NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4305 8.1814 115.2963 58.8113 64.1151 173.8683 4 G 3.9689 8.2482 119.5413 46.8149 0.0000 173.3265 5 N 4.4237 9.1790 125.9458 53.1201 39.6562 173.0557 6 A 4.0125 7.7854 123.3290 51.4168 19.1381 177.1729 7 R 4.6400 8.1902 121.4963 53.9523 33.5737 175.1777 8 I 4.0146 8.3637 123.6915 63.0086 37.5038 176.6244 9 G 3.9679 9.3156 113.6594 45.0719 0.0000 172.8921 10 K 4.7257 7.5803 118.1234 53.2197 36.3351 173.7795 11 P 4.6528 0.0000 0.0000 63.1396 31.5077 176.5233 12 A 4.1414 8.9297 127.0472 51.1226 19.2445 175.6167 13 P 4.0525 0.0000 0.0000 62.7394 31.8330 176.3351 14 D 4.4936 8.5101 122.5950 54.4306 42.0924 174.8132 15 F 5.1915 7.6927 117.7848 55.7850 41.7481 172.8940 16 K 5.1893 8.6820 119.8090 55.5716 35.0553 174.5995 17 A 4.7250 9.0597 127.4567 50.9963 23.4295 175.2843 18 T 4.5567 8.4518 116.3662 63.4529 69.8873 173.8435 19 A 5.1150 9.2268 126.8950 50.1402 23.6892 174.7607 20 V 4.6522 8.6804 119.6929 61.7380 33.2851 175.0573 21 V 4.2870 8.8515 128.4964 61.0998 34.1359 175.2687 22 D 4.1014 9.6588 129.8984 55.6011 38.1651 174.8507 23 G 3.8137 8.4338 103.0891 45.7128 0.0000 172.7835 24 A 4.5430 7.7217 120.6351 49.7470 23.0881 175.2509 25 F 5.5198 8.1819 117.3575 56.5766 40.5609 175.7496 26 K 4.7105 9.0551 123.0859 54.8177 36.1013 174.5602 27 E 4.6934 8.7710 126.3484 55.9480 30.7595 175.7390 28 V 4.7226 8.9988 126.2227 61.0047 34.8727 174.5817 29 K 4.9999 9.2289 125.3494 54.6617 35.9753 176.9879 30 L 3.6844 7.5933 122.4802 58.0306 41.7699 179.5993 31 S 4.1082 7.7950 112.5593 60.7913 63.1394 175.8519 32 D 4.1167 7.7198 120.6252 56.8336 40.6387 176.6490 33 Y 4.4849 7.8978 115.5852 57.1364 38.1167 175.1646 34 K 3.9828 7.3157 121.6276 58.2917 32.4182 177.1965 35 G 4.0505 9.3592 114.7418 45.0435 0.0000 172.9989 36 K 4.9309 8.2811 118.8730 54.5639 36.2647 175.5116 37 Y 4.5850 8.9455 120.0549 57.9785 39.6933 174.8304 38 V 4.7380 8.8031 120.8492 61.2857 35.3409 174.2520 39 V 4.5668 8.9440 128.4347 61.3811 33.1414 174.0067 40 L 4.8407 8.8166 131.9580 53.2685 43.8504 174.8943 41 F 5.4073 8.5840 122.2610 55.1184 40.0181 174.4952 42 F 5.1666 9.9716 122.8907 56.7501 40.7438 174.4142 43 Y 5.0593 8.2994 119.1308 55.0248 40.7796 173.5119 44 P 4.3929 0.0000 0.0000 64.7327 31.7599 176.3712 45 L 4.8486 7.5073 117.9060 52.1707 45.7860 175.7726 46 D 3.3700 9.0700 122.4344 54.9856 41.2875 176.3863 47 F 3.2664 4.0000 117.8854 58.8889 36.3933 175.2379 48 T 3.6704 7.1452 112.2023 60.6527 70.7131 171.7579 49 F 4.8497 7.9168 113.8081 59.8280 41.4298 179.8709 50 V 4.5550 7.6222 120.9962 62.0661 30.8826 176.1246 *52 P 4.0753 0.0000 0.0000 62.5309 33.4284 178.5834 53 T 3.9628 7.3524 108.6326 64.5297 68.5498 176.5104 54 E 3.9223 8.1285 121.1219 59.0323 29.4915 179.1841 55 I 3.8894 7.5518 119.3665 64.5497 37.1870 178.4042 56 I 3.5925 8.0901 120.8340 64.1658 36.8431 178.3910 57 A 3.8863 7.9569 121.6522 55.2188 17.9675 179.7827 58 F 4.0337 7.8218 115.2361 60.4722 39.2995 177.6476 59 S 4.2956 8.4633 113.2002 61.5434 62.0026 176.0012 60 N 4.4171 8.4460 118.4696 55.5868 38.5558 176.5689 61 R 4.5023 7.6901 116.5736 55.8507 30.5454 177.6709 62 A 4.2808 7.8798 122.8732 55.5631 18.2487 179.8931 63 E 4.0195 8.2486 115.4307 59.6747 29.5371 178.9568 64 D 4.3130 7.9555 119.1068 57.2010 41.0476 178.4766 65 F 4.2538 8.2770 117.8467 60.5856 38.9689 177.8548 66 R 4.0464 8.5990 118.1398 59.1107 29.6282 179.0409 67 K 4.1158 8.2606 117.1985 58.2280 32.0244 178.1246 68 L 4.5993 7.8647 118.1836 53.3292 42.5472 176.1520 69 G 3.9367 8.5417 107.6173 47.1444 0.0000 173.2409 70 C 5.5200 8.2235 118.0743 57.3965 34.5478 172.8419 71 E 4.6877 9.3275 126.1264 55.0505 31.3748 175.0099 72 V 4.5929 8.2357 123.1356 61.1037 33.6499 174.7219 73 L 4.5737 8.8088 127.3617 52.8535 45.3721 175.9781 74 G 3.2112 8.0986 