NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2441 8.1744 117.3763 63.3773 69.7322 172.6116 3 V 4.1090 8.1933 126.2022 59.6385 32.9746 172.7707 4 P 4.4567 0.0000 0.0000 62.1772 32.8192 176.0083 5 T 3.9532 8.4785 110.7601 61.9362 68.8173 173.4481 6 W 4.4113 8.8446 134.1350 57.3456 31.3695 175.0487 7 Q 4.3014 7.5336 124.9114 53.3981 29.7525 175.6810 8 V 3.7085 8.0794 122.7134 62.4856 32.1247 176.1604 9 R 4.1620 8.7920 122.5980 55.5105 31.0279 175.5361 10 D 4.6958 8.6839 125.6018 53.1906 41.4973 175.4065 11 L 4.7137 8.8774 126.6455 54.5437 42.0826 179.3943 12 R 4.0479 7.9044 120.6606 59.0530 29.9744 177.9521 13 R 4.2124 7.9264 114.2242 56.3716 30.4802 176.1513 14 I 4.2261 7.5616 120.1295 60.1596 37.0969 175.1128 15 L 4.5686 8.3656 124.3623 54.2589 42.4354 175.8177 16 R 4.9115 7.5456 120.1838 54.3877 31.7492 176.2839 17 V 3.2710 8.1626 126.6531 66.1641 31.4180 178.1367 18 S 3.8988 7.7966 113.3206 61.4203 62.8152 175.9200 19 E 3.9173 7.9544 122.3945 58.8519 29.4452 178.3204 20 L 4.0519 8.4860 120.7600 58.2278 42.0540 179.1684 21 R 3.9150 7.9323 118.1193 59.1689 29.8627 178.8079 22 Q 3.9301 7.7888 119.3493 59.5606 29.0453 178.0416 23 H 4.1709 8.1552 116.7413 58.8597 28.7161 177.8259 24 L 4.1753 8.4876 121.2096 57.8175 41.4643 179.7359 25 R 3.9415 8.3260 118.2487 59.3517 29.9771 178.9051 26 Q 3.9713 8.4237 119.2618 59.0226 29.0426 177.9269 27 A 4.2954 8.5387 122.2821 55.3756 18.4570 179.4617 28 R 3.7478 8.1502 117.0303 59.9765 30.1582 178.8553 29 T 3.8651 7.9226 115.3596 66.8630 68.2494 176.5237 30 D 4.4973 8.3795 119.9910 57.1087 40.8895 178.4267 31 F 3.1042 7.8907 120.5184 60.9952 39.5945 176.9472 32 R 3.7412 8.2300 117.9702 56.4657 29.8603 181.4036 33 S 3.3282 7.8356 108.2194 59.4231 65.1025 172.4861 34 T 4.4053 8.7996 111.5334 61.2684 68.2234 172.6295 35 L 4.2534 7.4895 120.3299 54.4361 42.3846 177.0569 36 S 4.3547 8.0739 115.0818 57.9558 64.3883 173.8797 37 Q 4.3630 7.7743 117.2608 57.2897 29.3244 176.0174 38 F 5.2001 7.2702 117.1671 55.6812 41.6149 174.9641 39 V 4.2665 8.5728 125.4729 61.4263 32.8306 174.6336 40 Y 4.9430 8.5608 125.9042 57.4778 38.7184 175.2886 41 F 4.8135 7.8297 112.2945 56.8596 42.7835 173.9858 42 N 5.1026 7.1995 120.2451 51.2468 40.2024 173.9332 43 R 4.3332 8.6307 125.0038 56.0623 30.8710 176.3565 44 S 4.3887 8.7269 117.7140 58.2552 63.1260 174.2827 45 V 3.8325 8.6330 127.5843 65.4794 31.6683 177.5803 46 V 3.8007 7.9548 117.7384 64.8381 32.1962 175.4793 47 N 4.9664 8.4945 117.7182 49.7136 38.5387 171.5170 48 P 4.5210 0.0000 0.0000 64.2497 32.0907 177.5616 49 N 4.4258 9.0485 116.7537 52.8965 36.5436 173.6500 50 A 4.5951 7.4067 119.8829 49.9871 22.0173 175.0802 51 Y 4.6770 7.8895 116.9598 57.0295 39.0746 176.7898 52 D 4.8263 8.8755 121.7955 53.5111 40.6472 175.7942 53 D 4.8579 8.7266 118.7521 55.2864 41.1868 175.7534 54 E 4.6163 8.3721 122.1452 55.0209 30.8123 174.8765 55 Y 4.8802 7.6426 123.9109 54.8249 41.8951 174.4409 56 L 4.3084 9.2832 122.8296 54.8112 43.4254 176.5134 57 L 4.8956 8.5070 124.2737 53.9813 41.3995 177.6126 58 S 4.2612 9.0323 120.3316 59.9710 63.5196 175.4489 59 D 4.4974 7.8647 120.1445 53.1315 39.5013 175.8440 60 Q 4.5405 7.0293 116.1490 54.7245 30.8848 175.3268 61 R 4.0883 7.9711 117.2300 55.5709 30.8022 176.7791 62 L 4.1517 8.0918 120.3735 55.2474 42.3573 176.3839 63 T 4.1287 8.1204 111.8623 59.7819 72.8826 171.9292 64 Y 4.8798 8.3540 118.6571 55.9693 41.4846 175.1309 65 V 4.6718 8.6803 123.8701 61.3020 33.9836 173.9370 66 Y 4.9967 8.8791 125.9877 57.7586 38.9362 175.2333 67 V 5.0602 9.4023 116.0641 59.2152 37.2399 174.4229 68 D 5.3467 8.6665 121.0877 51.7235 41.0319 177.1805 69 E 2.9582 8.5095 