NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -23 S 4.4523 8.2816 114.7967 57.8064 63.9309 176.5043 -22 S 4.0724 8.5847 107.7224 56.9598 63.4148 171.2163 -21 G 3.8699 9.0351 116.7029 44.1635 0.0000 174.0539 -20 L 4.0680 8.1670 118.0399 55.7992 41.6889 177.3272 -19 V 4.7010 7.4491 118.2932 59.1045 32.1143 173.2594 -18 P 4.3091 0.0000 0.0000 63.1249 31.9028 172.6642 -17 R 3.9152 8.2810 125.4404 55.6818 29.5859 176.8544 -23 S 4.4523 8.2816 114.7967 57.8064 63.9309 176.5043 -22 M 4.0824 8.5547 111.6224 54.0598 32.5148 172.9163 -21 K 4.2299 8.9951 128.3029 55.2635 34.4411 175.7539 -20 I 3.8980 8.0070 116.1399 61.7992 38.0888 176.1272 -19 V 4.7010 7.4491 118.2932 59.1045 32.1143 173.2594 -18 V 4.0091 8.2319 127.6471 62.0249 32.7028 171.6642 -17 P 3.9952 0.0000 0.0000 62.9818 30.7859 177.8544 7 V 4.4286 8.9059 116.4497 59.1692 35.1888 175.9189 8 M 4.9796 7.9174 122.7088 53.5584 32.5674 174.0859 9 P 4.5258 0.0000 0.0000 63.3002 32.4554 176.6774 10 Q 4.5734 8.8334 119.0075 55.8723 29.4777 175.1108 11 N 4.6222 7.3175 115.4398 51.1989 40.8719 174.8819 12 I 3.7267 8.0754 119.5630 63.9811 37.7377 177.4687 13 E 3.9342 8.1046 118.4512 59.4740 29.7197 178.5492 14 E 4.2122 8.9382 118.7656 59.3035 29.3825 179.2432 15 A 3.8936 7.9646 120.7046 55.3446 18.3006 179.2786 16 N 4.3680 8.0911 112.5094 55.1332 38.7311 176.5311 17 Q 4.3496 7.4699 117.9994 54.5207 29.6431 175.8241 18 L 3.8937 6.9835 121.0598 55.0568 42.1329 176.0987 19 D 4.5841 8.5401 122.9962 53.3076 41.6185 175.8189 20 L 4.4711 8.3021 125.6264 55.2526 42.2791 178.7193 21 T 3.8254 8.4344 119.2206 66.7914 68.4153 176.0691 22 R 4.3731 7.7898 117.0581 56.5121 30.3282 179.3746 23 I 4.2981 7.2969 117.9362 61.3321 38.0916 175.1339 24 D 4.9805 8.8440 124.1860 51.1730 41.5528 177.5066 25 S 4.1513 8.5486 113.7726 60.6234 63.0187 175.0160 26 T 4.3376 8.8993 110.8219 61.8374 69.3629 174.7149 27 D 4.8883 7.9264 123.1708 54.5616 41.5175 175.8088 28 I 4.2671 7.9063 123.0501 60.1970 38.8833 175.0423 29 I 4.3601 8.3620 127.7653 59.8476 39.0570 174.2157 30 E 4.7889 8.1984 128.2554 54.2402 31.4878 174.5965 31 W 4.8652 9.1143 135.0000 56.7403 31.5354 175.7249 32 R 4.7123 8.9354 128.6196 55.1958 28.1274 177.3720 33 A 3.5921 7.8554 125.5881 53.5401 18.6311 179.4324 34 D 4.4664 7.7089 114.1904 55.3263 39.6149 176.7099 35 Y 4.1155 7.8850 116.7224 58.8152 38.0011 175.1854 36 L 4.9326 7.6171 120.1485 52.3111 44.7304 176.8238 37 V 3.8579 8.0526 120.2624 61.1377 32.5633 176.8564 38 K 3.7993 8.9532 123.0017 60.1301 31.8144 178.1428 39 D 4.6895 8.1016 114.4083 55.7297 41.0869 176.8696 40 D 4.9551 8.1028 120.4934 53.6357 41.6194 178.4021 41 I 3.9217 7.6486 121.1533 64.6375 37.0126 178.2890 42 L 4.2964 8.0306 118.0211 57.9335 41.4807 179.2258 43 T 4.1341 8.0298 109.5072 64.4555 69.0483 176.5643 44 V 3.8288 8.1212 120.6000 64.8526 31.6517 177.5171 45 A 3.6641 8.1740 120.9609 54.9218 18.1565 177.7513 46 P 4.1972 0.0000 0.0000 65.6645 31.3232 178.7160 47 A 3.8823 7.7918 119.1562 55.0024 18.2910 179.6792 48 I 3.1947 7.0925 117.7614 64.4893 36.8461 178.4383 49 F 4.2507 7.5945 116.5859 59.5746 38.9310 177.4678 50 E 4.0758 8.1324 119.6324 58.9855 29.2744 178.4305 51 K 3.6390 7.8130 118.6630 58.8167 32.3770 178.2198 52 F 4.9334 7.6821 116.9264 56.1264 40.2151 175.7778 53 S 4.4276 7.1702 113.7920 59.9052 63.1262 174.8335 54 G 3.9700 9.0781 110.8497 45.7226 0.0000 172.7286 55 H 4.9984 7.7542 