110.7085 44.4187 0.0000 172.7528 75 V 4.9438 7.7932 119.1623 60.8783 35.0672 173.0639 76 S 4.6221 8.0135 116.7772 56.6328 66.7579 174.8412 77 V 3.7751 8.2370 111.5870 63.0317 31.3630 176.7220 78 D 4.5387 7.7094 120.7871 53.8143 41.3163 176.1647 79 S 4.2586 8.2458 116.9587 57.8827 65.3743 175.2496 80 Q 3.8042 8.0664 119.9973 58.9270 28.2014 178.4603 81 F 4.3204 7.6739 119.8073 60.7117 39.0850 177.6126 82 T 4.1165 8.1764 115.5119 66.8874 68.1948 176.2778 83 H 4.7788 8.4049 119.7652 58.3853 28.7489 177.4147 84 L 4.0381 8.4321 121.7273 58.2788 41.5882 178.6360 85 A 4.1749 8.4526 120.7170 55.3154 18.3261 179.4673 86 W 4.1162 8.5227 126.6667 60.5402 30.2444 178.4577 87 I 3.7712 8.2882 120.3007 64.0102 36.2676 177.1516 88 N 4.7746 8.2555 114.8829 53.7287 38.8305 174.5782 89 T 4.6675 7.2370 116.7792 60.8533 70.4713 172.5963 90 P 4.5579 0.0000 0.0000 62.5862 32.2937 177.6294 91 R 4.3771 8.5690 120.2605 58.7728 30.2143 179.2883 92 K 4.0440 8.0907 115.9110 58.9121 32.1505 177.2727 93 E 4.4823 8.2954 116.9546 56.0927 29.3341 176.8545 94 G 4.0351 8.5048 106.9726 45.4073 0.0000 174.4648 95 G 3.9934 7.7405 109.1780 44.5908 0.0000 173.9405 96 L 3.7757 7.5570 117.4656 53.4247 42.6793 178.6158 97 G 3.8857 7.4798 106.7501 43.9149 0.0000 171.1156 98 P 4.3251 0.0000 0.0000 62.6677 31.7710 175.9572 99 L 4.8105 8.1482 120.8823 53.3027 44.8938 176.2079 100 N 4.8449 9.0510 118.1990 52.9750 39.0201 175.1384 101 I 4.7075 7.1829 110.9801 57.9343 40.9098 173.3783 102 P 4.5978 0.0000 0.0000 62.6654 32.8056 175.1096 103 L 4.6021 8.5026 125.2321 53.2994 44.2105 175.3177 104 L 4.7662 8.9927 127.2913 54.0785 43.3558 175.8482 105 A 4.6472 8.6954 124.9051 49.1890 20.3423 177.4195 106 D 4.8822 8.3133 122.0658 53.2002 41.3521 177.5719 107 V 3.8305 7.8448 119.3256 65.3947 32.1625 176.4670 108 T 4.0579 7.7977 107.7080 61.9531 69.3284 175.5397 109 R 4.2110 8.2065 120.8291 57.1265 28.5088 177.9236 110 R 3.8976 7.8880 120.0721 59.3943 29.9590 178.6273 111 L 4.1651 8.6385 119.1121 58.0597 41.7201 179.5651 112 S 3.8078 9.1025 115.3443 61.6895 62.8296 176.7243 113 E 3.9606 8.4710 121.3732 59.6241 29.1579 179.2558 114 D 4.3392 8.6088 119.1384 56.8196 40.6296 177.3576 115 Y 3.9236 7.8005 114.7277 56.6368 38.1782 175.7788 116 G 3.8958 7.6839 107.7525 46.9066 0.0000 174.8922 117 V 4.3477 7.6155 110.4740 60.3325 32.3395 175.4125 118 L 4.3310 7.7339 123.1200 54.7292 42.4032 176.9749 119 K 4.2965 9.0276 128.8599 54.9272 29.9754 176.6879 120 T 3.8509 8.4185 116.5819 64.3319 68.6958 176.2456 121 D 4.3650 8.0704 119.0645 54.5357 39.7955 176.2188 122 E 4.4249 7.4500 118.1524 55.2446 31.5956 176.9299 123 G 3.8962 8.5699 106.7358 45.5672 0.0000 172.9912 124 I 4.6809 7.1648 111.5172 58.3650 40.8100 174.4819 125 A 4.6877 8.3054 124.7821 51.9130 19.8952 176.8873 126 Y 4.1183 8.8488 119.0612 57.4586 39.3760 177.6118 127 R 4.7291 8.1536 120.4099 55.4849 28.2485 174.7704 128 G 4.3455 8.3362 108.7023 44.2496 0.0000 169.6516 129 L 5.3877 8.9397 127.0192 53.1666 45.3789 175.0658 130 F 5.2389 9.3004 123.8775 55.7688 43.2870 173.6396 131 I 4.9580 8.6850 123.9232 59.6698 39.5810 174.5801 132 I 4.9328 8.7323 128.1689 59.5233 40.4820 175.9674 133 D 3.3700 8.4184 126.6975 51.4211 41.4012 177.1060 134 G 3.8661 8.0983 106.3991 48.1896 0.0000 175.0256 135 K 4.1537 8.1033 117.2631 56.3298 32.6373 177.4278 136 G 3.8296 8.2291 108.1304 45.4938 0.0000 173.0790 137 V 4.3696 7.9948 120.0953 61.1029 32.6951 174.7971 138 L 4.4151 8.6333 129.7164 55.3361 42.3807 177.1115 139 R 4.4684 8.9821 124.5475 56.3142 32.5432 175.8502 140 Q 4.7213 7.7259 118.6694 54.7479 32.8105 173.0467 141 I 4.8793 8.3590 124.8054 59.8179 40.8078 174.9152 142 T 4.5342 8.6180 122.9308 61.7942 72.1169 173.0625 143 V 4.7811 8.4309 126.0039 61.1016 34.0830 174.2011 144 N 5.1204 8.9486 124.9593 51.1043 41.8718 