NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3797 8.0333 117.3230 63.4288 70.6602 172.4470 3 N 5.0077 8.4997 123.0223 50.8977 40.5625 172.4251 4 S 4.4057 9.3909 116.5378 58.4168 66.9655 173.5838 5 N 3.9065 9.3383 123.6153 55.1806 36.8975 173.0698 6 N 4.1673 8.2302 108.3550 54.2889 38.0297 173.1503 7 R 4.6797 7.7522 112.9858 53.7319 34.0454 174.1921 8 Q 4.8654 8.4632 120.8603 54.2931 31.6997 174.8948 9 S 4.7902 8.3622 119.7479 56.7805 65.0080 174.2588 10 E 3.9205 8.5652 120.5706 58.2747 29.6134 176.4669 11 Y 4.6980 6.9693 111.5610 55.0730 42.0468 174.2649 12 P 4.8816 0.0000 0.0000 61.8590 29.8299 176.8597 13 V 3.8345 7.3081 112.1512 61.6008 32.9907 176.3586 14 D 4.5171 8.8352 121.8032 53.9339 41.6946 175.7560 15 P 4.3853 0.0000 0.0000 65.3556 31.2604 178.5283 16 L 3.8447 8.4561 118.6001 58.0378 41.2269 179.4731 17 F 4.4256 7.9629 116.3950 59.9197 38.9028 177.1381 18 L 4.3615 7.7928 117.3836 57.0965 41.9781 178.2802 19 D 4.5657 8.2930 118.5746 55.6944 40.9622 177.0688 20 R 3.9746 7.3308 120.6811 55.7582 30.3478 175.3234 21 W 5.2112 8.4562 120.8667 56.1762 30.9856 174.9258 22 S 4.4064 8.3760 114.1959 55.8677 62.0948 172.1358 23 P 4.0381 0.0000 0.0000 61.7659 32.4259 176.9596 24 R 3.6889 8.5482 115.0092 55.3796 31.7827 176.1779 25 A 4.3228 7.6631 120.7416 50.9408 18.8955 176.1417 26 F 5.5502 8.5450 119.3747 56.7093 41.6144 175.8656 27 D 4.5074 9.1555 120.7975 53.1542 39.9528 177.5235 28 G 3.9116 8.2671 107.3126 45.8489 0.0000 174.1339 29 S 4.4326 8.2067 114.1737 56.7315 64.3562 174.4538 30 P 4.3434 0.0000 0.0000 61.8580 31.7681 173.5300 *32 P 4.1093 0.0000 0.0000 62.2994 32.8888 177.2780 33 K 3.8289 8.6073 121.8168 59.8650 31.8741 179.1972 34 E 3.9766 8.0841 118.7626 59.3525 29.5782 178.4229 35 H 4.2404 8.0009 116.4006 58.8010 28.7400 177.5028 36 L 3.7813 7.7539 121.6091 58.0020 41.9352 178.8141 37 L 3.8330 7.7593 118.8180 57.8727 41.4141 179.5564 38 T 3.8507 8.1715 116.0334 66.6426 68.4717 176.5686 39 I 3.5801 7.6160 121.5441 64.5772 37.1881 178.6021 40 L 3.6215 7.8795 119.5624 57.1446 41.0952 179.0706 41 D 4.2832 8.1907 117.8973 57.2362 41.6323 177.7274 42 A 4.2626 8.3099 121.3146 55.2171 18.4724 179.2350 43 A 3.9136 7.7546 119.3247 55.5900 18.2106 179.1310 44 H 4.4186 8.0622 110.7641 57.0276 28.9823 176.5928 45 W 4.4321 7.6441 120.2314 56.1168 29.3475 176.1927 46 A 4.2551 6.8588 122.3489 51.1882 18.3983 176.0487 47 P 4.8401 0.0000 0.0000 62.9434 32.6379 175.8185 48 S 5.1259 8.6289 110.8430 57.4769 65.6368 173.7753 49 A 4.1788 9.1482 125.3003 54.3586 18.4301 178.1909 50 S 3.6721 9.2021 116.4345 58.4616 60.5891 171.5168 51 N 4.2081 8.0745 115.8066 54.7606 37.6736 175.3744 52 H 4.1963 8.1686 114.9900 56.5942 29.5150 175.8634 53 Q 2.0000 7.3957 117.3096 55.9292 25.9639 171.9435 54 P 4.3391 0.0000 0.0000 63.8638 33.1701 178.2957 55 W 4.7636 6.8722 117.9994 56.8573 28.8776 175.6685 56 R 4.6555 9.0605 120.2334 54.5169 34.4600 174.0858 57 F 5.5261 8.6756 118.9651 55.9024 42.4406 174.3719 58 V 4.6664 8.9896 124.2141 61.3211 33.4381 173.9484 59 Y 5.6268 8.4224 124.7947 55.3953 41.6435 174.5730 60 A 4.4955 8.7441 121.3071 50.7208 22.7640 175.6819 61 H 4.7485 8.8776 118.7635 54.7804 30.0548 176.3290 62 K 2.0000 7.9975 122.3777 58.9168 31.7992 177.3346 63 D 4.5028 7.5860 114.9385 53.2669 39.9630 176.2326 64 S 4.3178 8.0490 116.2905 58.0383 62.9667 174.7501 65 E 4.0348 8.8693 125.8785 59.3579 29.5328 178.2265 66 D 4.8953 8.3956 117.0380 53.6066 41.0479 177.6515 67 W 4.3495 8.0666 131.9508 60.3972 30.6668 176.2560 68 P 4.1454 0.0000 