NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7124 8.5445 117.8338 54.7391 29.5834 174.7776 3 N 4.6187 9.9458 127.3611 52.8081 37.4895 177.1696 4 K 4.3702 7.9057 120.1639 55.8622 33.5528 182.5767 5 K 4.2859 8.3662 118.2855 55.3714 33.1431 170.9008 6 F 3.9727 8.8735 127.5434 57.9854 38.1540 174.3007 7 D 4.5639 7.8760 126.5663 52.2007 44.1108 175.9385 8 R 3.8157 8.4765 127.1085 59.1009 30.8486 178.5658 9 S 4.1253 8.6201 112.5529 61.7888 63.1349 176.9601 10 E 3.8801 6.9062 117.6690 58.4894 29.1497 177.6201 11 H 4.6885 7.7908 113.1651 55.2563 30.3786 174.2319 12 V 3.9298 8.1754 120.8559 61.9300 31.7875 174.2877 13 Y 4.4614 8.6665 131.0820 56.7728 39.7000 175.2923 14 R 4.2926 7.7207 124.5681 54.3130 32.8454 171.1045 15 N 4.7020 8.1526 120.9432 49.7088 40.1625 173.8439 16 D 4.4250 8.7226 126.9103 57.3178 40.8809 178.4729 17 S 4.4137 7.9723 112.4050 60.0845 63.1287 175.9850 18 F 4.1883 8.5953 125.6934 61.4286 39.0823 176.5093 19 L 3.8178 7.6721 117.1427 58.2389 41.5378 179.5676 20 E 3.9904 8.0451 117.5986 58.9903 29.4415 179.2609 21 L 3.8945 7.5176 119.0265 57.8581 41.7100 179.6315 22 I 3.6683 7.1549 113.0137 63.4269 37.4424 177.6852 23 K 3.7283 7.7723 121.6160 59.7647 31.8676 178.0636 24 D 4.3255 7.9917 117.5035 57.0983 41.1480 177.9748 25 A 4.0814 7.9427 121.3233 55.3977 18.4229 179.7341 26 V 3.7428 8.1701 117.0776 66.2101 31.3118 178.2572 27 R 3.9700 7.7641 117.3553 59.2184 30.2720 177.8436 28 F 4.1634 8.3724 120.5324 61.3047 39.3420 176.4889 29 F 3.9360 8.8807 120.5222 61.7736 39.0388 177.2097 30 S 4.3351 8.7208 113.9835 60.9512 62.7791 176.0700 31 G 3.7443 7.3702 106.2615 43.8702 0.0000 174.0562 32 T 3.7760 6.8254 111.8683 59.8342 69.6600 172.8615 33 P 4.0883 0.0000 0.0000 62.4938 31.8636 176.2300 34 V 3.7231 7.9314 123.0498 63.1827 32.1972 174.6884 35 H 5.0908 9.1258 124.1241 53.5286 33.0878 173.2343 36 S 4.5537 8.8459 115.9119 58.5712 64.1203 173.1277 37 L 4.5957 8.4379 122.1346 52.6835 42.5634 174.1130 38 P 4.7236 0.0000 0.0000 60.8010 32.9101 174.0546 39 P 4.5391 0.0000 0.0000 61.9180 31.8018 175.7961 40 P 4.3583 0.0000 0.0000 65.4436 30.9722 175.8223 41 E 4.8051 7.6262 114.1751 54.2810 33.2391 175.1913 42 R 4.3648 8.2529 119.1498 55.6142 31.5441 175.8745 43 F 4.8959 7.3913 112.9123 56.2607 40.3400 173.2702 44 Q 4.4893 10.1286 120.7860 54.0795 30.2990 175.0512 45 G 4.4786 7.0385 108.1136 43.5752 0.0000 171.9269 46 A 5.2223 9.1014 123.1239 49.4262 22.7655 176.8658 47 G 4.5595 7.5186 106.2020 46.5516 0.0000 171.8869 48 V 5.2706 8.4388 122.5497 61.4853 35.6313 175.0649 49 F 5.9223 8.7570 118.3537 56.1068 42.0375 172.7375 50 A 4.9642 9.7805 120.4449 50.5163 22.6652 175.0849 51 L 5.2762 8.9036 122.1621 53.5678 44.2221 175.3609 52 Y 4.8553 10.0089 120.6024 56.2884 41.8204 173.7617 53 Y 4.6642 8.2609 123.6740 55.8108 40.9089 175.0847 54 T 4.3341 7.6248 113.8100 61.2519 70.6143 174.8790 55 G 3.5484 5.3800 111.2130 45.4782 0.0000 174.0452 56 H 5.1576 8.6350 119.1485 55.3995 30.1475 173.0220 57 Y 4.3496 8.4663 121.3654 58.0385 39.2176 176.8974 58 S 3.9505 8.2816 122.6900 61.9760 62.5279 176.9864 59 L 3.8940 6.5663 120.6978 56.3510 41.5894 177.9620 60 Y 5.0599 7.8754 114.9102 57.6200 38.2933 176.6052 61 D 4.4601 7.8520 122.0048 58.1650 41.1162 178.5701 62 E 3.6375 7.6741 118.0983 59.6974 29.3275 178.9807 63 Y 4.3478 7.8132 116.7807 61.2863 37.8234 