115.9319 53.4407 31.6883 173.7154 56 E 4.4819 8.5659 121.7082 56.5857 30.8292 175.9638 57 V 4.8767 9.3264 123.4261 61.2284 35.1082 174.0041 58 I 5.0839 8.9172 128.7661 59.9894 39.3980 174.3505 59 F 5.0714 9.4024 130.2414 57.4278 40.8693 174.4382 60 T 4.5844 8.0668 123.2225 61.7701 71.4620 173.3916 61 L 4.6724 8.2212 127.2775 53.0008 42.0672 174.5576 62 R 4.5082 8.3041 124.1426 55.4162 31.5092 175.8910 63 T 5.3484 8.9419 116.5275 59.9125 68.8100 175.6846 64 E 4.3881 8.4065 120.6028 58.7345 29.6390 179.8596 65 K 4.2272 7.5500 117.0045 58.5092 32.2820 176.9323 66 E 4.6495 7.1577 117.4908 56.0006 30.1358 176.8418 67 G 3.0264 8.2885 104.7359 45.3232 0.0000 174.1330 68 G 4.4183 7.7860 109.6222 43.7119 0.0000 174.4837 69 N 4.9358 8.4533 115.0818 52.5065 39.3227 174.4962 70 I 4.6473 7.3101 117.4496 59.2779 41.3248 173.7921 71 S 5.1171 8.4936 120.7767 56.6803 65.5238 173.7657 72 L 4.8413 8.2395 123.4913 51.9058 45.6034 177.0470 73 S 4.4417 8.5404 117.2829 58.0190 65.1484 174.9568 74 N 4.4580 8.9203 120.2377 57.0035 38.3023 177.3833 75 E 4.0231 8.1903 118.9551 59.6869 29.6763 179.1017 76 D 4.4013 8.1265 118.6174 57.1764 40.8601 178.1473 77 Y 3.9646 8.2816 120.3869 60.7753 38.6890 178.2726 78 L 3.8387 8.0441 119.5770 57.5666 41.6078 179.4034 79 A 3.9707 8.1143 120.7025 55.2123 18.2752 179.8018 80 I 3.6356 7.7827 118.2213 64.5484 37.1240 178.6741 81 I 3.6233 7.4630 120.5680 64.5594 36.8864 178.7825 82 R 4.0943 8.1586 118.9532 59.3273 29.8141 178.9613 83 D 4.3012 8.3813 118.9660 57.3323 40.7906 178.7582 84 I 3.7151 7.8943 120.2984 64.2906 37.1496 178.1810 85 A 3.9942 8.2489 121.5497 55.3506 18.0415 179.6397 86 A 3.8855 7.8917 117.8629 55.0512 18.4806 179.6078 87 L 3.7410 7.8872 117.0316 57.1511 41.8686 177.7037 88 Y 4.2946 7.6633 112.8638 56.4947 40.3202 175.5578 89 Q 3.3151 7.6921 117.0673 56.0112 26.5169 172.0643 90 P 4.6624 0.0000 0.0000 62.6905 32.6827 176.9458 91 D 4.4449 8.8728 121.0077 57.2035 41.3727 176.4365 92 Y 5.2727 8.4967 114.3153 56.2687 42.9357 174.7268 93 I 5.1445 8.8620 122.6206 59.4377 40.3908 174.5839 94 D 5.0298 9.0543 128.0419 54.3131 42.1643 175.3148 95 F 4.7109 9.5708 127.8410 56.3604 42.6545 173.8596 96 E 4.8284 9.1481 128.8651 55.6056 28.2646 176.3732 97 Y 4.3998 9.0391 127.1131 60.7591 38.9953 179.0444 98 F 4.1573 8.1970 116.2284 60.1067 39.3685 177.1447 99 S 4.0305 8.0380 115.7973 60.8595 63.0445 174.2626 100 Y 4.7268 7.6255 116.5648 57.2750 39.5378 177.3445 101 R 3.6336 7.8229 119.4654 59.5121 29.4508 178.1852 102 D 4.3518 8.2670 117.0644 57.1690 40.9327 178.0598 103 V 4.2896 7.7549 109.4330 61.0197 31.8851 177.7411 104 L 3.7736 8.0197 125.2863 57.9913 41.9277 179.1286 105 E 3.9514 8.2227 117.7829 59.2687 29.4872 178.1488 106 E 4.2764 8.0262 116.1448 57.8981 29.7647 177.0326 107 M 4.6932 8.1948 121.5446 55.8489 32.2650 178.1447 *108 Y 4.0084 7.5552 120.5249 59.5623 36.9341 180.4215 109 D 4.7441 8.1563 115.2614 53.5488 40.0796 175.9085 110 F 4.4866 8.4671 120.2378 56.7061 39.9119 175.7139 111 S 4.8315 8.7785 118.1318 57.9370 63.6214 173.5537 112 N 5.2558 8.0757 118.4808 52.9371 38.2225 173.7658 113 L 4.9268 8.2878 119.0038 55.5854 43.8047 176.2622 114 I 4.4720 8.9728 124.7604 59.7621 38.7794 175.1598 115 L 5.0490 8.7839 129.5787 54.3415 42.4268 176.4782 116 S 5.3944 9.2330 119.2873 56.6807 66.3791 172.6070 117 Y 5.5020 8.7708 122.0842 56.5291 42.3934 173.4546 118 H 4.8889 8.8934 