0.0000 65.5738 30.5319 178.0828 69 L 4.2394 7.8463 121.0679 57.6493 41.9177 178.7485 70 F 4.0178 8.2370 116.5124 60.4703 39.0798 177.5183 71 V 3.4490 7.6584 118.2533 65.6887 31.1521 177.4452 72 E 4.5185 8.1133 117.0282 57.1763 29.7617 177.9176 73 L 4.3385 7.7588 119.7992 56.4425 42.0630 176.5076 74 L 4.5798 7.9143 124.1361 54.5761 40.4218 177.6245 *76 E 4.3657 8.9211 124.0613 57.2570 31.1970 177.7477 77 G 3.7862 8.3005 103.5637 48.2042 0.0000 174.9002 78 N 4.2701 8.0415 118.9871 55.7050 38.0363 177.1701 79 Q 3.7176 7.9297 118.9875 59.0160 28.5206 178.9490 80 K 3.9371 7.4677 118.7570 58.7444 32.4822 178.1636 81 W 4.7494 7.5051 114.9284 57.9953 29.6345 177.9226 82 A 3.9661 6.9178 121.4221 53.9895 17.4042 179.3366 83 K 4.1823 7.7694 116.4671 59.1229 32.9735 177.3949 84 N 4.8436 8.1433 116.4900 52.9261 38.9769 174.6972 85 A 4.4826 7.9110 122.1729 52.0188 19.3571 177.9553 86 S 4.2891 8.5068 115.1679 60.4330 64.3921 175.1368 87 V 4.9933 7.4844 118.2024 61.1692 35.1021 173.7813 88 L 5.3373 9.0683 126.6429 53.0274 45.1532 175.4238 89 L 5.2354 8.5506 121.4710 54.7990 44.7637 174.1047 90 F 5.2574 9.3148 118.5051 55.7100 42.1358 174.7195 91 V 4.6826 9.2097 124.2328 62.1533 32.8001 174.8381 92 I 5.3439 8.9673 128.6829 59.6435 41.2602 174.6394 93 S 5.1972 9.3149 118.1215 56.6345 66.7101 173.0570 94 R 3.5434 8.7470 123.6181 55.7898 30.7760 175.9469 95 D 4.2356 8.7264 126.5053 53.4506 40.5459 175.1536 96 H 5.1469 7.2584 112.3164 55.3283 31.9793 172.4348 97 T 4.4003 8.8386 114.1155 60.5401 69.4928 172.9925 98 I 5.5693 8.2319 126.0478 58.2131 41.1336 175.0545 99 S 4.5820 8.4743 123.4348 57.0956 65.0846 174.2238 100 H 4.0211 8.9612 119.1014 59.2655 29.4000 175.4342 101 E 4.1586 8.1780 115.7478 56.3995 29.7208 176.9448 102 G 3.8525 8.2578 107.5801 45.2649 0.0000 172.8877 103 E 4.2054 8.1697 121.7098 55.5628 30.7157 175.4870 104 K 5.0893 8.5709 126.1510 54.7102 34.3089 175.6051 105 K 4.5795 8.7804 125.3538 53.6266 35.3452 173.5417 106 P 4.6678 0.0000 0.0000 63.4026 31.9706 175.4075 107 S 4.6475 8.5442 118.8689 57.1439 62.7615 174.1821 108 A 4.2461 8.8636 129.8900 54.0716 18.9397 177.7536 109 T 4.6807 7.7269 103.7276 60.9559 70.1314 175.2839 110 H 4.2748 8.3122 120.0120 59.3861 28.2602 177.7411 111 S 4.3842 7.6641 118.5425 60.4714 62.9137 175.9230 112 F 4.1959 8.3605 122.9356 61.7247 38.9550 176.8463 113 D 4.5602 9.0841 118.4131 57.3993 40.5794 178.4476 114 A 4.5504 8.6270 121.5737 55.4217 18.2651 179.9489 115 G 3.7569 8.3582 103.9380 47.8862 0.0000 175.6817 116 A 3.9808 7.9688 122.9103 54.9757 18.3415 179.5863 117 A 3.7323 7.9371 119.1422 54.8645 18.2570 179.6558 118 W 4.3387 8.7070 127.2588 60.6771 30.6079 177.9405 119 F 3.0278 8.1445 119.7239 61.0131 38.8521 176.8275 120 S 4.1797 7.7946 113.6949 61.3878 62.8385 175.9925 121 L 3.9495 8.0373 123.0411 58.1071 41.6632 179.8689 122 A 3.9141 7.2056 116.9026 52.8579 17.9719 178.6737 *124 Q 3.9790 8.0660 123.1717 57.4545 31.1187 177.1021 125 A 3.9949 8.1237 120.8194 55.6811 18.8998 178.6564 126 H 4.3818 8.3909 115.1580 58.6156 29.8407 177.4339 127 L 3.8849 7.7688 116.8025 57.4196 41.4885 177.9289 128 L 4.0250 7.5732 116.1208 54.9982 41.8070 177.4652 129 G 3.6271 7.9702 107.4885 45.0014 0.0000 172.6495 130 Y 4.9459 7.7023 117.6700 56.4934 41.5168 174.0338 131 H 5.1691 9.3990 116.2437 54.2205 32.4202 173.0799 132 A 5.2467 8.7248 123.7661 50.7617 21.6336 175.8268 133 H 4.8539 9.5385 120.4024 54.7443 33.1657 173.7710 134 G 3.8002 8.9482 114.5099 45.4414 0.0000 172.6194 *136 G 4.0087 8.7592 107.1498 45.1637 