NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2335 8.0333 115.2355 61.3547 68.8790 174.6437 3 K 3.4700 8.3867 123.7075 58.8092 31.9389 177.7937 4 Q 3.9817 8.9549 120.5139 59.4227 29.2656 177.8230 5 E 4.1477 8.0461 118.8024 58.3381 29.4231 179.2674 6 K 4.0383 8.6314 119.5218 59.2916 32.3425 178.9147 7 I 3.9750 8.1134 116.7102 64.0064 38.0418 177.3319 8 E 4.1915 8.2124 119.4577 59.3269 29.5650 178.9903 9 K 4.1534 8.1421 119.2829 59.3823 32.2319 178.7324 10 T 4.3308 8.6707 114.2897 65.1552 67.1434 176.2745 11 I 3.8619 7.7703 121.1524 64.0738 36.9987 178.0909 12 T 3.9805 7.6954 116.1087 65.5466 68.7868 176.5748 13 F 3.8599 8.0876 122.7957 61.1031 39.3794 177.4207 14 V 3.2888 7.8570 117.6874 65.7890 31.2372 178.0258 15 K 3.7519 7.3394 116.9359 59.7249 31.2986 178.6326 16 H 4.1874 8.0195 116.3878 58.5083 28.6836 177.3323 17 I 4.0872 7.1674 119.8226 64.1324 36.6778 177.1596 18 L 4.0306 7.7096 117.8461 56.0383 41.5228 178.0799 19 E 4.4206 9.3057 120.0745 57.8726 29.8518 177.5995 20 K 4.2279 7.1530 113.9760 57.1412 32.7548 175.7194 21 D 4.2847 8.0726 123.7767 55.1691 47.3800 178.2345 22 A 3.1465 9.0051 113.7846 50.6212 19.6984 179.2356 23 S 4.5279 5.8100 109.9512 57.0610 66.5725 175.9100 24 G 4.0390 8.9628 114.5624 46.5066 0.0000 173.5914 25 H 4.9370 8.6039 121.9962 57.0625 30.7877 176.1263 26 D 4.7328 8.1170 117.6150 55.0832 40.5412 177.7896 27 W 4.1254 8.0472 129.3788 60.8387 30.7586 177.3351 28 Y 3.5725 8.5451 116.0375 60.9385 37.2546 178.3613 29 H 4.1645 7.9941 118.7753 58.9929 30.1092 176.8040 30 I 3.3757 6.9822 121.4740 64.3444 36.8936 178.1803 31 R 3.2947 6.7703 119.3260 59.3226 29.5778 178.1583 32 R 3.6833 7.0277 116.7770 59.7039 29.9425 178.2135 33 V 3.7598 7.2107 116.3488 66.1342 31.9069 177.0958 34 H 4.2880 8.1559 118.1724 59.1952 29.6700 178.9186 35 K 3.6693 8.4754 119.6899 56.6094 32.2588 178.7431 *37 A 4.2324 8.0802 124.1088 52.2602 19.9657 178.9273 38 I 3.8096 7.1641 117.5284 63.0808 36.6660 178.2336 39 S 4.3028 7.9720 121.2747 61.4123 63.3400 176.9045 40 L 4.1117 7.4924 123.3500 57.9459 41.8238 179.0268 41 S 4.3488 8.1607 114.6585 61.2846 62.6197 177.4690 42 E 4.4322 7.9760 120.0777 55.4354 29.2923 177.7518 43 Q 4.6768 8.7400 117.8261 57.7504 33.4233 174.0914 44 E 4.6330 7.9493 112.3349 55.8676 32.6628 176.4627 45 G 3.8363 7.9458 104.2724 44.8860 0.0000 172.6197 46 G 3.9473 8.5508 113.1903 45.0218 0.0000 173.3638 47 N 4.4715 10.8331 118.3487 53.8531 39.1229 175.5524 48 R 3.7927 8.9805 125.9080 59.5520 29.9154 178.2386 49 F 4.2101 8.1065 121.9320 61.7971 39.9185 177.8018 50 I 3.6161 7.4949 116.3888 64.3882 37.1924 177.8490 51 I 3.8721 7.9035 120.8073 64.6791 36.9923 179.2680 52 E 4.1035 8.4653 115.6300 57.0443 28.9950 178.8587 *54 A 4.1466 7.9674 122.2363 52.1975 20.4448 179.6205 55 A 3.9039 8.1453 117.6741 55.3067 18.4254 178.9183 56 L 4.2700 7.8762 113.8209 56.4553 41.9625 177.5068 57 L 4.8626 8.3188 117.4841 54.0992 43.3674 177.9485 58 H 4.2627 8.4552 115.3592 58.4606 28.9800 176.4225 59 D 4.3612 7.8016 119.4394 56.3771 41.0434 178.2636 60 V 3.7162 7.4346 117.3919 64.4400 31.7028 176.2942 61 A 4.5647 7.7892 120.6562 53.3657 21.3713 177.1481 62 D 4.3511 7.1512 105.0932 56.1737 40.4660 177.6674 *65 L 4.2757 8.8577 113.1152 55.1378 41.7891 177.3289 66 N 