NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2641 8.1185 123.5803 52.2428 20.9932 178.9652 3 A 3.7860 7.8593 117.5769 54.6312 18.3174 177.9251 4 A 3.7178 8.2883 120.8437 55.1785 18.9175 177.9733 5 A 3.9815 7.8990 118.9120 55.1663 18.5299 179.3361 6 E 3.7096 8.2794 117.9609 59.3801 29.7465 179.1025 7 L 4.0229 7.9901 118.9840 57.4543 41.6152 179.7560 8 S 4.3830 8.0782 115.5017 61.4710 62.7461 175.8942 9 L 3.8624 8.0770 123.4871 58.5207 41.6718 178.9911 10 L 4.5381 8.0087 121.0925 57.5406 42.0789 178.4706 11 E 4.0366 8.3410 118.7370 59.6400 29.4880 179.6576 12 K 4.0617 8.0378 118.0890 59.5317 32.3015 179.7018 13 S 5.0174 8.4558 115.8080 60.4575 62.7406 175.4810 14 L 4.4831 8.0889 120.5314 53.7051 42.4583 176.2184 15 G 3.8308 7.9656 106.8483 46.8553 0.0000 174.5498 16 L 4.6950 7.9470 118.1548 52.6263 43.5999 177.7104 17 S 4.2398 8.7252 119.2584 60.5882 63.4981 174.5889 18 K 4.1924 7.8459 120.5624 54.4410 30.4992 175.3957 19 G 3.9013 8.3155 112.1413 45.3785 0.0000 171.3352 20 N 4.4156 8.6930 125.5321 53.2520 39.4122 175.3457 21 K 4.3958 7.8693 121.3157 53.0858 33.6901 176.4808 22 Y 5.6107 8.4492 119.6375 54.7906 41.2652 175.4176 23 S 4.8729 8.7313 117.6785 56.9577 66.5334 172.1056 24 A 5.3301 8.3067 120.2889 49.7420 22.3393 175.8799 25 Q 4.2766 8.4196 119.3650 56.3172 32.6267 175.4195 26 G 4.3129 9.2215 113.6704 45.6748 0.0000 174.3625 27 E 4.0943 8.5018 113.9698 58.0041 29.7039 177.2438 28 R 4.4140 7.8924 113.6884 55.7689 30.8278 175.5557 29 Q 3.4506 7.8055 118.0164 57.0325 27.9156 173.8384 30 I 4.0784 7.5238 117.8296 60.5557 38.4466 175.1413 31 P 4.8359 0.0000 0.0000 62.7067 32.7574 175.6833 32 V 4.7148 8.7047 121.2848 61.1083 35.0493 173.7263 33 L 5.1158 9.4265 129.6070 53.3614 44.7859 174.9776 34 Q 4.6933 8.8172 125.9422 55.5766 29.6654 175.4633 35 T 4.6302 7.9218 114.6187 59.9650 71.2191 175.7037 36 N 4.4525 8.8046 119.9377 56.1576 39.1364 176.4270 37 N 4.4552 8.3842 115.2974 56.1192 38.5961 176.0397 38 G 4.6735 7.3448 106.1208 43.8642 0.0000 169.7585 39 P 4.4380 0.0000 0.0000 62.5918 32.9865 175.0647 40 S 4.7648 8.5710 118.4182 57.8641 63.4030 172.9520 41 L 4.7409 9.4101 126.6402 52.6746 45.9486 175.6866 *43 G 3.8732 8.3320 107.7253 45.1794 0.0000 173.4364 44 L 3.8643 8.6709 125.4264 58.5795 42.1271 179.6929 45 T 4.0508 7.8409 108.8113 64.7343 69.0770 176.7824 46 T 3.8627 7.8068 118.2043 66.5625 68.6049 176.5778 47 I 3.7580 8.0085 121.6198 64.3568 37.1454 178.2651 48 A 4.0641 8.4290 121.8344 55.2830 18.0390 179.5921 49 A 3.9735 8.0570 119.0904 55.1387 18.5047 179.1857 50 H 4.1008 8.1625 116.6801 59.6862 30.0000 177.2616 51 L 3.9571 8.4005 120.9705 57.8228 41.4372 179.7637 52 V 3.5204 7.7506 117.9287 66.0530 31.4899 178.1947 53 K 3.9534 7.7225 118.4898 59.4181 31.7398 178.8775 54 Q 4.2145 7.7372 114.6692 57.6111 28.9088 176.9000 55 A 4.3280 7.5221 121.4354 51.0920 19.1502 176.1474 56 N 4.2518 7.9760 115.1726 55.1483 38.3465 174.0407 57 K 4.6997 7.7421 111.3631 55.0503 33.3545 178.2793 58 E 3.9189 8.3079 120.5691 58.9198 29.6568 176.5808 59 Y 4.2586 7.9300 117.2096 59.9869 37.9663 177.7788 60 L 3.9283 7.2720 120.3040 56.2948 41.5033 177.9506 61 L 4.4424 7.5744 118.5392 53.2975 41.9947 176.5072 62 G 4.1372 7.4667 106.2668 45.2720 0.0000 173.9281 63 S 4.7072 8.5242 113.9418 57.9112 65.1158 174.8948 64 T 4.7313 7.4883 109.6692 58.9177 72.9275 174.3422 65 A 3.9974 8.4832 122.8618 55.5039 18.0810 179.8861 66 E 3.9503 8.0588 115.7660 59.5271 29.7022 178.7037 67 E 4.1574 7.9194 117.9505 58.9973 29.9675 178.4722 68 K 4.4960 8.6840 120.1348 58.7273 32.0953 180.6179 69 A 4.2467 7.8462 119.5137 52.2378 18.1697 179.5573 *71 V 4.0355 7.7794 122.0150 64.7644 33.6041 177.4084 72 Q 3.9974 8.5176 119.0641 59.0932 28.4955 178.6204 73 Q 3.7871 8.2445 120.5974 59.2604 29.0187 178.7477 74 W 4.0216 7.9835 119.0704 59.2004 29.0626 178.4893 75 L 4.0619 8.3705 119.5555 57.9117 41.2493 179.0911 76 E 3.9168 8.3333 119.2184 59.3567 29.5025 178.0946 77 Y 3.9160 8.0636 119.5643 60.6074 38.7868 177.8665 78 R 4.0159 8.2795 119.5638 59.9539 30.0109 178.6491 79 V 3.8428 7.5271 109.5669 