117.6392 58.2630 28.4165 177.8953 165 I 3.6375 7.7356 121.7454 64.3108 36.8417 178.2455 166 A 3.9960 8.0571 123.1790 54.7225 17.9753 179.2730 167 H 4.0293 7.6942 114.7695 59.1218 28.8037 178.1015 168 I 3.8463 7.4720 121.6175 64.6721 36.5930 178.6904 169 T 3.9877 8.1827 110.9451 64.7869 68.5824 176.5012 170 E 3.9569 8.5402 121.8170 58.9860 29.1975 179.0826 171 L 3.8120 7.4601 119.7537 58.2619 42.5091 178.9260 172 S 3.9476 7.9413 114.8558 61.2808 62.5038 176.7416 173 R 3.8791 7.6578 120.5780 59.3501 29.9523 180.1847 174 R 4.0736 7.6359 114.3966 56.3456 29.9796 177.2907 *176 G 3.7773 7.9202 105.5181 45.0537 0.0000 173.9727 177 W 4.8209 7.8300 119.7908 56.1280 29.9335 176.8976 178 S 4.2970 8.4141 113.2109 58.8004 62.6308 173.8877 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 4 V 8.05 4.28 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 0.88 0.00 0.00 0.99 0.00 0.00 5 N 8.02 4.88 0.00 2.79 2.75 0.00 0.00 7.24 5.78 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 6 L 8.89 4.09 0.00 1.68 1.71 0.90 0.86 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 7 S 8.06 4.41 0.00 3.91 3.63 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 8 Y 7.60 4.91 0.00 3.17 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 9 P 0.00 4.57 0.00 2.19 2.23 0.00 3.40 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 10 I 7.83 4.43 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.98 0.93 0.00 0.00 11 G 8.05 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 12 E 8.27 4.34 0.00 1.68 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 1.82 2.05 0.00 13 Y 6.36 3.81 0.00 2.27 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 0.00 0.00 0.00 0.00 14 K 7.43 4.00 0.00 1.49 1.40 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.12 1.24 7.81 15 P 0.00 4.46 0.00 2.03 2.03 0.00 3.48 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.15 0.00 16 R 8.46 4.75 0.00 1.81 1.80 0.00 3.19 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 17 E 8.86 4.15 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 18 S 7.76 4.71 0.00 3.81 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.34 4.48 1.90 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.72 0.77 0.00 0.00 20 S 8.16 4.38 0.00 4.06 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 21 K 8.44 3.77 0.00 1.85 1.81 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.58 7.81 22 E 7.97 3.90 0.00 1.99 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 2.35 2.38 0.00 23 Q 7.97 3.55 0.00 1.78 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 1.36 1.16 0.00 24 K 7.84 3.90 0.00 1.82 1.60 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.99 1.31 7.81 25 D 8.07 4.35 0.00 2.82 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 26 K 7.96 3.93 0.00 1.85 1.67 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.59 7.81 27 W 8.32 4.49 0.00 3.62 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.25 3.68 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.97 0.94 0.00 0.00 29 Q 8.06 3.95 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 30 V 8.13 3.65 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 1.02 0.00 0.00 1.09 0.00 0.00 31 L 8.01 3.95 0.00 1.60 1.64 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.05 4.10 0.00 2.04 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 0.00 2.34 2.38 0.00 33 E 7.89 4.33 0.00 1.99 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 2.61 2.47 0.00 34 V 7.57 3.63 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 0.99 0.00 0.00 0.98 0.00 0.00 35 P 0.00 4.19 0.00 2.36 2.03 0.00 3.70 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 2.04 1.87 0.00 36 A 7.81 3.99 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 37 K 7.97 3.90 0.00 1.98 1.88 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.51 7.81 38 L 7.99 3.94 0.00 1.74 1.81 0.89 0.09 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 39 K 8.22 3.88 0.00 1.91 1.96 0.00 1.70 0.00 0.00 1.57 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.44 7.81 40 Q 8.05 3.93 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 41 A 7.61 4.16 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 42 V 7.57 4.04 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 0.85 0.00 0.00 1.00 0.00 0.00 43 E 8.38 3.99 0.00 2.14 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 2.32 2.35 0.00 44 V 6.93 3.90 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 0.76 0.00 0.00 1.00 0.00 0.00 *46 T 7.23 4.05 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 1.09 0.00 0.00 47 D 8.35 4.31 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.86 4.13 0.00 3.99 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 49 Q 7.65 3.78 0.00 1.85 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.54 0.00 50 L 8.10 4.11 0.00 1.81 1.71 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.59 5.08 0.00 2.78 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 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0.00 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 61 V 8.69 3.69 2.32 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 1.08 0.00 0.00 1.17 0.00 0.00 62 R 8.26 3.83 0.00 2.05 1.93 0.00 3.24 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 63 Q 8.18 3.89 0.00 2.31 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 64 V 8.03 3.61 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 0.95 0.00 0.00 1.17 0.00 0.00 65 V 7.78 3.51 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.92 0.00 0.00 66 H 7.95 4.28 0.00 3.18 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.44 4.13 0.00 2.82 3.42 0.00 5.79 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 68 L 8.07 3.89 0.00 1.85 1.59 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 87 T 8.75 3.98 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 88 P 0.00 4.57 0.00 2.14 2.35 0.00 3.97 