122.7758 53.8759 32.2810 172.2758 119 N 4.7453 8.4735 122.6317 51.9451 40.6516 174.6447 120 F 4.4047 9.3007 126.7715 58.3199 39.8135 176.8696 121 E 4.4962 8.3516 116.6817 57.0473 31.1035 180.2316 122 E 4.7242 8.3997 114.2420 56.3947 32.5308 174.5854 123 T 4.3922 8.0986 115.8046 60.9862 68.4522 172.9210 124 P 4.3611 0.0000 0.0000 62.4478 32.0905 177.4744 125 E 3.9780 8.9121 122.3525 59.1833 29.7768 177.1230 126 N 4.8421 7.9460 114.7491 52.7389 38.2110 176.4001 127 L 3.8512 7.7414 123.3116 59.5814 41.9306 178.1683 128 M 3.6194 7.5985 117.1330 58.8387 31.9824 177.9299 129 E 4.0169 8.2842 118.6421 59.1205 29.5972 179.4442 130 V 3.5081 7.5642 117.8521 66.0449 31.6889 177.6871 131 F 3.5660 7.9895 117.4227 60.5497 38.5740 177.7032 132 S 4.2523 8.0273 112.4515 61.3365 62.0025 175.8334 133 E 3.8524 8.2379 121.2223 59.3604 29.5910 178.5172 134 L 3.7029 7.6446 118.9780 57.7971 41.4821 179.6147 135 T 3.8096 7.9195 115.6054 66.5747 68.2028 176.5355 136 A 4.0024 7.8228 121.5128 54.8383 18.4375 178.9669 137 L 4.0408 7.5499 115.4627 54.5139 42.8863 176.4321 138 A 3.9804 8.1659 121.4248 51.2585 16.3555 174.1827 139 P 4.5591 0.0000 0.0000 61.9374 33.0731 176.7601 140 R 4.1223 8.5614 118.4833 59.1294 30.6080 176.9386 141 V 4.3609 7.9890 117.9539 61.0522 35.4381 174.1727 142 V 4.3943 8.2285 127.9630 61.4388 33.0470 174.1927 143 K 5.5556 8.8202 130.1310 53.9655 34.6392 174.7069 144 I 4.9861 8.2147 127.0587 59.3757 40.9809 174.0636 145 A 5.0371 8.8508 128.6321 50.1911 21.7580 175.2365 146 V 4.6689 8.4677 114.9701 59.7085 36.5564 174.2286 147 M 4.6979 8.0857 122.6028 53.2144 33.7329 173.5854 148 P 4.6107 0.0000 0.0000 62.4714 32.5396 176.1380 149 K 4.3894 9.1868 119.9475 56.8341 33.0428 175.4250 150 N 4.9893 7.6420 114.7054 50.4839 40.4791 174.8235 151 E 3.7913 8.7796 116.6694 59.6254 29.3733 179.0691 152 Q 3.9658 8.1072 119.1643 59.3130 29.0382 177.9284 153 D 4.4275 8.7011 120.1761 57.3479 40.8400 179.0682 154 V 3.5615 7.3441 118.1922 66.1411 31.6316 178.1291 155 L 4.0062 7.8559 118.6443 57.7883 41.3195 179.3448 156 D 4.1083 8.5445 119.3647 57.1247 40.8479 178.4354 157 L 4.1977 7.9906 120.8319 58.5543 42.2032 178.9845 158 M 4.0605 8.0541 118.5450 58.4381 31.8397 178.3303 159 N 4.1992 8.5079 117.5452 56.8693 39.0233 176.5393 160 Y 4.0677 8.0359 118.5479 61.1472 37.7529 178.7443 161 T 3.6488 7.7013 116.4973 66.7075 68.5685 176.7459 162 R 4.2540 7.3310 121.7557 58.6064 30.0343 178.7217 163 G 3.4394 8.1850 105.8829 47.9368 0.0000 175.8034 164 F 3.9302 8.2873 120.8807 59.6834 38.6288 177.8449 165 K 4.1047 8.1024 119.6815 59.6831 31.7262 179.1202 166 T 3.9048 7.8992 115.6161 66.6128 68.4502 176.4843 167 L 4.2350 7.7385 119.8981 56.3574 43.1652 177.2881 168 N 5.1245 8.2712 116.1009 50.5917 38.8298 173.1000 169 P 4.6092 0.0000 0.0000 64.6705 32.1152 178.0927 170 N 4.5982 8.0922 114.0004 53.4394 39.1271 174.2913 171 Q 4.2266 7.8985 121.6642 54.6594 30.0398 174.1715 172 E 4.2538 8.3778 125.1860 56.2884 31.0876 175.1949 173 Y 5.0193 8.5212 120.7959 56.0832 42.1472 174.7663 174 V 4.7714 8.9009 122.9232 61.4372 34.3438 174.3417 175 T 5.8071 8.8630 117.4219 59.5641 72.4353 173.0424 176 M 4.5463 8.1859 116.1138 54.6115 34.2994 173.1758 177 S 4.9761 8.8172 117.2849 57.3037 64.0625 173.8692 178 M 4.5663 9.1110 128.3324 55.5125 33.3469 176.7526 179 S 4.2265 8.7945 113.6730 58.8617 63.0744 171.2020 180 K 3.8930 8.5739 124.3658 60.1238 30.9619 