4.5182 8.3404 118.2937 55.8056 38.9902 174.2176 67 E 4.4771 8.2933 123.0569 55.3253 36.0977 176.7797 68 S 4.2685 8.9962 123.6254 58.5298 65.3687 174.9707 69 E 3.6541 8.6947 125.7968 56.9068 27.6800 173.5747 70 E 4.9112 8.7194 113.0916 57.9474 27.9679 177.7851 71 A 4.3349 7.6746 121.8300 53.2883 20.0671 178.8182 72 G 3.8892 7.3533 106.6685 45.3662 0.0000 175.2286 *74 K 4.1897 7.8160 119.7851 55.6754 34.4138 177.1388 75 K 4.0891 7.4264 116.5865 59.5479 32.3514 178.3547 76 V 3.9888 8.2088 118.7081 65.7741 31.1563 177.2753 77 S 4.1088 8.2961 112.4404 61.9634 62.0204 175.5059 78 D 4.5483 8.4659 121.0870 54.9930 39.1331 178.1294 79 W 4.1960 7.6776 129.5594 60.4095 30.7084 177.8891 80 L 3.7735 7.9655 118.6064 57.4474 40.8904 179.6806 81 E 3.7774 7.8334 118.3236 59.3911 29.4174 178.4808 82 E 3.7024 7.1382 116.3272 58.8602 29.6415 177.9370 83 L 4.1385 6.9143 115.9607 53.1377 42.0485 174.9128 84 H 3.7856 8.1501 118.0776 56.0852 26.6090 174.9122 85 V 4.2227 7.8611 123.7418 61.1354 33.1857 174.3881 86 E 3.7815 8.7513 126.1281 56.4218 29.8171 178.2331 87 E 3.3729 9.1355 124.0674 59.5741 29.1803 178.5376 88 E 3.9011 8.2827 117.9308 58.4998 29.7775 177.4219 89 E 4.5146 8.9367 118.6048 57.9729 30.9553 177.8945 90 S 4.0917 8.0725 112.6117 61.5633 62.1621 175.9684 91 K 3.8989 8.0265 120.8926 59.5052 31.6397 177.3659 92 H 4.6521 8.5059 118.4512 58.6244 30.0939 176.6692 93 V 3.6782 7.6675 120.3328 65.5028 31.2713 177.0102 94 L 4.1875 8.0297 117.6069 57.8439 40.4484 178.0749 95 H 4.4821 8.3235 120.7712 58.5389 29.9715 176.6758 96 I 3.4437 7.9081 114.3554 64.0291 37.2017 177.5712 97 I 3.8415 7.7641 118.0608 62.6201 37.8000 176.6753 98 A 4.3150 8.2552 121.1798 53.1968 19.4207 177.5536 99 N 4.0562 8.0373 113.6910 54.6666 36.8687 178.2739 *112 S 4.1671 9.1324 125.6970 58.5536 64.0638 171.2540 113 I 3.6607 8.2774 129.6552 64.2607 37.8199 177.0607 114 E 4.0436 8.3694 118.9714 59.5414 29.2618 179.3516 115 G 3.5617 7.9791 104.8622 47.9044 0.0000 175.1720 116 K 3.8379 8.5972 123.2401 59.2980 31.9952 178.5215 117 L 3.9548 8.1662 118.9465 57.7549 41.6151 179.3580 118 V 3.5086 7.6440 118.2128 66.3221 31.4103 177.9111 119 Q 3.9853 8.3403 119.1421 59.1315 28.4422 177.7475 120 D 4.4235 8.0169 119.2970 56.5025 40.7094 177.8791 121 A 4.1820 7.9941 120.0088 53.3847 18.8935 178.1205 122 D 4.5082 7.6095 116.1207 56.4324 41.6901 178.4009 123 R 3.9177 7.7311 118.0333 59.3152 30.2876 178.1163 124 L 4.1077 7.6822 118.4185 57.1901 42.0177 177.3266 125 D 4.9759 7.6352 118.6767 53.5426 40.6352 176.1158 126 A 4.5932 7.6294 119.4684 52.0484 23.1592 176.6761 127 L 4.5160 7.6639 114.7624 53.9928 43.5410 176.6445 128 G 3.9256 8.7172 106.0420 45.0781 0.0000 174.4308 129 A 4.0062 8.4629 119.1280 55.4129 18.0511 179.4678 130 I 3.7371 8.0247 117.5295 64.7429 37.2046 178.3850 131 G 3.7922 8.1769 107.5506 47.3337 0.0000 175.2467 132 I 3.7675 7.8078 122.2035 64.0535 37.0245 177.8283 133 A 4.1143 8.4376 121.2401 55.5010 18.2877 179.3167 134 R 3.8045 9.4871 116.9551 60.8747 29.9467 177.9340 135 T 3.7508 8.4336 115.8564 65.8531 68.2309 176.2458 136 F 4.3112 7.9829 119.3550 60.9442 39.2158 177.8607 137 A 4.0421 8.4309 120.4263 55.5398 18.2549 179.0177 138 Y 4.2866 8.5761 118.2418 60.6582 38.6327 178.8201 139 G 3.7495 8.1456 108.5824 