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 89 A 8.62 4.95 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 90 I 8.50 4.08 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.86 0.65 0.00 0.00 91 R 8.16 4.38 0.00 1.76 1.90 0.00 3.33 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 92 P 0.00 4.53 0.00 2.08 1.96 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.85 0.00 93 Y 7.79 4.83 0.00 2.63 2.76 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 0.00 0.00 0.00 94 D 8.44 4.68 0.00 2.83 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.03 4.16 0.00 4.00 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 0.00 113 L 8.22 3.96 0.00 1.82 1.70 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.15 4.00 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 0.00 115 L 8.21 3.84 0.00 1.79 1.81 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.27 4.00 0.00 1.89 1.66 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.06 3.95 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 118 E 8.13 4.02 0.00 2.01 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 2.51 2.43 0.00 119 L 8.25 3.74 0.00 1.66 1.87 0.29 0.92 0.00 0.00 0.00 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1.74 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.07 4.23 0.00 1.98 2.05 0.00 3.20 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 129 T 7.63 4.14 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 1.28 0.00 0.00 130 L 7.17 4.19 0.00 1.45 1.29 0.37 0.61 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 0.00 131 T 8.18 4.38 4.29 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 1.24 0.00 0.00 132 D 8.66 4.58 0.00 2.72 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 0.00 133 Q 8.10 4.16 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 134 Q 8.20 4.06 0.00 2.27 2.04 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 2.36 2.40 0.00 135 F 8.34 4.37 0.00 3.35 3.25 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 0.00 136 K 7.70 4.43 0.00 1.94 1.90 0.00 1.77 0.00 0.00 1.93 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.71 1.67 7.81 137 R 7.40 4.18 0.00 1.90 1.86 0.00 3.06 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 138 G 8.58 4.74 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 0.00 0.00 0.00 139 F 8.59 5.48 0.00 3.15 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 0.00 140 Y 9.23 5.34 0.00 3.05 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 H 8.63 4.81 0.00 3.24 3.02 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 3.91 0.00 2.18 2.18 0.00 3.45 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 1.88 2.03 0.00 143 D 8.12 4.51 0.00 2.77 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 0.00 144 T 7.79 3.96 4.17 0.00 0.00 0.00 0.00 0.00 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 0.00 145 K 8.01 4.05 0.00 2.01 2.16 0.00 1.85 0.00 0.00 1.87 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.59 7.81 146 E 7.62 4.57 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 147 I 8.30 4.98 1.90 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 1.42 0.73 0.89 0.00 0.00 148 I 8.10 4.60 1.63 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 1.15 1.64 -0.15 0.00 0.00 149 T 8.32 4.69 4.30 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 1.26 0.00 0.00 150 L 8.73 3.90 0.00 1.97 1.81 0.88 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.53 4.25 0.00 2.34 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 0.00 2.66 2.48 0.00 152 N 8.23 4.61 0.00 2.95 3.06 0.00 0.00 6.88 7.52 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 0.00 153 A 8.60 4.16 1.65 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 0.00 0.00 154 L 8.69 4.07 0.00 2.14 2.14 0.76 1.56 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 0.00 155 G 7.30 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 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.17 2.99 0.00 1.23 1.67 0.69 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 157 Y 8.05 3.98 0.00 3.11 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 0.00 158 V 7.45 3.39 1.61 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 0.87 0.00 0.00 0.62 0.00 0.00 159 W 7.96 4.10 0.00 3.51 3.25 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 0.00 160 H 8.60 3.36 0.00 3.32 3.49 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 S 8.08 4.07 0.00 3.99 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 0.00 162 H 7.94 4.22 0.00 3.22 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 H 7.93 3.71 0.00 1.80 2.31 0.00 5.77 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 0.00 164 H 7.61 3.90 0.00 3.04 3.16 0.00 5.68 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 0.00 165 I 7.74 3.64 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.89 0.00 0.00 166 A 8.06 4.00 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 0.00 167 H 7.69 4.03 0.00 3.10 2.67 0.00 5.64 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 0.00 168 I 7.47 3.85 2.03 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 1.23 0.97 0.00 0.00 169 T 8.18 3.99 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 0.00 170 E 8.54 3.96 0.00 2.09 2.04 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 2.40 2.47 0.00 171 L 7.46 3.81 0.00 1.72 1.93 0.86 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 172 S 7.94 3.95 0.00 4.15 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 0.00 173 R 7.66 3.88 0.00 1.93 2.05 0.00 3.25 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 174 R 7.64 4.07 0.00 1.65 1.82 0.00 3.20 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 *176 G 7.92 3.78 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 0.00 0.00 0.00 177 W 7.83 4.82 0.00 3.45 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 0.00 178 S 8.41 4.30 0.00 3.95 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.