119.3595 58.9092 29.2482 178.7281 70 V 3.5056 7.5650 117.6901 66.5195 31.6384 178.0162 71 T 3.9679 8.6436 115.4470 66.5714 68.2434 176.5231 72 A 4.0088 8.0888 122.9014 55.0084 18.3210 179.8127 73 Q 3.8505 8.1459 116.6294 58.9482 28.4204 178.3058 74 L 3.9124 8.1163 121.5945 58.5563 42.1330 178.9071 75 C 4.0714 8.4622 116.6858 62.7523 28.0603 176.0739 76 G 3.7947 7.8194 105.7907 47.8266 0.0000 174.7897 77 L 4.5106 7.5438 117.5420 54.7477 42.0599 176.9576 78 N 4.9353 7.2040 115.0555 52.1977 40.3067 174.7561 79 R 3.9279 8.1550 115.0467 57.8467 27.5120 175.3114 80 L 5.5084 8.1179 115.1902 52.8333 46.0499 177.6225 81 L 4.8158 8.9723 123.8904 52.6961 44.7850 173.7464 82 P 5.1869 0.0000 0.0000 61.5034 33.2480 175.7412 83 S 4.6933 9.1650 116.6799 57.8289 64.4171 173.8777 84 N 5.7310 9.1902 117.2745 51.2414 38.6199 173.6482 85 S 4.7821 7.9570 112.2778 56.8532 65.4764 171.5758 86 P 4.2842 0.0000 0.0000 62.4260 31.6470 175.3959 87 A 3.0140 8.7870 117.2999 53.2540 15.8314 177.5917 88 F 3.8765 7.7652 113.3225 59.9336 36.6518 175.7538 89 G 4.0898 7.7264 107.1133 46.1984 0.0000 173.7056 90 T 5.1593 8.9216 120.4736 61.5782 71.4801 173.0918 91 V 4.8075 9.6393 127.5646 61.5621 32.7665 174.8831 92 A 5.1521 9.4480 129.1876 50.6264 22.8645 174.3715 93 T 4.6537 8.3565 112.0222 60.2131 71.2605 173.3539 94 A 4.4731 8.4957 129.5265 51.4390 17.1771 175.1897 *96 P 2.9700 0.0000 0.0000 61.4555 32.2675 176.7577 97 P 4.0755 0.0000 0.0000 64.4365 31.1819 177.2729 98 W 4.6296 6.5820 112.9196 56.0777 28.9892 177.0668 99 L 3.9534 7.4332 121.8438 57.7271 41.6121 176.6452 100 L 4.7828 7.1306 115.8826 52.2590 44.4476 176.0205 101 D 4.5855 8.0797 118.9370 52.3823 40.1233 175.9654 102 P 4.2178 0.0000 0.0000 65.6239 31.9736 178.2006 103 Q 4.1335 8.3850 117.2429 59.1938 28.9771 179.4218 104 E 4.2674 7.8401 114.8746 56.7140 28.9795 178.5212 *106 N 4.4346 8.3576 119.2934 53.5462 40.4802 176.1133 107 A 4.0166 7.6990 119.3095 55.0679 18.2804 179.8090 108 I 3.4948 7.4620 117.7261 64.4638 37.2715 178.5131 109 L 3.7526 7.6039 119.2102 57.9819 41.1783 179.4545 110 Q 3.8510 8.1196 117.0436 59.0472 28.6615 178.5488 111 Q 4.0745 7.4939 119.1536 59.0359 29.1277 177.9435 112 S 4.2624 7.6921 115.7028 59.6338 63.2372 174.4673 113 C 5.1239 7.3134 117.4825 56.5261 31.1155 174.4669 114 G 3.9118 8.6288 113.1886 44.9551 0.0000 172.5616 115 Q 4.2913 8.0371 117.8319 55.6029 29.7785 176.0305 116 G 3.7979 8.6156 106.8669 45.5466 0.0000 174.2737 117 G 4.0244 7.5926 108.8033 43.8938 0.0000 173.3301 118 F 4.0683 9.2172 121.3288 60.6060 39.6394 175.8405 119 V 4.0664 8.2888 121.0372 61.1126 32.5969 173.9744 120 N 4.5804 8.1559 124.8053 51.6433 39.8019 174.1487 121 Y 5.0487 7.8790 123.5655 60.1940 38.2028 177.9061 122 H 4.4732 8.3186 115.9557 57.5808 28.8667 175.8929 123 H 4.4367 8.0125 116.3340 56.3913 28.9773 174.7523 124 G 3.8917 8.2030 105.7195 43.5527 0.0000 172.6192 125 P 4.7923 0.0000 0.0000 64.7246 31.2277 179.1775 126 S 4.3044 8.2778 112.7333 61.2788 62.9815 175.8311 127 T 4.4408 8.4119 110.5325 62.9693 68.9849 174.9266 128 N 5.4382 8.5334 119.7511 53.0907 38.1796 175.6579 129 S 4.5495 8.4669 114.3658 60.2259 64.2948 173.2527 130 F 5.3130 9.0746 118.9227 55.4905 43.5473 173.5946 131 F 5.3304 9.0738 113.8270 55.4928 41.6909 173.3570 132 L 5.1961 9.1696 120.7171 53.1374 44.2352 175.1476 133 A 5.0392 9.1448 126.6116 50.5118 20.9287 175.9593 134 I 4.5714 8.2410 115.2561 59.3136 41.5927 175.6768 135 L 4.3665 7.5663 123.4852 53.5910 43.6365 175.3558 *137 S 4.7527 8.4644 113.6336 58.9463 63.9450 174.0716 138 Q 4.0821 7.8996 116.8264 57.9785 28.4204 177.1662 139 L 3.9840 7.3277 118.2380 56.5942 41.9213 177.1956 