179.0021 64 S 4.2606 8.0095 113.3613 60.7838 63.0878 176.3248 65 R 4.1628 7.6705 121.6885 58.7115 30.1646 178.2089 66 I 3.6750 7.8148 118.6424 64.6377 37.0927 176.9120 67 N 5.4706 8.9666 118.2809 53.2725 38.5056 177.7934 68 R 3.9884 8.3989 119.8430 58.9851 29.2914 181.3055 69 K 4.3844 7.7217 114.3588 56.2209 33.9744 176.0833 70 A 4.4265 6.9781 120.8085 51.0223 22.2472 175.6195 71 Y 4.6199 7.9078 119.2299 57.7031 35.8013 175.4573 72 N 4.5113 8.0571 120.2439 54.6172 39.7475 175.0884 73 L 4.6437 7.7947 120.7278 52.6917 43.1093 174.5202 74 P 3.8295 0.0000 0.0000 62.4170 31.9839 176.1223 75 I 3.8888 7.8683 121.1123 62.1140 39.2967 174.4764 76 Y 4.9943 7.1403 121.2969 56.6024 42.2316 173.2247 77 V 4.2393 7.3723 124.8527 61.2377 34.6940 174.5508 78 G 4.3482 6.9028 113.9453 45.4436 0.0000 170.7418 79 K 5.3700 8.5611 117.7359 55.9886 36.2935 175.4104 80 A 4.6855 9.3144 121.9012 50.6151 22.1218 176.0661 81 V 4.2396 8.5118 122.8042 61.3611 32.9488 174.1615 82 P 4.4445 0.0000 0.0000 62.2666 31.7888 176.4015 83 A 3.8959 9.0695 126.5552 53.3944 19.2586 177.9548 84 G 3.7702 8.9150 114.4895 46.0287 0.0000 172.2938 *85 W 4.2208 7.2389 118.7246 56.3410 32.2684 177.2505 86 R 4.2390 8.8566 115.8209 60.7294 30.2933 174.2309 87 Q 4.6803 7.7088 113.3158 55.5783 27.3601 185.0000 88 S 4.6946 8.9480 114.6927 59.7914 61.2786 176.6626 89 R 4.8491 8.0050 108.0693 58.5706 30.6509 172.8768 90 I 3.7241 7.5692 122.0883 61.7978 36.4695 178.2299 91 S 4.9015 7.7562 119.4707 57.0642 64.8940 175.5031 *92 D 4.2586 8.2640 130.2296 53.1137 43.4354 174.7775 *93 H 4.5324 8.8597 116.4771 56.1354 26.7999 169.8468 *94 E 3.7299 8.6404 125.3732 56.2330 25.8213 174.2448 *95 T 4.7206 7.7135 122.1310 60.1538 70.1858 176.3427 *96 R 4.9117 7.3704 121.3397 56.7078 31.1407 173.9888 97 A 4.0755 8.3569 124.8587 51.7554 18.6585 178.0317 98 G 4.0685 8.4216 113.0184 44.8331 0.0000 172.2552 99 S 4.9759 7.9452 109.4260 56.0786 62.6909 174.4331 100 E 4.0312 7.8747 122.7276 59.3526 30.1950 178.8993 101 L 3.9215 8.1194 121.7918 58.0447 42.3906 178.5889 102 S 3.3532 7.4381 112.4781 61.1836 62.0907 175.4720 103 N 4.1178 7.6398 118.8137 56.4620 38.3188 177.3042 104 R 3.7637 7.7738 118.9980 59.5559 30.1955 179.0934 105 I 3.3417 7.5232 119.2733 64.4758 36.9379 178.7875 106 R 3.9612 7.8794 120.9311 59.7383 29.8492 179.5818 107 E 3.9283 8.0085 118.2579 61.1444 29.6183 181.5533 108 H 4.3118 8.0954 116.4872 58.7079 28.7957 177.7662 109 G 3.8253 8.2333 107.7045 48.3019 0.0000 175.8536 110 R 3.9953 8.0687 119.6914 58.7798 30.2783 178.6727 111 N 4.5311 8.2229 116.3966 56.4912 38.6567 177.5729 112 I 3.9296 8.0841 120.9594 64.2324 36.9064 178.2030 113 A 4.1765 7.8240 120.5465 54.2120 18.2922 178.8893 114 K 4.2410 7.9551 115.7406 56.7187 32.7161 177.3270 115 T 4.4231 6.9633 109.5982 61.0359 69.7735 174.7899 116 S 4.3787 8.2741 117.4104 59.9630 63.6861 174.9107 117 N 4.6879 7.8962 115.4479 52.4952 37.9032 174.4641 118 L 4.8890 7.3627 117.9939 52.9421 44.8627 175.2340 119 D 4.9799 8.7865 120.4508 52.1368 43.2490 176.2117 120 L 4.2903 8.9420 129.1430 58.6139 42.1051 178.5350 121 C 4.3258 8.4371 114.9325 62.0845 28.1978 173.9586 122 D 4.6424 8.8480 119.2968 54.1344 40.8291 175.5138 123 F 5.5129 8.3345 118.3020 55.8009 41.9798 174.4221 124 S 5.0827 9.4582 116.3743 57.3935 67.2118 171.9916 125 C 5.8809 9.5108 113.2561 56.9849 33.1754 