63.0810 31.7418 177.5397 80 T 4.3441 7.5880 108.0343 62.1447 69.9894 175.1391 81 Q 4.1843 8.0356 119.2541 56.5926 30.7365 177.1406 82 V 3.7011 7.4168 116.2106 65.3438 32.0376 175.9800 83 D 4.4065 7.8839 119.2985 54.2164 41.2882 176.9010 *84 G 3.7661 8.5190 110.4464 46.2325 0.0000 172.5386 *89 N 4.7961 8.4307 119.5992 53.0778 40.2425 176.9049 90 D 4.6878 7.9660 120.1213 58.4722 39.9143 181.0470 91 I 3.8166 7.5274 120.3163 64.0370 36.9062 178.0743 92 H 4.1402 8.1280 116.3728 58.8189 28.6748 177.1453 93 T 3.9612 7.2032 114.5717 64.9298 67.4710 175.4195 94 L 4.1321 7.5430 121.9125 58.1946 42.0468 180.7526 95 L 4.0424 7.9616 117.6647 54.9142 41.3883 178.9474 *97 D 4.6219 8.1131 120.7557 54.3961 43.1109 177.8571 98 L 3.9926 8.1086 120.3880 58.0145 41.7350 178.3867 99 N 4.3082 8.3464 116.5892 56.8691 39.2873 176.7648 100 S 4.2580 8.0200 115.8502 61.7757 62.8580 175.5329 101 Y 4.1266 7.7907 120.8019 60.8941 38.8849 177.8384 102 L 3.9283 7.9667 117.6546 55.3173 41.6694 178.4626 103 E 4.0097 7.7352 118.1417 58.5137 29.2489 177.4071 104 D 4.8406 7.5121 115.8002 52.3631 39.8997 175.5495 105 K 4.4291 7.5938 117.4802 55.1020 35.9411 176.4875 106 V 3.6900 8.2291 121.2671 64.4092 32.3015 175.7845 107 Y 5.1712 7.2278 115.6630 55.7127 40.6810 176.3480 108 L 3.4856 9.3209 123.7558 58.1614 41.6232 178.8748 109 T 4.3576 7.6842 104.6652 61.3703 69.3607 174.0422 110 G 3.9471 7.5318 114.8400 46.3941 0.0000 174.9132 111 Y 4.6336 8.1181 113.7944 58.1889 40.9330 175.4498 112 N 5.0309 8.0121 113.9883 50.6449 42.3021 173.8015 113 F 3.7006 7.8885 123.5857 58.2991 39.6718 174.3844 114 T 4.4097 7.9594 116.9246 58.6452 72.1115 174.1655 115 L 3.6601 8.6207 121.8647 58.1469 41.6745 178.6648 116 A 4.0198 7.5526 120.0969 55.2131 18.1962 179.2520 117 D 4.5936 7.5707 117.0149 57.5957 40.8032 179.1434 118 I 3.4167 7.2356 119.5673 64.4429 37.2323 178.4617 119 L 4.0359 7.9674 119.8146 57.5480 41.3185 179.3891 120 L 4.2259 8.1849 120.6088 58.1567 42.0789 178.2201 121 Y 4.2970 8.5332 119.8051 61.2507 38.4774 177.8501 122 Y 4.3122 8.0224 116.4609 61.1208 37.9946 178.7198 123 G 3.8982 8.2011 105.9126 47.5295 0.0000 175.3343 124 L 4.7539 8.7300 120.6434 56.4165 41.9139 178.3035 125 H 4.2537 8.2869 119.1921 59.5668 29.4068 176.4046 126 R 3.7149 8.0226 118.4461 59.8041 29.7937 177.7701 127 F 4.4359 7.6534 116.3280 60.2535 39.3554 177.9974 128 I 3.7103 8.1652 119.9283 64.2432 36.5646 178.6783 129 V 3.5623 7.5862 112.5428 63.9900 31.4186 177.3081 130 D 4.6685 7.5134 115.8467 53.3426 41.6169 176.8711 131 L 4.3343 7.2457 120.5498 54.5638 42.3186 177.7219 132 T 4.2089 8.5885 113.9533 61.2113 70.9903 176.0112 133 V 3.5539 8.1336 119.6915 66.0927 31.4213 177.5584 134 Q 3.9577 7.9665 118.9542 59.1187 29.0395 177.8172 135 E 3.7293 8.1488 119.6674 59.2971 29.2804 179.4541 136 K 4.1651 8.0735 117.6396 59.5521 32.1592 178.9320 137 E 4.1735 7.9991 118.1345 58.8148 29.4556 178.8034 138 K 3.9628 7.9028 119.5273 58.3759 33.7692 177.6874 139 Y 4.9518 7.2224 117.9856 56.6273 34.8071 176.2474 140 L 4.0685 7.7403 123.4820 57.9895 42.3657 179.0033 141 N 4.3974 8.8119 116.6545 56.0037 38.4573 177.7908 142 V 3.7654 8.0591 119.2823 66.2028 31.7187 178.0538 143 S 4.1399 8.4206 115.0093 61.5899 62.8186 176.7049 144 R 3.7261 8.3005 121.6220 59.0813 29.7721 178.3810 145 W 4.0475 8.4152 128.1964 60.4581 30.6716 177.7101 146 F 3.1641 8.8216 121.0634 61.1924 38.7024 176.5968 147 C 4.0439 7.8970 118.5092 62.5809 31.0086 175.0979 148 H 4.1167 7.6556 118.7686 59.2971 29.7694 177.0999 149 I 3.4957 7.2947 122.0465 63.9718 36.5487 178.3898 150 Q 3.3038 7.2885 117.7752 58.6937 28.3749 177.4699 151 H 4.5778 7.3079 115.6810 54.9187 29.8907 174.7756 152 Y 3.6990 7.1701 124.0640 56.1871 39.1194 172.8804 153 P 4.1553 0.0000 0.0000 64.6152 31.7188 176.3967 154 G 3.9795 9.0270 110.9368 45.8412 0.0000 174.3873 155 I 4.1060 7.5283 120.4957 63.2332 38.1779 177.4927 156 R 4.3730 8.1027 120.1012 57.9860 31.4183 178.6957 157 Q 3.1247 7.7576 114.2706 57.4250 28.4826 175.2973 158 H 4.6157 8.8289 122.6415 56.8263 29.0102 175.3329 159 L 4.0379 7.5456 121.5236 