140 F 4.4679 7.9204 118.9661 56.9571 39.5319 174.7040 141 I 4.7641 8.6113 119.2703 58.7487 40.8495 174.8087 142 R 4.1668 8.6962 125.0241 56.5608 30.3755 176.4790 143 I 4.6375 8.4654 119.8098 61.7816 39.9061 175.5336 144 R 4.5958 7.4796 120.1842 55.6615 33.4383 173.3457 145 T 5.2237 8.5384 119.7740 61.9097 71.4898 172.9613 146 D 4.9650 9.3800 126.6937 52.6413 43.2390 175.5026 147 V 4.6865 8.4833 124.1487 61.8580 32.8252 175.1675 148 I 4.5024 8.9819 128.8899 60.7004 40.1095 175.9600 149 R 3.5230 9.9039 126.0509 57.3567 27.4618 177.2630 150 G 3.9406 8.3717 103.1419 45.2876 0.0000 172.6828 151 Q 4.4896 7.9235 121.8956 53.9574 31.5235 174.5108 152 G 4.1946 8.4816 113.7334 45.7310 0.0000 172.2787 153 Y 4.7683 9.0080 122.6870 55.7159 41.0587 175.5837 154 G 3.8859 8.8305 111.6979 45.9607 0.0000 172.1254 155 W 5.2298 9.1193 123.4040 54.8754 32.2644 174.5797 156 Y 5.3670 9.4696 120.1965 56.3157 42.2495 174.1592 157 A 5.1074 9.1566 123.0740 50.2284 22.8340 174.8976 158 R 4.1009 8.7339 123.1616 55.0061 31.1073 175.6741 159 L 3.4118 9.3987 127.9197 57.7199 40.2549 174.0784 160 G 4.0204 8.2986 112.7117 46.2913 0.0000 173.2403 161 N 4.7221 7.9884 114.6961 51.6192 37.2129 173.6655 162 Y 4.8423 7.6477 117.8405 55.9936 42.4493 174.9889 163 V 4.5099 8.2108 115.3883 58.8073 35.0099 175.5656 164 E 4.1962 8.6087 119.5798 56.3409 29.7543 176.2466 165 E 4.1091 8.8452 122.5894 58.2335 30.0403 176.2760 166 G 4.2089 8.9624 113.4117 45.8519 0.0000 174.7617 167 E 4.4457 7.0548 124.3095 55.3127 28.5858 178.2171 *184 E 4.1608 8.7072 117.5730 56.0621 30.1120 174.8832 185 T 4.3985 8.4580 115.1471 62.3744 70.4338 175.2751 186 R 4.3647 8.1169 121.0855 56.1163 31.1523 176.0254 187 E 4.3460 9.7494 124.6421 55.2264 30.6783 174.9889 188 F 5.4347 7.6028 120.7075 55.8552 41.3312 173.6345 189 Q 4.2616 8.9024 118.2888 55.4350 29.2554 176.3703 190 L 4.5122 7.8666 121.6503 53.1844 42.8170 175.4917 191 S 4.0552 7.6296 116.3270 57.2905 65.3073 175.3628 192 D 4.8264 8.6604 119.1817 56.2780 41.8593 176.3376 193 L 5.0404 7.8762 117.5049 52.9624 44.7901 175.7931 194 I 4.6056 8.5908 118.3040 58.8860 40.6756 174.6207 195 H 4.9217 9.2660 124.9726 57.0276 30.2012 174.1382 196 Y 4.1417 8.4970 124.3792 55.8456 42.3546 172.0725 197 P 4.4052 0.0000 0.0000 62.6850 32.0978 175.6915 198 I 4.3043 8.3229 125.4756 59.7002 39.0218 175.7247 199 V 3.9430 8.2662 125.5783 65.6544 32.2230 175.5141 200 A 5.4031 7.8881 120.0955 50.4565 23.0407 174.4402 201 L 4.9045 8.6674 119.2085 54.3873 44.3833 175.9460 202 G 3.7843 7.1942 105.7300 46.0487 0.0000 171.7640 203 S 4.3581 8.6491 114.2080 57.0680 63.6574 173.9236 204 C 4.4602 8.4807 122.5856 60.2799 28.6076 174.7461 205 H 4.6137 7.8450 118.5404 54.0583 26.7580 173.9378 206 L 5.0161 7.7510 123.1138 53.0213 45.2615 176.8943 207 T 4.1910 8.5145 108.5788 62.3929 68.7656 173.5868 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 8.17 4.24 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 1.23 0.00 0.00 3 V 8.19 4.11 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 0.79 0.00 0.00 0.92 0.00 0.00 4 P 0.00 4.46 0.00 2.12 1.99 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 5 T 8.48 3.95 4.32 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 1.27 0.00 0.00 6 W 8.84 4.41 0.00 3.38 3.19 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 7 Q 7.53 4.30 0.00 1.65 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.65 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 8 V 8.08 3.71 2.21 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 0.67 0.00 0.00 1.08 0.00 0.00 9 R 8.79 4.16 0.00 1.90 1.99 0.00 3.34 0.00 0.00 3.04 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 10 D 8.68 4.70 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.88 4.71 0.00 1.84 1.67 1.11 0.86 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 12 R 7.90 4.05 0.00 1.89 2.14 0.00 3.39 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.74 0.00 13 R 7.93 4.21 0.00 1.80 1.97 0.00 3.19 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 14 I 7.56 4.23 2.