NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3774 8.3344 115.4084 58.4321 65.4519 174.5156 -1 N 4.1263 8.1760 120.3045 55.4366 39.1101 176.1242 0 A 4.1534 8.7896 118.7752 53.4186 19.3613 178.4812 0 T 4.1834 8.6996 108.5752 62.7186 70.0613 175.3812 3 Q 4.0539 8.4023 120.2118 58.7195 28.6314 178.4116 4 A 4.0544 7.8432 121.3545 55.4642 18.4152 179.6425 5 F 4.1536 8.5947 115.7370 60.2544 38.7911 177.2758 6 S 4.5530 7.9332 111.8520 59.9352 63.1239 174.8180 7 R 4.4771 7.9077 121.6740 55.9686 30.2163 175.1266 8 V 4.7609 7.5222 118.7323 61.1232 33.5011 175.1924 9 R 4.9159 8.9302 125.7735 54.3640 34.3059 174.2150 10 F 5.0300 9.0796 121.1978 56.0816 41.7581 175.0638 11 I 5.5871 8.9784 125.6748 58.7464 40.8949 174.4882 *13 T 4.3739 8.1558 111.1391 63.2523 69.4023 173.9140 14 Q 4.3086 9.4857 123.0835 54.8116 27.2044 172.1602 15 P 4.1941 0.0000 0.0000 63.7547 31.4726 176.2757 16 S 4.1640 8.6501 115.6540 58.7475 63.7170 173.3281 17 H 4.8908 7.7498 117.8390 53.2822 30.1192 173.3379 18 P 4.4158 0.0000 0.0000 65.4856 31.0602 178.8794 19 G 3.6656 8.2997 104.2036 47.9402 0.0000 175.1577 20 N 4.3083 7.9598 118.5570 56.1786 38.5630 177.6841 21 V 3.7291 7.7166 119.3200 65.7451 31.8227 178.1757 22 G 3.9804 7.9240 106.5803 47.5344 0.0000 175.8662 23 S 4.1436 8.4346 117.9639 61.0228 62.8072 176.4339 24 A 3.9316 8.4087 123.7367 55.3756 18.1207 179.6376 25 A 3.9605 7.7733 118.5831 55.0668 18.3659 179.9624 26 R 3.7645 8.0515 116.8418 59.5384 30.0481 178.1051 27 A 3.9924 8.2746 119.7539 55.6869 18.5304 179.4657 28 I 3.7570 7.7890 110.9793 63.7802 37.4185 178.2017 29 K 4.3569 8.2277 122.3642 58.6855 32.1893 180.1429 30 T 4.1757 7.9452 110.4968 61.3367 68.7364 175.0907 *32 G 3.5620 7.9426 108.2355 45.9133 0.0000 173.1608 33 F 5.0760 8.5663 119.5910 55.9771 40.5923 176.5769 34 G 4.1161 8.9778 110.7203 45.1238 0.0000 172.4388 35 E 4.6007 8.3468 121.9307 54.4875 31.2673 173.6559 36 L 5.3942 8.4598 128.9587 53.0781 45.4820 174.9095 37 V 4.9404 8.9874 125.5990 61.1000 34.9033 173.8270 38 L 5.0361 8.9851 127.6483 52.9467 44.5223 175.3426 39 V 4.6296 8.3457 122.7430 61.1911 34.1150 175.2312 40 A 3.7811 8.8036 132.3377 52.6963 16.2740 174.5932 41 P 4.6864 0.0000 0.0000 61.8786 32.8616 177.1411 42 R 3.7799 8.1276 120.0837 58.5584 30.0018 176.9812 43 F 5.3537 7.4442 113.9421 54.7728 41.9896 173.1994 44 P 4.2629 0.0000 0.0000 63.4665 32.0217 172.5973 45 D 4.2826 8.6346 128.8375 54.1976 38.2191 174.7442 *47 T 4.2848 8.3058 113.4527 60.9367 70.5144 174.5506 48 A 4.4115 7.8166 123.8682 52.8580 19.9391 178.1876 49 Q 4.0619 8.0474 115.5841 55.7975 30.2307 175.7333 50 P 4.2760 0.0000 0.0000 65.8629 31.4633 178.7973 51 E 3.9726 8.2142 115.4691 58.9429 29.7198 179.0352 52 A 4.0349 7.9406 121.5775 55.0627 18.5394 179.1786 53 V 3.5002 7.7004 116.5290 66.2704 31.3385 177.8448 54 A 3.9640 8.0150 120.2427 55.3868 18.2271 178.5329 55 L 4.2103 7.8697 112.2491 55.7811 42.0101 177.4496 56 A 4.5507 8.1550 122.2309 52.1300 19.7053 176.9410 57 S 4.0407 7.7655 109.6381 59.7185 63.0661 172.7842 58 G 4.1799 9.3293 113.6506 45.4772 0.0000 174.4529 59 A 4.8681 8.4839 121.2386 51.5850 20.2987 178.5849 60 L 3.9821 7.9968 125.6963 59.6017 42.1982 177.8300 61 D 4.6732 8.0261 120.2597 56.0715 39.0850 178.7057 62 V 3.6406 7.7028 118.2150 65.3876 31.4460 177.3275 63 L 4.1287 7.7740 119.7655 57.9946 41.7949 178.6806 64 E 4.0183 8.5133 118.8851 59.6366 29.3656 179.3924 65 R 4.1230 7.8395 114.9847 56.5991 30.4354 176.9826 66 A 4.7529 7.3567 