54.3687 41.9728 177.1835 160 S 4.3146 8.5191 117.0196 58.5291 63.5020 174.3077 161 S 4.6135 8.5299 119.1565 58.4774 63.4382 173.8640 162 V 4.0162 8.7660 124.4337 61.3083 32.4712 175.7077 163 V 3.8355 7.8769 126.3268 62.2082 31.5506 175.1704 164 F 4.8995 8.6618 125.7657 55.7023 41.6509 174.5027 165 I 4.3201 8.5224 126.5562 59.9776 38.1862 175.1278 166 K 4.5288 8.4828 124.7123 54.6544 33.4686 175.8203 167 N 3.9271 8.7518 119.7853 54.7386 39.3404 174.9842 168 R 3.8310 8.6759 121.2665 57.3316 27.4972 176.6495 169 L 4.5326 7.5662 112.9209 55.8366 45.1643 177.3506 *170 Y 4.3515 7.8601 122.9224 57.0215 37.5075 179.4078 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 2 A 8.12 4.26 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 3 A 7.86 3.79 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 4 A 8.29 3.72 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 5 A 7.90 3.98 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 6 E 8.28 3.71 0.00 1.99 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 2.35 2.32 0.00 7 L 7.99 4.02 0.00 1.25 1.34 0.38 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.08 4.38 0.00 4.13 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 9 L 8.08 3.86 0.00 1.68 1.60 0.72 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.01 4.54 0.00 2.08 1.90 1.02 0.73 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 11 E 8.34 4.04 0.00 2.41 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 2.44 2.68 0.00 12 K 8.04 4.06 0.00 2.08 1.91 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.49 7.81 13 S 8.46 5.02 0.00 4.22 4.39 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 14 L 8.09 4.48 0.00 1.92 1.78 0.97 0.80 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 15 G 7.97 3.83 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 0.00 0.00 0.00 16 L 7.95 4.69 0.00 1.78 1.62 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.73 4.24 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.85 4.19 0.00 2.03 1.82 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.00 7.81 19 G 8.32 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 20 N 8.69 4.42 0.00 2.41 2.21 0.00 0.00 6.86 8.76 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 21 K 7.87 4.40 0.00 1.76 1.57 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.00 7.81 22 Y 8.45 5.61 0.00 2.84 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 23 S 8.73 4.87 0.00 3.91 4.03 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 24 A 8.31 5.33 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.42 4.28 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.45 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 26 G 9.22 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 27 E 8.50 4.09 0.00 2.00 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 2.23 1.90 0.00 28 R 7.89 4.41 0.00 1.78 1.97 0.00 3.32 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 29 Q 7.81 3.45 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 30 I 7.52 4.08 1.98 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 1.28 1.21 0.91 0.00 0.00 31 P 0.00 4.84 0.00 1.92 1.94 0.00 3.69 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 1.88 1.88 0.00 32 V 8.70 4.71 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 0.97 0.00 0.00 1.01 0.00 0.00 33 L 9.43 5.12 0.00 2.12 1.74 0.86 1.07 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 34 Q 8.82 4.69 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 35 T 7.92 4.63 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 1.16 0.00 0.00 36 N 8.80 4.45 0.00 2.74 2.92 0.00 0.00 6.96 8.00 0.00 0.00 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 N 8.38 4.46 0.00 2.70 2.91 0.00 0.00 6.64 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 38 G 7.34 4.67 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 0.00 0.00 0.00 39 P 0.00 4.44 0.00 2.07 1.97 0.00 3.58 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 2.11 2.08 0.00 40 S 8.57 4.76 0.00 3.88 3.76 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 41 