178.2568 181 L 4.2868 7.4775 119.1886 57.4410 42.2340 178.4024 182 G 4.1553 7.7264 104.6316 43.7787 0.0000 175.2597 183 R 3.9666 7.8360 121.7696 59.6699 30.1375 178.6025 184 I 3.7109 7.8921 118.9460 64.5359 36.8337 178.2957 185 S 4.1851 7.9784 114.1346 61.4668 62.6877 176.5632 186 R 4.1745 7.9174 121.0881 58.9896 30.0240 178.5776 187 L 4.2049 7.9708 117.1590 56.9296 41.8357 177.9285 188 A 4.5872 7.9719 119.7639 51.9089 19.2500 178.5965 189 A 4.0031 8.1294 124.3911 57.0710 18.2676 180.3271 190 D 4.3262 8.0965 116.3979 57.4500 40.7848 178.4959 191 L 4.0506 7.9383 119.5128 58.0160 42.1659 177.9153 192 I 3.9302 8.0810 110.9774 61.6973 38.0932 177.0659 193 G 4.0628 7.8881 108.0929 45.5865 0.0000 172.7722 194 S 4.8055 7.8471 114.4492 56.9558 62.9692 174.4750 195 S 4.4429 9.1237 125.0260 60.5903 63.0503 174.4504 196 W 6.1426 8.0214 117.0405 55.1980 32.7781 174.8296 197 T 4.9397 8.5812 115.2352 60.5246 70.1017 172.8240 198 F 5.2343 9.2389 126.0986 56.4437 40.1014 175.0200 199 A 5.1251 8.5254 124.9446 50.0190 21.7421 175.1441 200 S 4.5236 8.6703 115.3358 56.8520 65.2233 174.2274 201 L 4.2143 8.3970 126.0166 56.1229 41.9263 177.4631 *209 Q 4.2483 7.8447 116.0429 54.1570 28.5517 176.6689 210 I 4.7302 7.4967 116.3929 57.5030 41.0016 175.8933 211 S 4.8523 8.4206 119.6446 57.3483 65.2087 175.0880 212 L 3.9084 8.5189 124.1887 58.1059 41.6545 179.0921 213 A 3.9647 7.9454 120.2254 55.5403 18.3481 179.2726 214 D 4.3325 8.1477 117.2327 57.5935 40.7658 178.7303 215 M 4.0378 8.2936 118.9246 58.7370 32.2757 178.5687 216 R 3.9218 8.1033 118.3280 58.8400 30.2111 178.9422 217 K 3.9095 7.8770 119.2985 59.7570 32.2028 179.0652 218 I 3.7802 8.0803 120.3215 64.0186 36.9399 178.3818 219 K 3.8934 8.3354 119.8193 59.6942 31.8341 178.9479 220 E 3.9640 8.0139 118.3909 59.4180 29.1769 179.5473 221 V 3.5846 7.6066 116.8108 66.2430 31.6899 177.8882 222 L 4.1528 8.0308 117.3837 57.5010 41.5264 178.5762 223 D 4.5466 8.1229 117.1366 54.7718 41.4023 176.9956 224 A 4.1115 7.1617 124.5213 52.2841 19.0800 177.7982 225 N 4.5218 8.7459 116.2902 52.8175 37.5503 175.5071 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 -23 S 8.28 4.45 0.00 3.96 3.44 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 -22 S 8.58 4.07 0.00 3.90 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 -21 G 9.04 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 -20 L 8.17 4.07 0.00 1.54 1.61 0.81 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 -19 V 7.45 4.70 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 1.48 0.00 0.00 0.69 0.00 0.00 -18 P 0.00 4.31 0.00 2.22 1.96 0.00 4.06 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 -17 R 8.28 3.92 0.00 1.99 1.80 0.00 3.30 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.20 0.00 -23 S 8.28 4.45 0.00 3.96 3.44 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 -22 M 8.55 4.08 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 -21 K 9.00 4.23 0.00 1.65 1.57 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.36 7.81 -20 I 8.01 3.90 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 2.03 0.91 0.00 0.00 -19 V 7.45 4.70 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 1.48 0.00 0.00 0.69 0.00 0.00 -18 V 8.23 4.01 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 0.93 0.00 0.00 0.93 0.00 0.00 -17 P 0.00 4.00 0.00 2.42 1.98 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 7 V 