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.49 0.93 0.00 0.00 15 L 8.37 4.57 0.00 1.69 1.76 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.55 4.91 0.00 1.84 1.76 0.00 3.17 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 1.56 1.61 0.00 17 V 8.16 3.27 1.82 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 -0.03 0.00 0.00 0.88 0.00 0.00 18 S 7.80 3.90 0.00 3.99 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 19 E 7.95 3.92 0.00 2.04 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 2.46 2.39 0.00 20 L 8.49 4.05 0.00 1.86 1.73 1.18 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.93 3.92 0.00 1.85 1.86 0.00 2.21 0.00 0.00 2.70 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.12 0.00 22 Q 7.79 3.93 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 23 H 8.16 4.17 0.00 3.46 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.49 4.18 0.00 1.98 1.88 1.28 1.18 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 25 R 8.33 3.94 0.00 2.02 2.00 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 26 Q 8.42 3.97 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 27 A 8.54 4.30 1.60 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 0.00 0.00 28 R 8.15 3.75 0.00 1.98 2.07 0.00 3.18 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 29 T 7.92 3.87 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 30 D 8.38 4.50 0.00 3.02 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 31 F 7.89 3.10 0.00 1.58 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 32 R 8.23 3.74 0.00 1.98 1.89 0.00 3.41 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 33 S 7.84 3.33 0.00 4.04 3.68 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 34 T 8.80 4.41 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 1.19 0.00 0.00 35 L 7.49 4.25 0.00 1.64 1.49 0.64 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.07 4.35 0.00 3.86 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 37 Q 7.77 4.36 0.00 0.93 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.87 0.00 0.00 0.00 0.00 0.00 2.32 1.90 0.00 38 F 7.27 5.20 0.00 2.68 2.34 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 39 V 8.57 4.27 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 0.91 0.00 0.00 0.85 0.00 0.00 40 Y 8.56 4.94 0.00 2.28 2.28 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 41 F 7.83 4.81 0.00 3.02 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.20 5.10 0.00 2.74 2.85 0.00 0.00 7.25 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.89 4.68 0.00 2.75 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 52 D 8.88 4.83 0.00 2.97 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 53 D 8.73 4.86 0.00 3.00 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 54 E 8.37 4.62 0.00 2.08 1.71 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 2.53 2.28 0.00 55 Y 7.64 4.88 0.00 2.52 1.43 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 56 L 9.28 4.31 0.00 1.58 1.51 0.65 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.51 4.90 0.00 1.58 1.62 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 58 S 9.03 4.26 0.00 3.97 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 59 D 7.86 4.50 0.00 2.71 