L 9.41 4.74 0.00 1.54 1.52 0.84 0.27 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 *43 G 8.33 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.67 3.86 0.00 1.75 1.69 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.84 4.05 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 1.30 0.00 0.00 46 T 7.81 3.86 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 1.22 0.00 0.00 47 I 8.01 3.76 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 1.52 0.64 1.02 0.00 0.00 48 A 8.43 4.06 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 49 A 8.06 3.97 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 50 H 8.16 4.10 0.00 3.32 3.60 0.00 5.80 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 51 L 8.40 3.96 0.00 1.88 1.75 1.02 0.94 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 52 V 7.75 3.52 2.17 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 0.95 0.00 0.00 0.90 0.00 0.00 53 K 7.72 3.95 0.00 1.90 1.83 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.58 7.81 54 Q 7.74 4.21 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 55 A 7.52 4.33 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 56 N 7.98 4.25 0.00 2.84 2.89 0.00 0.00 6.88 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.74 4.70 0.00 1.68 1.27 0.00 1.76 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.62 7.81 58 E 8.31 3.92 0.00 2.02 1.97 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 2.39 2.36 0.00 59 Y 7.93 4.26 0.00 3.32 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 60 L 7.27 3.93 0.00 1.48 1.58 0.80 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.57 4.44 0.00 1.79 1.66 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.47 4.14 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 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4.00 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 73 Q 8.24 3.79 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 1.29 1.85 0.00 74 W 7.98 4.02 0.00 3.42 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 75 L 8.37 4.06 0.00 1.84 1.75 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.33 3.92 0.00 2.00 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 2.24 2.28 0.00 77 Y 8.06 3.92 0.00 2.79 2.98 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 0.00 0.00 0.00 78 R 8.28 4.02 0.00 2.19 2.27 0.00 3.33 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 79 V 7.53 3.84 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 0.84 0.00 0.00 0.99 0.00 0.00 80 T 7.59 4.34 4.15 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 1.21 0.00 0.00 81 Q 8.04 4.18 0.00 1.07 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 82 V 7.42 3.70 2.30 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 0.99 0.00 0.00 0.95 0.00 0.00 83 D 7.88 4.41 0.00 2.87 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 *84 G 8.52 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 *89 N 8.43 4.80 0.00 2.69 2.88 0.00 0.00 7.10 8.07 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 90 D 7.97 4.69 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.53 3.82 1.60 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 -0.36 0.38 0.00 0.00 92 H 8.13 4.14 0.00 3.16 3.49 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.20 3.96 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 1.28 0.00 0.00 94 L 7.54 4.13 0.00 1.81 1.70 0.75 0.89 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 95 L 7.96 4.04 0.00 0.94 0.47 0.69 0.97 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 *97 D 8.11 4.62 0.00 2.90 2.80 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 98 L 8.11 3.99 0.00 1.93 1.71 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.35 4.31 0.00 2.91 2.93 0.00 0.00 7.29 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 0.00 100 S 8.02 4.26 0.00 4.06 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 0.00 101 Y 7.79 4.13 0.00 2.98 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 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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 