174.2407 145 D 4.5950 8.5718 121.1022 53.8903 42.2332 177.0395 146 L 4.2612 8.8088 122.1934 57.5830 41.6240 177.3334 147 P 4.4764 0.0000 0.0000 63.7861 31.6518 176.1632 148 V 4.3883 7.2812 117.1248 60.5155 33.4456 175.5631 149 G 3.8472 8.5607 115.8217 45.3441 0.0000 173.4189 150 R 4.2996 9.0805 120.0830 55.1035 32.0460 176.1542 151 S 4.5386 8.2227 112.0991 56.6510 64.4691 174.7495 152 V 3.2920 8.0396 129.2181 65.9175 31.2462 177.4464 153 D 4.2974 7.9544 118.3328 57.3558 40.6341 178.2224 154 E 3.9647 8.4109 119.5816 59.0408 29.6411 178.6734 155 A 4.1596 8.1317 120.9186 55.1797 18.5031 179.2860 156 L 3.8241 8.4531 119.2180 58.3154 42.0278 179.0265 157 R 4.4128 8.2926 120.2931 58.9641 29.9176 178.4924 158 L 4.0529 8.3776 118.8811 57.7953 41.5989 179.5386 159 V 3.7497 8.1318 118.1900 66.2911 31.3404 178.0708 160 Q 4.0352 8.4522 117.5800 58.9059 28.4843 178.7759 161 A 2.9439 8.3199 122.0597 54.8855 18.3560 179.7148 162 F 4.0418 8.3503 116.7304 60.8134 38.9929 177.9763 163 Q 4.0068 8.3274 117.9566 58.8673 28.3458 178.1601 164 Y 3.8623 8.0582 121.0209 60.9159 38.8866 178.2841 165 T 4.0632 7.9670 112.2822 64.3133 68.5369 176.0922 166 D 4.3777 8.1003 120.9285 57.3486 40.9980 178.2983 167 E 4.0609 8.0158 117.3740 58.3572 28.8618 177.8059 168 H 4.6973 8.2737 114.7296 54.3312 29.8559 175.7520 169 G 3.7364 8.0225 108.2324 46.0857 0.0000 172.8408 170 E 4.8906 7.5020 114.9253 54.2675 33.6200 175.3799 171 V 4.3045 8.5205 114.1850 59.9472 35.0182 174.7746 172 C 4.5631 8.0340 120.5312 57.4686 29.4191 172.3095 173 P 4.3153 0.0000 0.0000 61.5420 31.8284 175.3955 174 A 4.0967 8.4286 122.1297 54.1860 18.3715 178.1176 175 G 3.9226 8.9271 108.8893 45.3399 0.0000 173.6518 176 W 4.1414 7.8442 128.9130 57.7319 31.1821 175.2900 177 K 3.9944 7.1923 122.6241 53.1595 35.7234 174.0122 178 P 3.5240 0.0000 0.0000 64.4731 31.4528 176.6690 179 G 3.8806 8.5437 110.9685 45.4184 0.0000 174.0977 180 S 4.2281 6.8940 115.1441 57.8734 63.4135 173.9740 181 D 4.6466 8.4916 122.7760 54.7343 41.2349 175.4900 182 T 4.7637 8.2611 110.7839 60.0382 72.4384 172.6738 183 I 4.4031 8.1062 121.8602 59.1957 40.2095 175.3732 184 K 4.4221 8.5330 126.2511 54.6417 32.4251 176.5953 185 P 4.6429 0.0000 0.0000 61.2065 30.4927 175.3710 186 N 5.0314 7.4216 116.4348 51.5737 40.9935 175.8787 187 V 3.6552 8.7718 120.8080 66.6343 31.6932 177.2747 188 D 4.5680 8.1785 118.6997 57.4442 40.9869 178.4208 189 D 4.4683 9.0664 119.4023 56.6816 40.8246 178.7708 190 S 4.1173 8.2946 114.9424 60.9021 62.9376 176.5096 191 K 4.2875 7.9940 122.4444 59.3057 31.8256 178.8750 192 E 3.9783 7.9887 119.3429 59.4535 29.3843 178.7496 193 Y 4.0218 7.7992 118.8896 60.8487 39.1470 177.7116 194 F 4.5076 7.9491 118.8649 60.6236 38.7573 177.8545 195 S 4.2778 8.3536 113.5087 60.9975 62.9992 175.9652 196 K 4.0607 7.5041 121.1394 58.3275 32.1366 177.4157 197 H 4.4325 7.6910 113.8455 55.5965 29.1795 174.7617 198 N 4.6000 7.5770 122.9109 53.3653 39.3068 174.0253 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 3 S 8.18 4.43 0.00 4.03 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 4 G 8.25 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 5 N 9.18 4.42 0.00 2.64 2.74 0.00 0.00 6.95 6.90 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 6 A 7.79 4.01 0.99 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 0.00 0.00 7 R 8.19 4.64 0.00 1.76 1.77 0.00 3.29 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 8 I 8.36 4.01 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 0.99 0.00 0.00 9 G 9.32 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 10 K 7.58 4.73 0.00 1.75 1.65 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.50 7.81 11 P 0.00 4.65 0.00 1.89 1.99 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 12 A 8.93 4.14 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 