8.91 4.43 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 0.71 0.00 0.00 0.84 0.00 0.00 8 M 7.92 4.98 0.00 0.51 1.36 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.01 0.00 9 P 0.00 4.53 0.00 2.36 2.05 0.00 3.98 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.93 0.00 10 Q 8.83 4.57 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 11 N 7.32 4.62 0.00 2.96 2.93 0.00 0.00 5.85 7.85 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 12 I 8.08 3.73 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 1.61 1.29 0.92 0.00 0.00 13 E 8.10 3.93 0.00 2.13 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 2.31 2.45 0.00 14 E 8.94 4.21 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 15 A 7.96 3.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.09 4.37 0.00 2.65 2.82 0.00 0.00 7.06 7.28 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 17 Q 7.47 4.35 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 18 L 6.98 3.89 0.00 1.50 1.65 1.07 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.54 4.58 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.30 4.47 0.00 1.77 1.68 0.88 0.64 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 21 T 8.43 3.83 4.44 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 1.21 0.00 0.00 22 R 7.79 4.37 0.00 1.82 1.83 0.00 3.26 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.20 0.00 23 I 7.30 4.30 1.90 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 1.37 1.27 0.87 0.00 0.00 24 D 8.84 4.98 0.00 2.89 2.79 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 25 S 8.55 4.15 0.00 3.95 4.02 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 0.00 0.00 0.00 26 T 8.90 4.34 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 27 D 7.93 4.89 0.00 2.68 2.53 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 0.00 0.00 0.00 0.00 28 I 7.91 4.27 1.22 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.19 0.49 0.00 0.00 29 I 8.36 4.36 1.37 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.09 -0.20 0.00 0.00 30 E 8.20 4.79 0.00 1.88 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 2.33 2.35 0.00 31 W 9.11 4.87 0.00 3.25 3.08 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 0.00 0.00 0.00 32 R 8.94 4.71 0.00 1.96 2.04 0.00 3.35 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 33 A 7.86 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.71 4.47 0.00 2.72 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 35 Y 7.89 4.12 0.00 3.10 3.12 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 36 L 7.62 4.93 0.00 1.81 1.65 1.31 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.05 3.86 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 0.79 0.00 0.00 0.95 0.00 0.00 38 K 8.95 3.80 0.00 1.83 1.90 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.53 7.81 39 D 8.10 4.69 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.10 4.96 0.00 2.88 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 41 I 7.65 3.92 1.99 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 1.55 0.96 1.06 0.00 0.00 42 L 8.03 4.30 0.00 1.72 1.86 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.03 4.13 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 1.28 0.00 0.00 44 V 8.12 3.83 2.39 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 0.97 0.00 0.00 1.08 0.00 0.00 45 A 8.17 3.66 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.21 