173.2360 126 R 5.0928 8.9310 118.2204 54.7371 33.5323 174.5186 127 F 5.7227 7.7349 114.3538 56.0436 41.2132 173.5546 128 V 4.5873 9.3276 119.3939 61.4473 34.8900 174.0830 129 I 4.9976 8.6397 128.3151 60.4525 38.5357 175.0090 130 F 4.7192 9.1315 126.0677 55.5169 40.4874 175.7568 131 E 4.0840 9.3337 123.3657 56.7132 32.1157 181.8572 132 A 3.3579 8.4399 119.7897 52.4176 20.0894 178.5474 133 T 4.2532 9.2505 113.3258 62.4328 69.8720 175.9028 134 G 4.0870 8.2720 111.6359 45.8501 0.0000 175.9219 135 S 4.1913 8.0042 115.8250 61.4449 62.4222 175.9911 136 D 4.3696 8.2139 121.4408 57.9700 40.8897 178.6940 137 M 4.1562 8.1005 118.1283 57.5546 31.7979 178.5823 138 I 2.7928 7.3297 120.7721 64.5389 37.2188 178.2105 139 S 4.0742 7.9643 114.9432 61.9167 62.4974 177.0545 140 T 3.9229 7.7072 118.3679 66.4224 68.2482 177.1041 141 V 3.5728 7.7112 119.5962 66.0938 31.6752 176.9433 142 E 3.7019 8.1234 118.7024 59.5770 29.2654 178.5682 143 A 3.9019 8.2987 120.2312 55.2737 18.4335 179.1592 144 A 3.9390 8.1371 119.1204 55.6033 18.4321 179.8686 145 L 3.9676 8.0507 117.3049 58.0588 41.5742 179.9363 146 I 3.7486 7.7658 119.7566 64.2398 36.8158 178.4601 147 K 3.9615 8.0819 119.6742 59.1705 32.0336 178.9103 148 I 3.6921 8.0470 120.0034 64.3380 37.2647 177.4290 149 Y 4.3681 8.3413 115.2355 57.3886 39.4302 175.7148 150 K 3.9453 8.0940 118.8548 56.9760 30.3423 172.7992 151 P 4.6099 0.0000 0.0000 61.8729 32.8798 178.0540 152 L 3.4306 8.3677 122.4075 57.9362 42.0274 178.8672 153 W 5.1226 8.2587 115.6466 57.4279 29.3857 176.6018 154 N 4.9074 8.1324 115.4157 53.8540 38.9831 175.8581 155 T 4.5993 7.9931 105.5268 61.2355 71.0560 174.5531 156 V 4.2080 8.0430 118.7305 63.8633 33.6092 175.9044 157 V 4.4027 7.9153 121.7787 60.6517 30.6495 174.3571 158 D 4.5681 8.0304 123.8593 54.6566 41.7870 176.9121 159 G 4.5318 9.0649 107.6954 47.3656 0.0000 176.1414 160 F 2.9481 8.0685 121.7780 60.7177 39.2507 176.4537 161 G 3.7110 7.9146 107.5700 47.4872 0.0000 173.2703 162 N 4.2655 7.8110 119.2077 53.4309 38.7475 174.9087 163 H 4.6923 8.2406 120.4851 54.9540 29.6996 174.9339 164 T 2.0000 7.6693 115.0078 61.4936 67.1815 172.3228 165 P 3.9730 0.0000 0.0000 63.2725 31.7154 177.6073 166 G 3.8233 7.7884 103.0727 44.3804 0.0000 172.3612 167 A 4.2334 8.0806 121.3121 53.1005 18.9001 178.8772 168 G 4.2179 9.1458 108.1158 45.8763 0.0000 174.9057 169 R 4.5325 7.7331 118.3785 55.6627 31.0539 177.5589 170 F 4.5399 8.2041 115.3593 59.4157 38.2053 176.3038 171 A 4.3993 7.2036 120.6054 52.9883 19.8160 177.4888 172 Q 4.1540 7.8272 113.7415 55.6726 30.1211 175.8441 173 A 4.6420 8.4509 122.5129 51.6044 19.1292 177.7166 174 K 4.4567 8.7992 120.9125 57.0580 33.9241 176.2556 175 S 4.8185 8.5100 115.1238 57.1361 65.4453 174.5932 176 D 4.4636 9.1085 121.9601 57.7960 40.6003 178.9697 177 W 3.9923 8.6232 128.6393 60.9716 30.4126 177.4526 178 D 4.4884 8.4274 117.3569 57.4177 40.3528 178.9237 179 V 3.6420 7.8113 119.2590 64.5619 31.4458 177.9204 180 I 3.9505 7.3295 111.5578 61.1362 39.2695 175.5619 181 H 4.6328 7.4431 117.5227 53.3170 28.5672 171.6607 182 P 4.2620 0.0000 0.0000 62.5476 32.4516 176.8075 183 G 4.0573 8.0620 107.8918 43.9300 0.0000 172.6620 184 R 4.0417 8.2536 124.9230 55.4326 30.9687 177.5761 185 E 3.9520 8.8551 122.1494 59.2965 29.8783 179.4991 186 W 4.3050 8.0215 115.8816 59.1618 28.1956 177.8606 187 A 3.9152 