46.9993 0.0000 175.7995 140 G 3.7244 8.5412 108.6685 47.4267 0.0000 175.4100 141 A 3.9710 7.6539 122.1632 54.7752 18.6438 179.6792 142 K 3.9957 7.8751 114.6681 56.3854 33.3143 176.3352 143 G 3.6944 7.9392 108.6587 45.4401 0.0000 172.6064 144 R 4.6895 7.9612 119.4926 54.3687 35.3010 177.2424 145 L 4.6042 8.3843 127.4635 55.1500 43.7832 176.6574 *147 Y 4.8549 8.4049 128.0102 59.0230 40.1497 174.4224 148 D 4.0099 7.3286 122.0528 52.6402 43.2422 174.1876 149 P 4.2718 0.0000 0.0000 64.6760 31.4877 177.1658 150 T 4.2176 8.2290 115.6501 64.7156 68.8240 175.0929 151 I 4.4112 7.1603 122.2407 58.1087 37.3065 173.3312 152 P 4.5876 0.0000 0.0000 61.0526 32.2584 175.1235 153 P 4.5435 0.0000 0.0000 63.1104 31.4186 174.6279 154 R 4.2639 8.1665 116.6969 57.6141 31.9484 175.8134 *167 D 4.4253 7.6426 120.5266 52.7434 39.6752 173.1998 168 P 4.6554 0.0000 0.0000 62.6211 33.1395 178.3996 169 S 4.0122 8.5848 115.7135 61.6010 62.5577 176.9074 170 L 4.1024 7.9501 122.6009 58.0817 41.7464 178.6185 171 N 4.4408 7.8727 115.2917 56.5015 38.5068 176.4769 172 H 3.7950 7.6354 118.2308 59.5943 29.6000 176.6894 173 F 4.0935 7.3269 118.9557 60.8531 38.4851 177.0775 174 Y 4.2903 7.4208 115.2649 61.6130 37.8841 177.4238 175 E 3.8942 8.2925 118.4742 58.9806 30.1856 178.0915 176 K 4.7367 8.3368 119.1954 55.5482 33.9735 176.8383 177 L 4.6593 7.9440 118.3450 56.5620 45.1721 179.5965 178 L 4.2263 8.1180 116.8179 57.0915 41.6117 177.9010 179 K 4.5236 7.9839 116.6002 56.8532 33.1689 177.2727 180 L 4.3951 7.8472 122.0506 56.4882 42.3481 178.4786 181 K 4.2519 7.9948 115.5803 58.1212 32.7105 176.9638 182 D 4.6293 7.8645 118.3167 54.5609 41.5433 176.7863 183 L 4.3158 7.2306 119.8753 52.9809 39.9979 175.8983 *185 N 4.6049 7.6041 118.7264 53.1548 41.3019 176.9067 186 T 4.1814 8.9993 108.6481 61.5400 71.3697 175.5009 187 N 4.2411 8.6462 117.6312 56.4150 38.6742 177.1899 188 A 3.9205 8.2407 121.8512 55.4778 18.2991 179.6057 189 A 3.9127 7.7620 118.8842 55.2849 18.5374 179.9447 190 K 3.8681 7.8568 116.9218 59.9981 32.2315 178.7759 191 Q 3.9195 8.8559 120.1312 58.9440 28.9065 177.6532 192 E 3.8713 8.5671 119.5832 59.6250 29.6709 179.0602 193 A 4.0366 8.2715 120.6205 55.4711 18.2819 179.4864 194 E 3.8583 8.3138 116.8255 59.4907 29.3919 179.8279 195 V 3.6048 7.6602 117.9579 65.9964 31.4078 178.3224 196 R 3.9456 8.3027 116.8807 59.5401 30.0332 178.1015 197 H 4.2485 8.7128 117.4678 59.3208 30.0770 176.6330 198 R 4.3720 8.2534 121.9939 58.8643 29.7822 178.9720 199 Y 4.3933 7.6831 117.7958 57.8511 38.3595 177.7941 *201 E 4.1527 8.1569 117.5298 56.0310 31.7528 178.2842 202 Q 3.9673 8.1215 117.5973 58.9340 28.5501 178.7540 203 F 3.7708 8.2050 121.9740 61.3322 39.2746 177.1824 204 I 3.2338 7.6801 117.6734 63.4896 36.9348 177.2059 205 E 4.1492 7.4728 119.7469 58.5991 29.6996 177.5237 206 Q 4.1256 7.9613 119.5152 58.2663 29.0703 177.5117 207 F 3.9439 8.3577 119.7958 58.7951 38.9808 176.4544 *209 K 4.8014 7.8733 117.8227 56.7117 34.5556 177.8133 210 E 3.8968 7.8647 118.9597 58.6964 29.5112 178.8898 211 W 4.2613 7.9700 127.8064 59.7443 30.7556 176.1023 212 N 4.7767 8.1172 113.3169 52.2150 38.6897 174.7383 213 A 3.6152 7.8344 118.4897 53.3093 16.3266 177.7565 214 Q 4.1641 8.5992 122.9890 55.4983 29.0872 175.3217 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 