120.1806 51.7737 19.0187 177.0882 67 A 4.4187 8.6499 123.8601 51.0249 20.8073 176.1460 68 V 4.7396 8.2123 120.9674 61.4214 33.8581 174.4051 69 H 5.1409 8.9651 124.0161 54.1595 32.1951 174.5890 70 D 4.6573 8.8801 119.2996 56.0628 41.3948 177.4049 71 T 4.7483 7.4219 108.6306 59.0890 73.2942 174.3922 72 L 3.9820 8.3515 123.2044 57.9141 42.1689 178.6220 73 E 3.8595 8.2325 118.4105 59.6336 29.1871 178.6488 74 E 3.8104 7.9116 117.1599 59.5642 29.7253 178.6180 75 A 4.0742 7.4480 119.1085 54.8685 18.7214 178.9761 76 L 4.1490 8.5620 116.5062 55.9330 41.6473 178.8167 77 A 3.9211 7.3263 122.1728 54.7178 18.2322 176.6507 78 P 4.6080 0.0000 0.0000 62.6756 31.7323 175.4588 79 V 4.1024 8.0613 120.1652 62.4018 32.2350 175.7064 80 T 4.3192 8.3824 116.5458 62.7237 70.4253 174.5472 81 L 4.0248 8.1214 124.5548 53.4262 45.3798 174.4743 82 A 5.0850 8.5065 128.1060 50.1056 22.2404 174.1644 83 F 5.0593 9.6589 122.5949 55.8276 41.3065 175.1735 84 A 4.5680 9.4147 126.9227 51.3353 19.2733 175.9757 85 L 4.8357 8.8714 126.4599 55.2051 42.5234 176.0141 86 T 4.8659 8.8253 115.7974 60.3632 73.0985 173.3400 87 T 4.4392 8.3951 111.1168 61.7242 69.3118 173.3526 88 R 4.0284 8.7287 129.2058 56.3626 31.0969 175.3637 *94 P 4.1497 0.0000 0.0000 61.0598 33.2894 174.5232 95 P 4.1002 0.0000 0.0000 62.5751 31.2201 174.3649 96 P 4.7084 0.0000 0.0000 62.0503 32.7659 175.4670 97 C 4.7689 8.8747 114.3211 57.9380 30.8895 172.9838 98 D 5.0961 8.9201 120.4961 52.2210 41.2496 176.9927 99 I 3.4412 8.1239 118.2931 64.0218 37.8033 178.0452 100 R 3.9645 7.9238 119.2783 59.3021 29.9577 177.9140 101 E 3.9382 9.0468 118.5528 59.3953 29.3810 179.3191 102 A 3.6801 8.1102 120.7013 54.8136 18.3510 179.3962 103 A 3.8518 7.8886 119.4812 55.2219 18.4593 180.0009 104 G 3.5756 7.8593 103.7109 47.9795 0.0000 175.6911 105 L 4.0220 8.0821 121.4642 57.5266 41.6127 179.3825 106 A 4.0739 8.3903 120.9595 55.3194 18.2667 179.6688 107 R 3.7731 7.9320 116.9466 59.4324 30.1252 178.6889 108 R 3.8299 7.9196 118.3966 59.6726 30.2359 177.8411 109 H 4.0735 8.4197 118.1063 59.4989 29.6855 177.2874 110 L 4.0435 8.0229 119.2331 57.5175 41.4260 178.7348 111 D 4.5270 7.8026 118.2491 56.6069 41.0772 177.7665 112 D 4.5720 8.3117 118.1916 54.3284 41.8724 176.4431 113 T 4.6168 7.0389 109.4803 59.2205 71.4196 174.6660 114 E 3.8588 8.9899 124.8921 59.0430 29.7758 178.6084 115 A 4.7707 7.5982 119.4727 51.3220 19.7746 176.2964 116 G 4.1652 8.1292 107.2664 46.8604 0.0000 173.9200 117 V 4.6183 9.1226 120.3878 60.8555 35.2948 174.2142 118 V 5.0003 8.8416 127.1579 61.0610 34.1857 174.0664 119 A 5.0612 9.0695 128.5219 50.1695 22.7620 174.6091 120 I 4.7545 8.2051 122.1934 59.6272 39.6348 174.8594 121 V 4.8202 9.1185 127.5728 61.1973 33.4781 174.1074 122 L 4.9797 9.1258 128.5576 53.1466 44.0966 177.5360 123 G 4.1887 8.4482 112.0742 44.4305 0.0000 172.2469 124 T 4.7214 7.9251 108.1591 59.1797 71.9974 173.5967 125 E 4.0976 9.0431 121.4133 60.0212 29.3489 181.2251 126 R 4.1411 7.7556 116.1342 56.0656 29.8200 176.7845 *128 G 3.8518 7.7767 107.4087 45.6520 0.0000 172.2473 129 L 4.5830 8.2343 119.7758 53.3430 43.4295 177.2253 130 T 4.1729 8.4236 113.4748 61.4488 70.7860 175.5579 131 N 4.2697 8.6685 119.0251 56.5764 38.3493 177.5610 132 A 3.9977 7.8584 120.7922 54.9558 18.8482 179.3609 133 Q 4.0556 8.1144 116.7824 59.1760 28.7906 178.6641 134 I 3.6646 7.8911 120.9852 64.5488 36.9717 178.0921 135 E 3.9159 8.2944 118.8388 58.9387 29.4578 178.3149 136 L 4.1219 7.5830 117.3911 55.6658 