2.24 0.00 3.75 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 47 A 7.79 3.88 1.24 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 0.00 0.00 0.00 48 I 7.09 3.19 0.67 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.36 -0.17 0.00 0.00 49 F 7.59 4.25 0.00 2.81 3.08 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 0.00 0.00 0.00 50 E 8.13 4.08 0.00 2.22 1.85 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 2.32 2.44 0.00 51 K 7.81 3.64 0.00 1.37 1.43 0.00 1.23 0.00 0.00 1.30 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.21 7.81 52 F 7.68 4.93 0.00 3.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.17 4.43 0.00 3.97 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.08 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 0.00 0.00 0.00 55 H 7.75 5.00 0.00 3.38 3.20 0.00 5.86 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 56 E 8.57 4.48 0.00 1.95 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 2.64 2.36 0.00 57 V 9.33 4.88 2.36 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 1.05 0.00 0.00 0.97 0.00 0.00 58 I 8.92 5.08 1.93 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 1.11 0.00 0.00 59 F 9.40 5.07 0.00 3.43 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.07 4.58 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 61 L 8.22 4.67 0.00 1.33 1.71 0.62 0.84 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 62 R 8.30 4.51 0.00 1.91 2.07 0.00 3.28 0.00 0.00 3.58 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 63 T 8.94 5.35 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 1.26 0.00 0.00 64 E 8.41 4.39 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 65 K 7.55 4.23 0.00 1.93 1.83 0.00 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0.00 1.52 1.55 0.77 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 116 S 9.23 5.39 0.00 3.95 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 0.00 117 Y 8.77 5.50 0.00 3.22 2.82 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 0.00 118 H 8.89 4.89 0.00 3.07 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.47 4.75 0.00 2.35 2.55 0.00 0.00 6.72 7.95 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 0.00 120 F 9.30 4.40 0.00 2.95 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 0.00 121 E 8.35 4.50 0.00 1.97 1.83 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 2.14 1.83 0.00 122 E 8.40 4.72 0.00 2.02 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 2.23 2.25 0.00 123 T 8.10 4.39 4.28 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 1.30 0.00 0.00 124 P 0.00 4.36 0.00 2.26 1.99 0.00 3.70 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 2.29 2.17 0.00 125 E 8.91 3.98 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 126 N 7.95 4.84 0.00 2.89 2.99 0.00 0.00 5.86 6.67 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 0.00 127 L 7.74 3.85 0.00 1.95 1.63 1.03 1.46 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 0.00 128 M 7.60 3.62 0.00 2.09 1.82 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.83 0.00 129 E 8.28 4.02 0.00 2.30 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 2.33 2.19 0.00 130 V 7.56 3.51 2.12 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 0.91 0.00 0.00 0.74 0.00 0.00 131 F 7.99 3.57 0.00 2.36 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.66 1.74 