0.0000 174.4173 137 G 3.8718 7.8222 109.9496 44.2749 0.0000 172.5573 138 I 4.3422 6.9235 114.1034 58.7598 41.1633 177.1613 139 F 4.6002 8.5006 121.7043 56.1126 37.9797 176.9454 140 K 3.8735 8.2279 123.5504 59.3688 32.1609 178.5306 141 D 4.3364 8.0177 118.6677 57.4149 40.8287 178.8975 142 R 3.8548 7.8919 118.1285 59.0309 30.0641 178.8730 143 I 3.2824 7.8436 119.9987 64.2797 37.0782 178.5061 144 V 3.4749 7.6614 118.8752 65.8855 31.0682 177.7444 145 E 3.8384 8.0075 118.8353 59.4247 29.4024 179.0098 146 K 4.0300 8.2558 117.1794 58.5681 32.2656 177.9323 147 L 4.4022 7.7890 116.3987 53.6910 41.9041 175.8467 148 D 4.3334 7.3912 115.8108 55.3139 38.5730 174.3404 149 I 3.8457 7.6046 119.4784 60.2581 37.5481 175.2244 150 P 4.5643 0.0000 0.0000 61.6536 32.1488 175.4536 151 D 4.3906 8.3927 119.7895 56.1799 41.2608 177.3378 152 G 3.8814 9.1272 110.2375 45.3986 0.0000 172.3779 153 F 5.0348 7.7513 116.9115 55.1317 41.5368 174.5201 154 K 4.6129 9.2467 127.2250 54.6101 34.5141 175.2080 155 V 4.1998 8.3675 127.2822 62.9760 31.4996 175.2096 156 E 4.3897 9.5495 128.6172 58.4165 30.6344 176.4266 157 A 4.5076 7.7148 118.1495 51.0439 22.1865 175.4490 158 G 4.0661 8.4711 106.7822 45.4590 0.0000 172.9987 159 V 4.9223 8.5042 120.2129 61.0159 35.2040 173.5886 160 A 5.0914 8.9985 129.7726 50.3722 21.3250 175.5179 161 I 4.7734 8.1063 122.6874 59.6598 41.4301 175.4360 162 G 4.1805 7.9620 110.7993 46.6307 0.0000 171.2166 163 T 5.1766 8.2263 116.2041 61.4994 70.5433 174.5406 164 L 4.4072 8.8204 128.7700 55.9015 43.0147 175.6420 165 T 4.7175 8.3804 118.9052 60.4119 71.2379 172.3921 166 D 4.4888 8.6481 121.0765 53.8391 41.8144 177.4865 167 K 4.0795 8.7116 125.1299 59.3721 32.7813 178.9502 168 S 4.1485 8.2958 114.4445 60.8937 62.7547 175.5434 169 I 3.9316 7.4374 113.0861 62.3672 37.7132 176.1246 170 L 4.5118 7.7441 122.0181 52.8214 42.7765 175.3817 171 P 4.4553 0.0000 0.0000 62.9994 33.0977 177.0240 172 D 4.3865 8.7776 119.5869 57.8617 40.5395 179.0524 173 D 4.3577 7.9914 117.9464 56.5221 39.7664 178.2096 174 L 4.0849 7.9037 119.7459 57.2477 41.7329 178.8857 175 A 4.0017 8.2779 121.0686 55.4235 18.0993 179.5957 176 E 4.0222 8.2867 115.7536 58.8591 29.5621 178.7418 177 R 4.4240 7.5547 115.7494 55.5459 31.8804 176.8901 178 E 4.4794 7.7323 122.3761 54.3022 28.0474 176.0501 179 V 4.3169 7.2514 118.3464 59.1005 34.8994 173.6788 180 P 4.2247 0.0000 0.0000 62.2515 31.5932 176.6549 181 S 4.2856 8.6269 117.4282 58.4091 63.5780 173.5363 182 K 4.5075 8.1854 120.9096 55.0559 34.0842 175.5263 183 R 4.7683 7.9121 117.1524 54.3114 33.8747 175.9383 184 V 3.8741 8.1136 112.5353 60.3850 32.3620 174.6942 185 P 4.4428 0.0000 0.0000 62.9070 31.9452 177.1472 186 L 3.8138 9.5815 124.7088 58.3479 42.0103 179.2774 187 A 4.0481 7.9674 119.1428 54.7353 18.3882 177.7805 188 D 4.7517 8.1136 114.6454 55.8956 41.0916 177.3376 189 V 3.9017 7.7434 109.6521 59.8127 33.6740 175.1281 190 A 4.1371 7.3866 122.2622 49.8458 20.5397 175.2595 191 F 5.0232 7.9828 121.3114 55.6525 41.8950 174.5277 192 E 4.2032 8.8939 126.4330 56.6658 30.4750 174.6164 193 G 4.3996 10.8791 117.6128 45.4336 0.0000 173.0360 194 R 4.4971 7.1069 112.3343 54.3631 31.9587 174.0999 195 F 4.1693 8.8115 120.8702 58.6038 38.6036 174.5938 196 T 4.2298 6.9534 117.7286 61.1123 69.7696 175.1161 197 G 3.3590 5.3800 111.1061 44.5187 0.0000 173.5247 198 K 4.1839 8.2660 118.8270 56.5083 33.1995 177.2538 199 A 4.2442 8.4994 122.9610 54.8050 18.9298 177.2876 200 D 4.2367 7.8768 119.2466 54.9791 41.1034 174.7974 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 