41.9584 176.7252 137 C 4.4976 7.1359 116.4809 58.5898 29.7849 173.4958 138 H 4.3684 8.3172 119.0517 58.5531 28.8092 176.2200 139 R 4.8380 7.5327 114.9570 54.3240 34.8972 174.0788 140 I 4.9888 8.3749 114.5888 59.7499 39.5573 174.4512 141 C 5.9062 9.5748 119.5694 55.8694 33.8794 172.1436 142 H 5.4443 8.5086 113.0742 53.1548 32.2918 172.2257 143 I 4.3380 8.2226 120.4728 58.8952 38.1505 175.0089 144 P 4.4076 0.0000 0.0000 61.7595 29.4278 175.4131 145 A 4.4896 7.5636 128.9233 50.6723 21.3922 176.5274 146 N 4.1672 8.6391 116.4027 53.8716 39.3224 173.6214 147 P 4.5361 0.0000 0.0000 65.2679 31.5436 177.9084 148 Q 4.2161 8.5786 114.3991 58.3445 29.1878 175.6821 149 Y 4.7454 7.6248 119.3593 56.6375 38.9857 175.0936 150 S 4.2936 7.8815 117.7386 60.6235 64.0242 174.7955 151 S 4.4866 7.7702 115.9552 57.5465 61.4250 172.9422 152 L 4.7193 7.7669 124.6607 52.6812 43.1131 176.5212 153 N 4.0898 8.6751 117.5817 54.0884 40.6858 176.0424 154 V 3.5587 8.4540 125.0144 65.9925 31.6699 178.2206 155 A 4.0117 9.2490 121.4325 54.5273 18.0828 179.7773 156 Q 3.8731 8.0450 116.3583 59.0019 28.9861 177.8430 157 A 4.0115 8.1294 122.1158 55.5301 18.2669 179.6804 158 L 3.9511 8.1383 117.3339 57.9562 41.7138 179.5694 159 Q 3.9747 8.2720 119.5022 59.1083 28.9360 178.1304 160 L 4.1012 8.1897 119.8661 57.9720 41.6699 179.3148 161 A 3.9906 8.2502 120.2823 55.3932 18.2635 179.6299 162 A 4.0740 8.5378 119.5598 54.7430 18.3030 179.7621 163 W 4.3378 8.8871 127.4528 60.8427 30.8860 177.8495 164 E 3.5600 8.3283 118.6747 59.4657 28.9728 179.5896 165 L 3.9003 8.1358 118.8740 57.6484 41.7176 179.3922 166 R 4.0074 8.5228 119.0073 59.8025 29.8507 177.8614 167 Y 3.6079 7.6107 117.8848 60.5435 38.7773 177.7054 168 A 4.1076 8.0004 120.2811 54.2919 18.5383 178.7581 169 L 4.2244 7.3601 116.1513 56.2676 42.1929 177.2843 170 L 4.3546 7.7233 123.0280 55.0418 41.6936 176.6826 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 S 8.33 4.38 0.00 3.95 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 N 8.18 4.13 0.00 2.89 2.86 0.00 0.00 6.90 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 0 A 8.79 4.15 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 0 T 8.70 4.18 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 1.21 0.00 0.00 3 Q 8.40 4.05 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 4 A 7.84 4.05 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 5 F 8.59 4.15 0.00 3.07 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 6 S 7.93 4.55 0.00 4.12 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.91 4.48 0.00 2.13 1.99 0.00 3.10 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 8 V 7.52 4.76 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 -0.02 0.00 0.00 0.90 0.00 0.00 9 R 8.93 4.92 0.00 1.62 1.73 0.00 3.14 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 10 F 9.08 5.03 0.00 2.92 2.95 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 11 I 8.98 5.59 1.89 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 0.94 1.80 0.94 0.00 0.00 *13 T 8.16 4.37 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 1.22 0.00 0.00 14 Q 9.49 4.31 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 15 P 0.00 4.19 0.00 2.20 2.22 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 16 S 8.65 4.16 0.00 3.69 3.70 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 17 H 7.75 4.89 0.00 3.21 3.19 0.00 5.68 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.42 0.00 2.21 2.17 0.00 3.83 