13 P 0.00 4.05 0.00 1.45 1.76 0.00 3.06 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.79 0.00 14 D 8.51 4.49 0.00 2.58 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 15 F 7.69 5.19 0.00 3.14 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 16 K 8.68 5.19 0.00 1.74 1.71 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.47 7.81 17 A 9.06 4.72 1.27 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 0.00 0.00 18 T 8.45 4.56 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 19 A 9.23 5.11 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.68 4.65 2.16 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 1.02 0.00 0.00 1.21 0.00 0.00 21 V 8.85 4.29 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 0.95 0.00 0.00 0.97 0.00 0.00 22 D 9.66 4.10 0.00 2.84 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 23 G 8.43 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 0.00 0.00 0.00 24 A 7.72 4.54 1.14 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 0.00 0.00 25 F 8.18 5.52 0.00 2.88 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 26 K 9.06 4.71 0.00 1.82 1.62 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.40 7.81 27 E 8.77 4.69 0.00 2.03 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 2.30 2.32 0.00 28 V 9.00 4.72 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 1.02 0.00 0.00 29 K 9.23 5.00 0.00 1.92 1.80 0.00 1.32 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.25 7.81 30 L 7.59 3.68 0.00 0.27 1.36 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.79 4.11 0.00 3.97 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 32 D 7.72 4.12 0.00 1.95 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 0.00 0.00 0.00 0.00 33 Y 7.90 4.48 0.00 3.16 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 34 K 7.32 3.98 0.00 1.81 1.71 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.39 7.81 35 G 9.36 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 0.00 0.00 0.00 36 K 8.28 4.93 0.00 2.03 1.93 0.00 1.80 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.47 7.81 37 Y 8.95 4.58 0.00 3.05 3.02 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 38 V 8.80 4.74 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 0.85 0.00 0.00 0.76 0.00 0.00 39 V 8.94 4.57 1.79 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 0.77 0.00 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0.00 0.00 0.00 0.00 66 R 8.60 4.05 0.00 2.09 2.06 0.00 3.21 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 67 K 8.26 4.12 0.00 1.89 1.89 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.71 7.81 68 L 7.86 4.60 0.00 1.77 1.86 0.84 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.54 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 0.00 0.00 0.00 70 C 8.22 5.52 0.00 3.15 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 71 E 9.33 4.69 0.00 1.73 1.78 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 2.45 2.80 0.00 72 V 8.24 4.59 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 0.62 0.00 0.00 0.33 0.00 0.00 73 L 8.81 4.57 0.00 1.19 1.17 0.72 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.10 3.21 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.92 0.00 0.00 108 T 7.80 4.06 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 0.00 109 R 8.21 4.21 0.00 2.13 2.12 0.00 3.34 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 110 R 7.89 3.90 0.00 1.91 1.95 0.00 3.17 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 1.66 1.78 0.00 111 L 8.64 4.17 0.00 2.18 1.89 1.03 0.49 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 0.00 112 S 9.10 3.81 0.00 3.80 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 0.00 113 E 8.47 3.96 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 114 D 8.61 