6.7106 121.6889 55.3810 17.4818 179.3144 188 E 4.1114 7.6784 115.9855 58.9173 29.7646 178.2424 189 K 4.4055 7.6560 115.8612 56.0459 32.5019 176.2732 190 C 4.7846 8.0780 119.4112 59.0432 28.7984 173.5252 191 T 4.5541 8.4469 113.3196 60.9165 69.3723 174.0160 192 G 3.9583 7.8171 109.8438 45.7476 0.0000 173.1954 193 V 4.1690 8.2235 120.3775 62.3740 31.8911 174.8878 194 H 5.1069 8.3100 123.0151 53.3951 31.3425 174.4570 195 S 4.1384 8.6819 115.3505 58.8354 63.3518 173.9182 196 E 4.6544 8.4545 124.2046 54.2347 31.4294 174.8371 197 P 4.3111 0.0000 0.0000 66.3588 31.3627 178.1586 198 Y 4.0397 8.1019 117.6440 60.8277 38.5767 177.9227 199 F 4.3607 8.1239 119.9083 61.6936 39.8236 176.4321 200 I 3.7213 8.2536 118.5634 64.9651 37.0764 177.6205 201 E 3.9257 9.1630 119.3178 60.0128 29.4707 179.7123 202 E 3.9227 8.6701 118.4849 59.3544 29.4785 179.6385 203 R 3.9210 8.0671 118.4967 58.8076 30.0064 178.7509 204 I 3.7785 7.8343 119.3307 64.7117 37.3140 178.2869 205 K 4.1517 7.9920 118.4925 59.6474 31.7566 179.2300 206 Q 4.0249 8.0712 119.7711 59.0638 28.6851 177.6616 207 Y 3.9274 7.8041 120.0493 60.4243 38.9087 177.1174 208 F 4.5624 7.6463 115.2689 57.0167 39.1507 176.5240 209 S 3.8709 7.8460 115.2395 59.4334 61.0992 172.1518 210 K 4.2439 7.9977 127.1923 54.6901 32.4149 180.3716 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 H 8.54 4.71 0.00 3.20 3.07 0.00 5.70 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 3 N 9.95 4.62 0.00 2.99 2.96 0.00 0.00 6.47 6.56 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 4 K 7.91 4.37 0.00 1.77 1.63 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.00 7.81 5 K 8.37 4.29 0.00 1.72 1.61 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.27 0.98 7.81 6 F 8.87 3.97 0.00 2.94 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 7 D 7.88 4.56 0.00 2.67 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.48 3.82 0.00 1.90 1.89 0.00 3.29 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 9 S 8.62 4.13 0.00 4.05 4.08 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 10 E 6.91 3.88 0.00 1.96 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 2.47 2.38 0.00 11 H 7.79 4.69 0.00 3.22 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.18 3.93 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 0.72 0.00 0.00 0.93 0.00 0.00 13 Y 8.67 4.46 0.00 2.91 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 14 R 7.72 4.29 0.00 1.80 1.63 0.00 3.26 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 15 N 8.15 4.70 0.00 2.25 2.71 0.00 0.00 7.17 8.49 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 16 D 8.72 4.43 0.00 2.72 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 17 S 7.97 4.41 0.00 4.15 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 0.00 0.00 0.00 18 F 8.60 4.19 0.00 3.13 3.24 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 19 L 7.67 3.82 0.00 1.81 1.70 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.05 3.99 0.00 2.10 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 2.33 0.00 21 L 7.52 3.89 0.00 1.64 1.64 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.15 3.67 1.72 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.36 0.91 0.00 0.00 23 K 7.77 3.73 0.00 1.94 2.00 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.46 7.81 24 D 7.99 4.33 0.00 2.97 