4.23 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 1.23 0.00 0.00 3 K 8.39 3.47 0.00 1.66 1.51 0.00 1.39 0.00 0.00 1.34 0.00 0.00 2.69 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.30 0.86 7.81 4 Q 8.95 3.98 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 5 E 8.05 4.15 0.00 2.22 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 2.34 2.35 0.00 6 K 8.63 4.04 0.00 2.16 2.00 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.70 7.81 7 I 8.11 3.98 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.22 1.09 0.00 0.00 8 E 8.21 4.19 0.00 2.29 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 0.00 2.38 2.53 0.00 9 K 8.14 4.15 0.00 2.14 1.98 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.68 7.81 10 T 8.67 4.33 4.66 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 1.38 0.00 0.00 11 I 7.77 3.86 2.11 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 1.68 0.90 0.67 0.00 0.00 12 T 7.70 3.98 4.49 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 0.00 0.00 0.00 1.16 0.00 0.00 13 F 8.09 3.86 0.00 2.35 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 14 V 7.86 3.29 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 1.04 0.00 0.00 1.14 0.00 0.00 15 K 7.34 3.75 0.00 1.71 1.61 0.00 1.27 0.00 0.00 0.65 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.70 0.84 7.81 16 H 8.02 4.19 0.00 3.29 3.18 0.00 5.84 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 17 I 7.17 4.09 1.31 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.03 0.64 0.00 0.00 18 L 7.71 4.03 0.00 1.81 1.69 1.05 0.59 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 19 E 9.31 4.42 0.00 1.92 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 2.18 2.27 0.00 20 K 7.15 4.23 0.00 1.74 1.79 0.00 1.60 0.00 0.00 1.54 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.38 7.81 21 D 8.07 4.28 0.00 2.55 1.86 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 22 A 9.01 3.15 1.17 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 0.00 0.00 23 S 5.81 4.53 0.00 4.02 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 24 G 8.96 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.60 4.94 0.00 3.22 3.35 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.12 4.73 0.00 2.79 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 27 W 8.05 4.13 0.00 3.46 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 28 Y 8.55 3.57 0.00 2.96 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 29 H 7.99 4.16 0.00 3.17 3.44 0.00 5.88 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 30 I 6.98 3.38 1.49 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.89 0.88 0.00 0.00 31 R 6.77 3.29 0.00 0.67 1.07 0.00 3.21 0.00 0.00 3.45 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 32 R 7.03 3.68 0.00 1.94 1.90 0.00 3.55 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 33 V 7.21 3.76 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 0.80 0.00 0.00 0.90 0.00 0.00 34 H 8.16 4.29 0.00 3.18 3.39 0.00 5.85 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 35 K 8.48 3.67 0.00 1.71 1.75 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.52 7.81 *37 A 8.08 4.23 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 38 I 7.16 3.81 