4.34 0.00 2.91 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 0.00 115 Y 7.80 3.92 0.00 2.58 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.68 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 0.00 117 V 7.62 4.35 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 0.82 0.00 0.00 0.25 0.00 0.00 118 L 7.73 4.33 0.00 1.55 1.57 0.91 0.59 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 0.00 119 K 9.03 4.30 0.00 0.79 1.47 0.00 0.94 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.25 7.81 120 T 8.42 3.85 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 0.00 121 D 8.07 4.36 0.00 2.79 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 0.00 122 E 7.45 4.42 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 2.19 2.17 0.00 123 G 8.57 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 0.00 124 I 7.16 4.68 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.76 0.91 0.00 0.00 125 A 8.31 4.69 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 0.00 126 Y 8.85 4.12 0.00 3.02 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 0.00 127 R 8.15 4.73 0.00 2.04 2.05 0.00 3.43 0.00 0.00 3.71 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 128 G 8.34 4.35 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 0.00 129 L 8.94 5.39 0.00 1.71 1.44 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 130 F 9.30 5.24 0.00 3.01 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 0.00 131 I 8.68 4.96 1.91 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.75 1.16 0.00 0.00 132 I 8.73 4.93 1.87 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.93 0.90 0.00 0.00 133 D 8.42 3.37 0.00 2.25 2.22 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 0.00 134 G 8.10 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 0.00 135 K 8.10 4.15 0.00 1.83 1.83 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.42 7.81 136 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 0.00 137 V 7.99 4.37 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.89 0.00 0.00 138 L 8.63 4.42 0.00 1.86 1.71 1.30 0.84 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 0.00 139 R 8.98 4.47 0.00 0.76 0.66 0.00 3.22 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.29 0.00 140 Q 7.73 4.72 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 141 I 8.36 4.88 1.91 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.96 0.88 0.00 0.00 142 T 8.62 4.53 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 143 V 8.43 4.78 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 0.79 0.00 0.00 0.86 0.00 0.00 144 N 8.95 5.12 0.00 2.81 2.73 0.00 0.00 6.23 7.78 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 0.00 145 D 8.57 4.60 0.00 2.75 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 0.00 146 L 8.81 4.26 0.00 1.78 1.83 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.48 0.00 2.09 2.16 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 148 V 7.28 4.39 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 149 G 8.56 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 0.00 0.00 0.00 150 R 9.08 4.30 0.00 1.93 1.98 0.00 3.22 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 151 S 8.22 4.54 0.00 3.82 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.04 3.29 1.80 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 0.99 0.00 0.00 -0.15 0.00 0.00 153 D 7.95 4.30 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 154 E 8.41 3.96 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 155 A 8.13 4.16 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.45 3.82 0.00 1.44 1.74 0.07 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 157 R 8.29 4.41 0.00 2.02 2.15 0.00 3.41 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 158 L 8.38 4.05 0.00 2.09 2.02 1.06 1.14 