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 60 Q 7.03 4.54 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.96 6.97 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 61 R 7.97 4.09 0.00 1.71 1.81 0.00 3.17 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 62 L 8.09 4.15 0.00 1.21 1.13 0.93 0.56 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 63 T 8.12 4.13 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 0.78 0.00 0.00 64 Y 8.35 4.88 0.00 2.61 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 0.00 0.00 0.00 0.00 65 V 8.68 4.67 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 1.09 0.00 0.00 0.91 0.00 0.00 66 Y 8.88 5.00 0.00 2.98 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 67 V 9.40 5.06 2.21 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 0.47 0.00 0.00 1.09 0.00 0.00 120 N 8.16 4.58 0.00 2.56 2.39 0.00 0.00 7.23 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 0.00 121 Y 7.88 5.05 0.00 3.12 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 0.00 122 H 8.32 4.47 0.00 3.27 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 H 8.01 4.44 0.00 3.31 3.34 0.00 5.62 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.20 3.89 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 0.00 0.00 0.00 125 P 0.00 4.79 0.00 2.23 2.14 0.00 3.93 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 126 S 8.28 4.30 0.00 4.11 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 0.00 127 T 8.41 4.44 4.43 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 1.42 0.00 0.00 128 N 8.53 5.44 0.00 2.83 3.03 0.00 0.00 6.87 6.79 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 0.00 129 S 8.47 4.55 0.00 4.07 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 0.00 130 F 9.07 5.31 0.00 3.16 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 0.00 131 F 9.07 5.33 0.00 2.72 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 0.00 132 L 9.17 5.20 0.00 1.56 1.60 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 133 A 9.14 5.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.24 4.57 1.82 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.38 0.83 0.00 0.00 135 L 7.57 4.37 0.00 1.27 1.43 0.74 0.68 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 *137 S 8.46 4.75 0.00 4.14 4.34 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 0.00 138 Q 7.90 4.08 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.13 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 139 L 7.33 3.98 0.00 1.42 1.40 0.19 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 140 F 7.92 4.47 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.61 4.76 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.79 0.95 0.00 0.00 142 R 8.70 4.17 0.00 1.86 1.80 0.00 2.88 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.27 0.00 143 I 8.47 4.64 1.92 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.84 0.98 0.00 0.00 144 R 7.48 4.60 0.00 1.84 1.76 0.00 2.99 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 145 T 8.54 5.22 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 1.24 0.00 0.00 146 D 9.38 4.97 0.00 2.93 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 0.00 147 V 8.48 4.69 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 0.81 0.00 0.00 0.95 0.00 0.00 148 I 8.98 4.50 2.04 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 1.33 0.65 0.93 0.00 0.00 149 R 9.90 3.52 0.00 1.96 1.99 0.00 3.27 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 150 G 8.37 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 0.00 151 Q 7.92 4.49 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 1.36 1.97 0.00 152 G 8.48 