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.75 0.94 0.00 0.00 39 S 7.97 4.30 0.00 3.80 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 40 L 7.49 4.11 0.00 1.79 1.64 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.16 4.35 0.00 4.28 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 0.00 42 E 7.98 4.43 0.00 2.22 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 2.47 2.36 0.00 43 Q 8.74 4.68 0.00 1.91 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.80 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 44 E 7.95 4.63 0.00 2.08 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 2.31 2.37 0.00 45 G 7.95 3.84 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 0.00 0.00 0.00 46 G 8.55 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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8.43 4.04 1.50 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 0.00 0.00 138 Y 8.58 4.29 0.00 2.98 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 0.00 139 G 8.15 3.75 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 0.00 140 G 8.54 3.72 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 0.00 0.00 0.00 141 A 7.65 3.97 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 0.00 142 K 7.88 4.00 0.00 1.18 1.54 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.26 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.06 1.35 7.81 143 G 7.94 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 0.00 0.00 0.00 144 R 7.96 4.69 0.00 1.57 1.77 0.00 3.07 0.00 0.00 3.48 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 145 L 8.38 4.60 0.00 1.70 1.43 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 *147 Y 8.40 4.85 0.00 2.80 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 0.00 148 D 7.33 4.01 0.00 2.60 2.35 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 0.00 149 P 0.00 4.27 0.00 2.23 2.12 0.00 3.66 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 150 T 8.23 4.22 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 151 I 7.16 4.41 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.87 0.92 0.00 0.00 152 P 0.00 4.59 0.00 2.19 2.09 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 153 P 0.00 4.54 0.00 2.21 2.35 0.00 3.73 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 1.90 1.74 0.00 154 R 8.17 4.26 0.00 1.77 2.11 0.00 3.45 0.00 0.00 3.28 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 *167 D 7.64 4.43 0.00 2.84 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 0.00 168 P 0.00 4.66 0.00 2.33 2.25 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 169 S 8.58 4.01 0.00 4.02 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 7.95 4.10 0.00 1.71 1.67 0.23 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 171 N 7.87 4.44 0.00 3.04 3.09 0.00 0.00 6.54 8.04 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 0.00 172 H 7.64 3.79 0.00 3.03 2.94 0.00 5.59 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 0.00 173 F 7.33 4.09 0.00 2.79 2.63 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 0.00 174 Y 7.42 4.29 0.00 3.01 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 0.00 175 E 8.29 3.89 0.00 2.04 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 2.28 2.40 0.00 176 K 8.34 4.74 0.00 