T 8.03 4.38 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 1.27 0.00 0.00 3 N 8.50 5.01 0.00 2.73 2.70 0.00 0.00 6.76 6.68 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 4 S 9.39 4.41 0.00 3.79 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 9.34 3.91 0.00 2.99 2.81 0.00 0.00 7.03 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 6 N 8.23 4.17 0.00 2.67 2.62 0.00 0.00 7.02 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.75 4.68 0.00 1.99 1.71 0.00 3.19 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 8 Q 8.46 4.87 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.17 2.50 0.00 9 S 8.36 4.79 0.00 4.06 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 10 E 8.57 3.92 0.00 1.87 1.56 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 2.21 2.28 0.00 11 Y 6.97 4.70 0.00 2.99 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 12 P 0.00 4.88 0.00 2.21 2.13 0.00 3.57 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 13 V 7.31 3.83 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 0.72 0.00 0.00 1.02 0.00 0.00 14 D 8.84 4.52 0.00 2.85 2.71 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 15 P 0.00 4.39 0.00 2.19 2.10 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 16 L 8.46 3.84 0.00 1.22 1.39 0.80 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.96 4.43 0.00 3.21 3.11 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 18 L 7.79 4.36 0.00 1.74 1.84 0.93 1.09 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 19 D 8.29 4.57 0.00 2.63 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 20 R 7.33 3.97 0.00 1.56 1.83 0.00 2.87 0.00 0.00 2.76 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.32 0.00 21 W 8.46 5.21 0.00 3.57 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 22 S 8.38 4.41 0.00 3.70 3.40 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 23 P 0.00 4.04 0.00 1.45 0.49 0.00 3.21 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 1.21 0.74 0.00 24 R 8.55 3.69 0.00 1.23 1.23 0.00 2.60 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.75 0.00 25 A 7.66 4.32 1.20 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 0.00 0.00 26 F 8.55 5.55 0.00 3.16 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 27 D 9.16 4.51 0.00 2.76 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 28 G 8.27 3.91 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 0.00 0.00 0.00 29 S 8.21 4.43 0.00 4.01 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 30 P 0.00 4.34 0.00 2.12 1.97 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 *32 P 0.00 4.11 0.00 1.94 1.91 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.03 0.00 33 K 8.61 3.83 0.00 1.78 1.84 0.00 1.28 0.00 0.00 1.61 0.00 0.00 2.52 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.48 1.50 7.81 34 E 8.08 3.98 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 2.39 2.40 0.00 35 H 8.00 4.24 0.00 3.35 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.75 3.78 0.00 1.53 1.58 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.76 3.83 0.00 1.86 1.66 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.17 3.85 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 39 I 7.62 3.58 1.87 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.97 3.98 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 0.00 117 A 7.94 3.73 0.81 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 0.00 118 W 8.71 4.34 0.00 3.45 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 F 8.14 3.03 0.00 2.87 2.99 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 0.00 120 S 7.79 4.18 0.00 3.99 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 0.00 121 L 8.04 3.95 0.00 1.75 1.89 0.90 0.95 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 0.00 122 A 7.21 3.