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 25 A 7.94 4.08 1.45 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 0.00 0.00 26 V 8.17 3.74 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.95 0.00 0.00 27 R 7.76 3.97 0.00 1.97 2.02 0.00 3.41 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 28 F 8.37 4.16 0.00 3.24 3.27 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 29 F 8.88 3.94 0.00 3.34 3.39 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 30 S 8.72 4.34 0.00 3.96 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.37 3.74 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 32 T 6.83 3.78 3.72 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 2.24 2.22 0.00 108 H 8.10 4.31 0.00 3.43 3.71 0.00 5.61 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 0.00 109 G 8.23 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 0.00 110 R 8.07 4.00 0.00 1.88 2.00 0.00 3.16 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 111 N 8.22 4.53 0.00 2.81 2.86 0.00 0.00 7.00 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 0.00 112 I 8.08 3.93 1.93 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.24 0.74 0.00 0.00 113 A 7.82 4.18 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 0.00 114 K 7.96 4.24 0.00 2.00 1.87 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.59 7.81 115 T 6.96 4.42 4.09 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 1.17 0.00 0.00 116 S 8.27 4.38 0.00 4.01 3.99 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 0.00 0.00 0.00 117 N 7.90 4.69 0.00 2.56 2.92 0.00 0.00 5.82 7.79 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 0.00 118 L 7.36 4.89 0.00 1.74 1.96 0.74 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.79 4.98 0.00 2.80 2.89 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 0.00 120 L 8.94 4.29 0.00 1.83 1.77 0.95 1.10 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 0.00 121 C 8.44 4.33 0.00 3.28 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 0.00 122 D 8.85 4.64 0.00 2.99 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 0.00 0.00 0.00 123 F 8.33 5.51 0.00 3.20 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 0.00 124 S 9.46 5.08 0.00 3.52 3.85 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 0.00 125 C 9.51 5.88 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 0.00 126 R 8.93 5.09 0.00 1.80 1.17 0.00 3.00 0.00 0.00 2.98 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 127 F 7.73 5.72 0.00 3.34 3.22 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 0.00 128 V 9.33 4.59 2.56 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 0.77 0.00 0.00 1.22 0.00 0.00 129 I 8.64 5.00 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.03 1.06 0.00 0.00 130 F 9.13 4.72 0.00 2.90 3.07 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 0.00 131 E 9.33 4.08 0.00 2.03 1.93 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 2.42 2.26 0.00 132 A 8.44 3.36 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 0.00 133 T 9.25 4.25 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 1.23 0.00 0.00 134 G 8.27 4.09 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 0.00 0.00 0.00 135 S 8.00 4.19 0.00 4.10 4.21 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.21 4.37 0.00 2.67 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 