1.58 1.64 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.32 7.81 177 L 7.94 4.66 0.00 1.93 1.70 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 178 L 8.12 4.23 0.00 1.78 1.94 1.02 0.66 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 0.00 179 K 7.98 4.52 0.00 1.87 1.92 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.37 1.45 7.81 180 L 7.85 4.40 0.00 1.91 1.74 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 181 K 7.99 4.25 0.00 1.79 1.90 0.00 1.26 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.87 1.48 7.81 182 D 7.86 4.63 0.00 2.67 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 0.00 183 L 7.23 4.32 0.00 1.78 1.61 0.91 0.81 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 *185 N 7.60 4.60 0.00 3.00 2.77 0.00 0.00 7.22 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 0.00 186 T 9.00 4.18 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 1.25 0.00 0.00 187 N 8.65 4.24 0.00 3.07 2.90 0.00 0.00 6.64 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 0.00 188 A 8.24 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 A 7.76 3.91 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 0.00 190 K 7.86 3.87 0.00 2.03 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.67 7.81 191 Q 8.86 3.92 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 192 E 8.57 3.87 0.00 2.11 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 0.00 2.31 2.40 0.00 193 A 8.27 4.04 1.38 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 0.00 0.00 194 E 8.31 3.86 0.00 2.29 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 2.33 2.47 0.00 195 V 7.66 3.60 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 1.04 0.00 0.00 1.07 0.00 0.00 196 R 8.30 3.95 0.00 1.96 2.01 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 197 H 8.71 4.25 0.00 3.19 3.52 0.00 5.77 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 0.00 198 R 8.25 4.37 0.00 2.18 2.15 0.00 3.29 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.55 0.00 199 Y 7.68 4.39 0.00 2.98 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 *201 E 8.16 4.15 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.36 0.00 202 Q 8.12 3.97 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 203 F 8.21 3.77 0.00 2.49 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.68 3.23 1.73 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.30 0.76 0.00 0.00 205 E 7.47 4.15 0.00 2.06 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 0.00 2.28 2.30 0.00 206 Q 7.96 4.13 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 207 F 8.36 3.94 0.00 2.41 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 *209 K 7.87 4.80 0.00 2.04 2.09 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.44 7.81 210 E 7.86 3.90 0.00 2.03 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 2.23 2.15 0.00 211 W 7.97 4.26 0.00 3.27 3.18 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 0.00 212 N 8.12 4.78 0.00 2.78 2.84 0.00 0.00 7.07 7.35 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 0.00 213 A 7.83 3.62 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 0.00 214 Q 8.60 4.16 0.00 2.27 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.49 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.