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 0.00 159 V 8.13 3.75 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 1.02 0.00 0.00 1.32 0.00 0.00 160 Q 8.45 4.04 0.00 2.62 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 161 A 8.32 2.94 0.95 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 0.00 0.00 162 F 8.35 4.04 0.00 3.30 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 0.00 163 Q 8.33 4.01 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 1.95 1.79 0.00 164 Y 8.06 3.86 0.00 2.98 2.54 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 0.00 0.00 0.00 0.00 165 T 7.97 4.06 4.20 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 1.05 0.00 0.00 166 D 8.10 4.38 0.00 2.91 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 0.00 167 E 8.02 4.06 0.00 1.67 1.66 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 0.00 2.26 2.35 0.00 168 H 8.27 4.70 0.00 2.96 3.18 0.00 5.89 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 0.00 169 G 8.02 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 0.00 170 E 7.50 4.89 0.00 1.99 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 2.22 2.44 0.00 171 V 8.52 4.30 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 0.69 0.00 0.00 0.83 0.00 0.00 172 C 8.03 4.56 0.00 2.42 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 0.00 0.00 0.00 0.00 173 P 0.00 4.32 0.00 2.22 1.94 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.67 0.00 174 A 8.43 4.10 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 0.00 175 G 8.93 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 0.00 0.00 0.00 176 W 7.84 4.14 0.00 3.34 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 0.00 177 K 7.19 3.99 0.00 1.35 1.23 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.20 1.39 7.81 178 P 0.00 3.52 0.00 1.79 1.89 0.00 3.24 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.99 0.00 179 G 8.54 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 0.00 0.00 0.00 180 S 6.89 4.23 0.00 3.13 3.66 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 0.00 0.00 0.00 0.00 181 D 8.49 4.65 0.00 2.86 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 0.00 182 T 8.26 4.76 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 1.11 0.00 0.00 183 I 8.11 4.40 1.58 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.13 0.58 0.00 0.00 184 K 8.53 4.42 0.00 1.64 1.76 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.44 7.81 185 P 0.00 4.64 0.00 2.17 2.07 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 186 N 7.42 5.03 0.00 2.93 2.90 0.00 0.00 5.70 7.68 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 0.00 187 V 8.77 3.66 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 0.86 0.00 0.00 0.96 0.00 0.00 188 D 8.18 4.57 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.07 4.47 0.00 2.73 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 0.00 190 S 8.29 4.12 0.00 4.03 4.38 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 0.00 191 K 7.99 4.29 0.00 1.84 2.01 0.00 1.81 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.85 1.71 7.81 192 E 7.99 3.98 0.00 2.01 2.03 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 2.36 2.50 0.00 193 Y 7.80 4.02 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 0.00 194 F 7.95 4.51 0.00 3.25 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 0.00 195 S 8.35 4.28 0.00 4.04 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 0.00 196 K 7.50 4.06 0.00 1.81 1.94 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.15 1.32 7.81 197 H 7.69 4.43 0.00 2.63 3.10 0.00 5.65 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 N 7.58 4.60 0.00 2.96 2.67 0.00 0.00 6.78 7.44 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 * Residues marked with a * may have inaccurate shift predictions.