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 0.00 0.00 0.00 0.00 153 Y 9.01 4.77 0.00 2.95 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 0.00 154 G 8.83 3.89 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 0.00 0.00 0.00 155 W 9.12 5.23 0.00 3.15 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 0.00 156 Y 9.47 5.37 0.00 2.94 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 A 9.16 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 R 8.73 4.10 0.00 0.67 0.94 0.00 2.78 0.00 0.00 2.84 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.97 0.00 159 L 9.40 3.41 0.00 2.03 1.62 1.15 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.30 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 0.00 0.00 0.00 161 N 7.99 4.72 0.00 2.41 2.62 0.00 0.00 6.55 7.46 0.00 0.00 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 Y 7.65 4.84 0.00 3.07 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 0.00 163 V 8.21 4.51 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 0.82 0.00 0.00 0.97 0.00 0.00 164 E 8.61 4.20 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 165 E 8.85 4.11 0.00 1.93 1.90 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 2.32 2.27 0.00 166 G 8.96 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 0.00 0.00 0.00 167 E 7.05 4.45 0.00 1.95 1.43 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 2.33 2.26 0.00 *184 E 8.71 4.16 0.00 2.07 1.92 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 2.47 2.42 0.00 185 T 8.46 4.40 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 1.23 0.00 0.00 186 R 8.12 4.36 0.00 2.26 2.20 0.00 3.30 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 187 E 9.75 4.35 0.00 1.96 1.84 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 2.21 2.18 0.00 188 F 7.60 5.43 0.00 3.03 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 0.00 189 Q 8.90 4.26 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.02 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 190 L 7.87 4.51 0.00 1.39 1.13 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 191 S 7.63 4.06 0.00 3.90 3.65 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 0.00 0.00 0.00 0.00 192 D 8.66 4.83 0.00 2.90 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 0.00 193 L 7.88 5.04 0.00 1.39 1.42 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 194 I 8.59 4.61 2.15 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 1.29 1.46 1.00 0.00 0.00 195 H 9.27 4.92 0.00 3.25 3.76 0.00 5.98 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 0.00 196 Y 8.50 4.14 0.00 3.00 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 0.00 197 P 0.00 4.41 0.00 1.54 2.04 0.00 2.20 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.87 0.00 198 I 8.32 4.30 1.95 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 1.37 0.86 0.97 0.00 0.00 199 V 8.27 3.94 2.02 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 0.85 0.00 0.00 0.04 0.00 0.00 200 A 7.89 5.40 1.36 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 0.00 201 L 8.67 4.90 0.00 1.65 1.66 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 202 G 7.19 3.78 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 0.00 0.00 0.00 203 S 8.65 4.36 0.00 3.72 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 0.00 204 C 8.48 4.46 0.00 2.77 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 0.00 205 H 7.84 4.61 0.00 3.10 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 L 7.75 5.02 0.00 1.68 1.63 1.18 1.02 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 0.00 207 T 8.51 4.19 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.