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 182 G 7.73 4.16 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 0.00 183 R 7.84 3.97 0.00 2.00 2.03 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 184 I 7.89 3.71 1.88 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 1.70 1.08 0.92 0.00 0.00 185 S 7.98 4.19 0.00 4.06 4.02 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 0.00 0.00 0.00 186 R 7.92 4.17 0.00 2.03 2.08 0.00 3.20 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 187 L 7.97 4.20 0.00 1.75 1.75 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 188 A 7.97 4.59 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 0.00 189 A 8.13 4.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.33 0.00 2.73 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 0.00 191 L 7.94 4.05 0.00 1.59 1.88 0.92 1.01 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 0.00 192 I 8.08 3.93 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.80 0.94 0.00 0.00 193 G 7.89 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 S 7.85 4.81 0.00 3.94 3.86 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 0.00 195 S 9.12 4.44 0.00 3.25 3.81 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 0.00 196 W 8.02 6.14 0.00 3.33 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 0.00 197 T 8.58 4.94 4.36 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 1.28 0.00 0.00 198 F 9.24 5.23 0.00 2.91 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 A 8.53 5.13 1.22 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 0.00 0.00 0.00 200 S 8.67 4.52 0.00 3.95 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 0.00 201 L 8.40 4.21 0.00 1.59 1.66 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 *209 Q 7.84 4.25 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.46 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 210 I 7.50 4.73 1.89 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 1.50 0.40 0.94 0.00 0.00 211 S 8.42 4.85 0.00 4.08 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 L 8.52 3.91 0.00 1.78 1.70 0.89 1.03 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 0.00 213 A 7.95 3.96 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 0.00 214 D 8.15 4.33 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 M 8.29 4.04 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 216 R 8.10 3.92 0.00 2.09 1.97 0.00 3.23 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 217 K 7.88 3.91 0.00 1.83 1.99 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 218 I 8.08 3.78 1.89 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 1.53 0.81 0.93 0.00 0.00 219 K 8.34 3.89 0.00 2.06 1.89 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.68 7.81 220 E 8.01 3.96 0.00 2.30 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 2.34 2.56 0.00 221 V 7.61 3.58 2.24 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 0.84 0.00 0.00 0.99 0.00 0.00 222 L 8.03 4.15 0.00 1.79 1.73 0.96 1.40 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 0.00 223 D 8.12 4.55 0.00 2.75 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 0.00 224 A 7.16 4.11 1.26 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 0.00 0.00 0.00 225 N 8.75 4.52 0.00 2.75 2.62 0.00 0.00 6.57 7.56 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 * Residues marked with a * may have inaccurate shift predictions.