0.00 137 M 8.10 4.16 0.00 2.17 2.34 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.69 0.00 138 I 7.33 2.79 1.67 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 1.02 -0.02 0.85 0.00 0.00 139 S 7.96 4.07 0.00 3.81 3.88 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 0.00 0.00 0.00 140 T 7.71 3.92 4.42 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 0.00 0.00 1.44 0.00 0.00 141 V 7.71 3.57 2.18 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 1.21 0.00 0.00 1.18 0.00 0.00 142 E 8.12 3.70 0.00 2.07 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 2.15 2.34 0.00 143 A 8.30 3.90 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 0.00 144 A 8.14 3.94 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 0.00 145 L 8.05 3.97 0.00 1.68 1.67 0.32 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.77 3.75 1.95 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 1.27 0.69 0.89 0.00 0.00 147 K 8.08 3.96 0.00 1.78 2.00 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 148 I 8.05 3.69 1.51 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.56 0.03 0.00 0.00 149 Y 8.34 4.37 0.00 3.02 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 0.00 150 K 8.09 3.95 0.00 1.89 1.95 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.56 7.81 151 P 0.00 4.61 0.00 2.14 2.01 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 152 L 8.37 3.43 0.00 1.24 1.42 -0.11 1.09 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 0.00 153 W 8.26 5.12 0.00 3.78 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 0.00 154 N 8.13 4.91 0.00 2.75 2.86 0.00 0.00 6.74 7.54 0.00 0.00 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 T 7.99 4.60 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 1.23 0.00 0.00 156 V 8.04 4.21 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 0.86 0.00 0.00 0.95 0.00 0.00 157 V 7.92 4.40 2.44 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 1.08 0.00 0.00 1.13 0.00 0.00 158 D 8.03 4.57 0.00 2.87 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 G 9.06 4.53 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 0.00 0.00 0.00 160 F 8.07 2.95 0.00 1.51 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 0.00 0.00 0.00 0.00 161 G 7.91 3.71 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 0.00 0.00 0.00 162 N 7.81 4.27 0.00 3.02 2.68 0.00 0.00 6.85 9.28 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 0.00 163 H 8.24 4.69 0.00 2.97 3.04 0.00 5.74 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 T 7.67 2.00 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 0.93 0.00 0.00 165 P 0.00 3.97 0.00 1.97 1.97 0.00 3.26 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.66 0.00 166 G 7.79 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 0.00 0.00 0.00 167 A 8.08 4.23 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 0.00 168 G 9.15 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 R 7.73 4.53 0.00 1.91 1.82 0.00 3.23 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 170 F 8.20 4.54 0.00 3.17 3.37 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 0.00 171 A 7.20 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Q 7.83 4.15 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.60 2.38 0.00 173 A 8.45 4.64 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 