0.00 111 Y 8.12 4.63 0.00 3.01 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 0.00 112 N 8.01 5.03 0.00 2.82 2.68 0.00 0.00 6.83 7.45 0.00 0.00 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 F 7.89 3.70 0.00 1.93 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 0.00 114 T 7.96 4.41 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 1.20 0.00 0.00 115 L 8.62 3.66 0.00 1.63 1.69 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.55 4.02 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 0.00 117 D 7.57 4.59 0.00 2.36 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 0.00 118 I 7.24 3.42 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 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135 E 8.15 3.73 0.00 2.33 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 2.36 2.34 0.00 136 K 8.07 4.17 0.00 1.92 2.08 0.00 1.50 0.00 0.00 1.42 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.66 7.81 137 E 8.00 4.17 0.00 2.04 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 2.38 2.70 0.00 138 K 7.90 3.96 0.00 1.54 1.10 0.00 1.54 0.00 0.00 1.35 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.12 1.31 7.81 139 Y 7.22 4.95 0.00 3.16 2.85 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 0.00 140 L 7.74 4.07 0.00 1.73 1.75 0.94 0.76 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 0.00 141 N 8.81 4.40 0.00 2.99 2.84 0.00 0.00 6.65 8.23 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 0.00 142 V 8.06 3.77 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.01 0.00 0.00 143 S 8.42 4.14 0.00 4.13 3.98 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 0.00 0.00 0.00 144 R 8.30 3.73 0.00 1.95 2.08 0.00 3.21 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 145 W 8.42 4.05 0.00 3.35 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.82 3.16 0.00 3.48 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 0.00 147 C 7.90 4.04 0.00 2.17 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 H 7.66 4.12 0.00 3.15 3.31 0.00 6.00 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 0.00 149 I 7.29 3.50 0.66 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 0.56 0.09 0.28 0.00 0.00 150 Q 7.29 3.30 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.14 0.00 151 H 7.31 4.58 0.00 3.12 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Y 7.17 3.70 0.00 2.93 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.16 0.00 1.83 1.87 0.00 2.29 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 154 G 9.03 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.53 4.11 1.78 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.94 0.83 0.00 0.00 156 R 8.10 4.37 0.00 2.05 1.96 0.00 3.59 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 157 Q 7.76 3.12 0.00 2.14 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 158 H 8.83 4.62 0.00 3.25 3.42 0.00 5.53 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 0.00 159 L 7.55 4.04 0.00 1.75 1.44 0.66 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 160 S 8.52 4.31 0.00 4.03 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 S 8.53 4.61 0.00 3.95 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 0.00 162 V 8.77 4.02 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 0.10 0.00 0.00 1.02 0.00 0.00 163 V 7.88 3.84 1.96 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 0.84 0.00 0.00 0.90 0.00 0.00 164 F 8.66 4.90 0.00 3.10 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 0.00 165 I 8.52 4.32 1.92 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 1.45 0.81 0.94 0.00 0.00 166 K 8.48 4.53 0.00 1.76 1.75 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.50 7.81 167 N 8.75 3.93 0.00 2.72 2.79 0.00 0.00 7.21 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 0.00 168 R 8.68 3.83 0.00 1.92 1.96 0.00 3.17 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 169 L 7.57 4.53 0.00 1.82 1.62 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 *170 Y 7.86 4.35 0.00 2.08 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.