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *124 Q 8.07 3.98 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 125 A 8.12 3.99 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 0.00 126 H 8.39 4.38 0.00 3.09 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.77 3.88 0.00 1.87 1.63 0.84 0.89 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 0.00 128 L 7.57 4.02 0.00 1.87 1.58 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.97 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 7.70 4.95 0.00 3.01 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 9.40 5.17 0.00 3.29 3.13 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.72 5.25 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 0.00 133 H 9.54 4.85 0.00 3.45 3.49 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.95 3.80 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 0.00 0.00 0.00 *136 G 8.76 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 0.00 0.00 0.00 137 G 7.82 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 0.00 138 I 6.92 4.34 1.89 0.00 0.00 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 1.59 0.61 0.96 0.00 0.00 139 F 8.50 4.60 0.00 2.97 2.88 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 K 8.23 3.87 0.00 1.78 1.83 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.50 7.81 141 D 8.02 4.34 0.00 2.68 2.69 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 0.00 142 R 7.89 3.85 0.00 1.91 1.83 0.00 2.62 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 143 I 7.84 3.28 1.71 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.27 0.29 0.00 0.00 144 V 7.66 3.47 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 0.97 0.00 0.00 0.91 0.00 0.00 145 E 8.01 3.84 0.00 2.08 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 2.25 2.33 0.00 146 K 8.26 4.03 0.00 1.65 1.74 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.43 7.81 147 L 7.79 4.40 0.00 1.56 1.57 0.39 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 148 D 7.39 4.33 0.00 2.82 2.69 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 0.00 149 I 7.60 3.85 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.37 0.92 0.00 0.00 150 P 0.00 4.56 0.00 2.33 1.98 0.00 3.12 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 151 D 8.39 4.39 0.00 2.69 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 0.00 152 G 9.13 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 0.00 153 F 7.75 5.03 0.00 3.20 2.96 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 0.00 154 K 9.25 4.61 0.00 1.82 1.83 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.41 1.40 7.81 155 V 8.37 4.20 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 0.82 0.00 0.00 0.87 0.00 0.00 156 E 9.55 4.39 0.00 2.10 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 2.39 2.51 0.00 157 A 7.71 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.47 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 0.00 0.00 0.00 0.00 159 V 8.50 4.92 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 1.10 0.00 0.00 0.78 0.00 0.00 160 A 9.00 5.09 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 0.00 161 I 8.11 4.77 1.65 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 1.14 0.62 0.83 0.00 