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 19 G 8.30 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 0.00 0.00 0.00 20 N 7.96 4.31 0.00 3.00 2.92 0.00 0.00 6.67 7.34 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 21 V 7.72 3.73 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 1.07 0.00 0.00 0.95 0.00 0.00 22 G 7.92 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 23 S 8.43 4.14 0.00 4.00 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 24 A 8.41 3.93 1.41 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 25 A 7.77 3.96 1.41 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 26 R 8.05 3.76 0.00 1.93 2.05 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 27 A 8.27 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 28 I 7.79 3.76 1.65 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 1.59 1.15 -0.02 0.00 0.00 29 K 8.23 4.36 0.00 1.94 1.90 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.46 1.33 7.81 30 T 7.95 4.18 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 1.27 0.00 0.00 *32 G 7.94 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.57 5.08 0.00 3.30 3.28 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 0.00 0.00 0.00 34 G 8.98 4.12 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 0.00 35 E 8.35 4.60 0.00 2.31 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 0.00 2.36 2.41 0.00 36 L 8.46 5.39 0.00 1.85 1.52 1.03 0.80 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 37 V 8.99 4.94 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 1.00 0.00 0.00 0.99 0.00 0.00 38 L 8.99 5.04 0.00 1.60 1.54 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.35 4.63 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 0.97 0.00 0.00 1.03 0.00 0.00 40 A 8.80 3.78 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 41 P 0.00 4.69 0.00 2.31 2.06 0.00 3.79 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 42 R 8.13 3.78 0.00 1.46 1.32 0.00 2.78 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 43 F 7.44 5.35 0.00 3.06 2.81 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 0.00 0.00 0.00 0.00 44 P 0.00 4.26 0.00 2.08 2.02 0.00 3.91 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 45 D 8.63 4.28 0.00 2.89 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 *47 T 8.31 4.28 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 1.23 0.00 0.00 48 A 7.82 4.41 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 49 Q 8.05 4.06 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 50 P 0.00 4.28 0.00 2.16 2.11 0.00 3.60 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 2.11 2.15 0.00 51 E 8.21 3.97 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 52 A 7.94 4.03 1.41 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 53 V 7.70 3.50 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0.00 2.17 2.15 0.00 3.62 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 1.95 2.05 0.00 79 V 8.06 4.10 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 0.83 0.00 0.00 0.91 0.00 0.00 80 T 8.38 4.32 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 1.22 0.00 0.00 81 L 8.12 4.02 0.00 1.13 1.17 0.37 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.51 5.09 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 83 F 9.66 5.06 0.00 2.90 2.97 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 84 A 9.41 4.57 1.29 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 85 L 8.87 4.84 0.00 1.66 1.70 