0.00 174 K 8.80 4.46 0.00 1.83 1.90 0.00 1.50 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.39 7.81 175 S 8.51 4.82 0.00 4.04 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 0.00 176 D 9.11 4.46 0.00 3.01 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 W 8.62 3.99 0.00 3.31 3.20 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 0.00 0.00 0.00 178 D 8.43 4.49 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 V 7.81 3.64 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.98 0.00 0.00 180 I 7.33 3.95 1.69 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 -0.25 0.86 0.00 0.00 181 H 7.44 4.63 0.00 1.40 2.08 0.00 5.66 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 0.00 182 P 0.00 4.26 0.00 2.11 2.05 0.00 3.48 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 183 G 8.06 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 0.00 184 R 8.25 4.04 0.00 0.98 1.27 0.00 3.26 0.00 0.00 2.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 185 E 8.86 3.95 0.00 2.11 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 2.41 2.36 0.00 186 W 8.02 4.31 0.00 3.53 3.34 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 0.00 187 A 6.71 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 7.68 4.11 0.00 1.99 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 2.31 2.39 0.00 189 K 7.66 4.41 0.00 2.06 1.95 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.54 7.81 190 C 8.08 4.78 0.00 3.23 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 0.00 191 T 8.45 4.55 4.33 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 1.35 0.00 0.00 192 G 7.82 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 0.00 0.00 0.00 193 V 8.22 4.17 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 0.77 0.00 0.00 0.91 0.00 0.00 194 H 8.31 5.11 0.00 3.20 3.40 0.00 5.78 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 0.00 195 S 8.68 4.14 0.00 4.07 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 0.00 196 E 8.45 4.65 0.00 2.07 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 2.37 2.45 0.00 197 P 0.00 4.31 0.00 2.26 2.13 0.00 3.77 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 2.15 2.19 0.00 198 Y 8.10 4.04 0.00 3.20 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 0.00 199 F 8.12 4.36 0.00 3.07 3.38 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 0.00 200 I 8.25 3.72 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.79 0.98 0.00 0.00 201 E 9.16 3.93 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 202 E 8.67 3.92 0.00 2.13 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 1.95 2.63 0.00 203 R 8.07 3.92 0.00 1.73 1.83 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.33 0.00 204 I 7.83 3.78 2.15 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 1.34 0.00 0.00 205 K 7.99 4.15 0.00 2.00 1.91 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.63 7.81 206 Q 8.07 4.02 0.00 2.42 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 207 Y 7.80 3.93 0.00 2.94 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 0.00 208 F 7.65 4.56 0.00 3.07 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 0.00 209 S 7.85 3.87 0.00 4.01 3.99 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 0.00 0.00 0.00 210 K 8.00 4.24 0.00 1.76 1.50 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.