0.00 162 G 7.96 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 0.00 0.00 0.00 163 T 8.23 5.18 4.73 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 1.29 0.00 0.00 164 L 8.82 4.41 0.00 1.54 1.60 0.65 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 165 T 8.38 4.72 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 1.21 0.00 0.00 166 D 8.65 4.49 0.00 2.80 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 0.00 167 K 8.71 4.08 0.00 1.97 2.07 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.44 7.81 168 S 8.30 4.15 0.00 4.01 4.10 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 0.00 169 I 7.44 3.93 1.91 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 1.54 0.62 0.94 0.00 0.00 170 L 7.74 4.51 0.00 1.76 1.64 0.83 1.04 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 0.00 171 P 0.00 4.46 0.00 2.44 2.22 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 172 D 8.78 4.39 0.00 2.72 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 0.00 173 D 7.99 4.36 0.00 2.82 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 0.00 174 L 7.90 4.08 0.00 1.85 1.68 1.05 0.82 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 0.00 175 A 8.28 4.00 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 0.00 176 E 8.29 4.02 0.00 2.12 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 2.35 2.51 0.00 177 R 7.55 4.42 0.00 1.90 1.95 0.00 3.16 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 178 E 7.73 4.48 0.00 2.06 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 2.35 2.51 0.00 179 V 7.25 4.32 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 0.74 0.00 0.00 0.80 0.00 0.00 180 P 0.00 4.22 0.00 1.78 1.54 0.00 3.25 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.44 0.00 181 S 8.63 4.29 0.00 4.02 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 0.00 182 K 8.19 4.51 0.00 1.76 1.80 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.37 7.81 183 R 7.91 4.77 0.00 1.74 1.79 0.00 3.40 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 184 V 8.11 3.87 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 0.73 0.00 0.00 0.94 0.00 0.00 185 P 0.00 4.44 0.00 2.19 2.00 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 186 L 9.58 3.81 0.00 1.81 1.80 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 187 A 7.97 4.05 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 0.00 188 D 8.11 4.75 0.00 2.83 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 0.00 189 V 7.74 3.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.83 0.00 0.00 190 A 7.39 4.14 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 0.00 191 F 7.98 5.02 0.00 2.93 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 0.00 192 E 8.89 4.20 0.00 1.93 1.87 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 2.28 2.30 0.00 193 G 10.88 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 0.00 0.00 0.00 0.00 194 R 7.11 4.50 0.00 1.95 1.93 0.00 3.06 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 195 F 8.81 4.17 0.00 3.08 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 0.00 196 T 6.95 4.23 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 1.18 0.00 0.00 197 G 5.38 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 K 8.27 4.18 0.00 1.91 1.86 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.56 7.81 199 A 8.50 4.24 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 0.00 200 D 7.88 4.24 0.00 2.62 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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.