0.96 0.82 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 86 T 8.83 4.87 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.37 2.39 0.00 134 I 7.89 3.66 2.02 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 0.70 0.90 0.00 0.00 135 E 8.29 3.92 0.00 2.03 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 0.00 2.29 2.33 0.00 136 L 7.58 4.12 0.00 1.83 1.65 0.89 0.87 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 0.00 137 C 7.14 4.50 0.00 2.99 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 0.00 138 H 8.32 4.37 0.00 2.72 3.19 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.53 4.84 0.00 1.44 1.84 0.00 3.30 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.39 0.00 140 I 8.37 4.99 1.91 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 1.43 0.89 0.93 0.00 0.00 141 C 9.57 5.91 0.00 3.05 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 0.00 142 H 8.51 5.44 0.00 3.31 3.37 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 8.22 4.34 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.63 0.91 0.00 0.00 144 P 0.00 4.41 0.00 2.17 2.03 0.00 3.66 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 1.94 1.88 0.00 145 A 7.56 4.49 1.28 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 0.00 0.00 0.00 0.00 0.00 146 N 8.64 4.17 0.00 2.77 2.85 0.00 0.00 6.88 7.71 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 0.00 147 P 0.00 4.54 0.00 2.11 2.12 0.00 3.81 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 148 Q 8.58 4.22 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.34 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 149 Y 7.62 4.75 0.00 2.82 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 0.00 150 S 7.88 4.29 0.00 3.92 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 0.00 151 S 7.77 4.49 0.00 3.67 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 0.00 152 L 7.77 4.72 0.00 1.82 1.59 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 153 N 8.68 4.09 0.00 2.76 2.90 0.00 0.00 6.70 7.71 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 0.00 154 V 8.45 3.56 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 1.10 0.00 0.00 0.98 0.00 0.00 155 A 9.25 4.01 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 0.00 156 Q 8.05 3.87 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 157 A 8.13 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.14 3.95 0.00 1.92 1.65 0.91 1.13 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 0.00 159 Q 8.27 3.97 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 160 L 8.19 4.10 0.00 1.92 1.80 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.25 3.99 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.54 4.07 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 W 8.89 4.34 0.00 3.53 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 E 8.33 3.56 0.00 2.11 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 2.52 2.50 0.00 165 L 8.14 3.90 0.00 1.78 1.73 0.62 0.87 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 0.00 166 R 8.52 4.01 0.00 2.29 2.32 0.00 3.30 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 167 Y 7.61 3.61 0.00 1.84 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 0.00 168 A 8.00 4.11 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 0.00 169 L 7.36 4.22 0.00 1.31 1.46 0.34 0.86 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 0.00 170 L 7.72 4.35 0.00 1.43 1.49 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.