NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3506 8.3149 120.1438 56.6844 33.7356 175.0224 3 Q 4.5330 8.5433 119.6726 54.8035 31.3561 172.9378 4 K 5.0649 8.8297 119.9432 54.6376 36.7560 174.6345 5 I 5.0044 8.8588 124.5923 59.5707 40.1742 174.2140 6 L 5.0733 8.6258 128.3253 53.6149 44.1365 175.0738 7 I 4.9823 8.7669 126.2412 59.5132 41.0713 174.5395 8 V 4.7623 8.7389 126.6838 61.5854 33.7296 173.9579 9 E 4.9572 9.0128 128.8213 55.4930 32.7361 175.5864 10 D 4.4855 8.9721 126.8942 55.1908 40.4763 176.5140 11 S 4.2227 8.1264 114.8634 58.4563 62.1059 173.9882 *13 T 4.2763 8.4166 115.3310 63.9042 69.9975 176.7311 14 I 3.8559 7.6617 120.3206 64.4086 37.5499 177.5332 15 R 4.0370 8.5024 120.9503 59.6546 30.0028 180.4902 16 R 4.2491 7.3019 116.0240 56.3000 29.5155 178.8664 *18 L 4.2481 8.1165 119.5088 55.0572 43.8270 179.5085 19 I 3.6440 7.9988 119.2967 64.3719 37.0144 178.1159 20 Q 3.9031 8.1973 120.1897 59.2006 28.7654 178.4652 21 A 3.9533 7.8397 121.0064 55.2823 18.6379 179.5030 22 I 3.5740 7.8720 118.1768 64.3116 37.0210 178.4440 23 A 3.9279 8.1893 121.8955 55.3114 18.0089 179.5709 24 Q 3.8669 7.8850 116.4932 59.3393 29.2866 177.7326 25 Q 4.2249 8.2060 117.9265 57.4882 29.0869 177.3054 26 T 4.2303 7.7159 108.7039 60.1857 70.5602 175.3615 27 G 3.8309 7.6486 107.7696 45.5090 0.0000 173.6158 28 L 4.0330 7.3868 119.3138 54.0721 42.3851 176.8585 29 E 4.1636 8.4928 122.7228 56.5899 30.9960 175.7415 30 I 5.1439 8.0872 124.8991 59.8778 41.2482 173.9781 31 D 4.9040 9.1739 126.4840 52.4372 43.1870 175.2426 32 A 5.0148 7.9185 124.1704 50.0740 21.8940 175.0424 33 F 5.0178 9.1527 120.6707 55.6991 43.1207 175.6348 34 D 4.9854 9.3028 119.2701 53.0930 40.1218 176.1315 35 T 4.7454 7.4301 108.7587 59.5885 72.3359 173.6135 36 L 4.0043 8.7843 124.1353 58.0836 42.4960 178.8538 37 E 3.9050 9.0301 120.2035 58.8701 29.7936 178.9926 38 G 3.3311 7.9034 107.2096 48.1673 0.0000 173.8320 39 A 3.7064 7.3141 121.6049 51.6282 18.5684 179.2563 40 R 3.8242 7.3027 117.7948 60.7248 29.3873 177.9659 41 H 4.3243 7.9271 113.2328 57.0348 29.0805 175.2621 42 C 4.6561 7.7220 118.6687 59.6959 28.2232 173.0562 43 Q 4.8062 9.1595 122.6412 53.7482 31.1801 176.8585 44 G 3.8156 8.6227 108.0268 48.1578 0.0000 175.4064 45 D 4.5651 8.1171 117.5455 54.5627 39.8717 176.5358 46 E 4.2195 7.8209 117.2523 56.7597 30.7360 175.7200 47 Y 4.8841 7.1887 115.9533 55.7194 40.1187 175.7732 48 V 3.8451 8.6881 125.2622 65.6220 32.0550 176.3335 49 V 4.6292 7.3944 115.5022 60.8618 34.3915 171.2355 50 A 5.1668 8.7985 124.5287 50.2528 21.6108 175.4180 51 L 4.9012 8.9822 123.6692 53.6019 43.5483 176.0044 52 V 4.5119 8.6703 124.5189 60.8047 34.2658 174.2036 53 D 4.7371 8.7758 128.4217 54.2491 41.5752 176.3199 54 L 4.2099 8.2428 124.8637 56.1130 42.6937 177.0561 55 T 4.7499 7.4116 109.6042 59.9502 67.8006 173.8717 56 L 4.5842 8.0306 125.5122 53.3743 43.8028 176.8416 57 P 4.2748 0.0000 0.0000 65.0430 31.4113 177.2142 58 D 4.8183 7.7166 114.4933 52.5708 40.0821 176.9600 59 A 4.6541 7.4402 119.2776 51.9801 21.0255 175.7998 60 P 4.7073 0.0000 0.0000 63.3000 32.6444 177.5842 61 S 4.6569 8.6839 116.1845 58.3898 63.7845 175.0067 62 G 3.9706 8.4591 108.0518 45.7186 0.0000 175.6261 63 E 3.9698 8.1418 119.7207 59.3793 29.3423 178.9112 64 A 3.9615 7.9618 120.2423 54.7207 18.3558 179.5223 65 V 3.4414 7.7218 117.1547 66.2180 31.6542 178.1700 66 K 3.9229 7.9410 118.7311 59.3837 31.9662 178.6893 67 V 3.5698 7.5036 118.5577 66.0708 31.4373 178.0406 68 L 4.1086 8.0015 118.5270 57.5212 41.7141 179.0823 69 L 4.2529 7.9342 120.3396 57.3549 41.3814 179.3146 70 E 4.1817 8.1146 116.5969 58.3011 29.6653 178.3689 71 R 4.3660 7.5574 115.9688 56.0840 30.3887 177.5358 72 G 3.9421 8.0008 107.6364 45.2091 0.0000 172.3947 73 L 4.5143 7.8514 120.3205 52.4321 43.2165 174.7359 74 P 4.4587 0.0000 0.0000 62.7288 32.8580 175.3465 75 V 4.7950 8.3690 122.1922 61.0614 34.9584 173.9749 76 V 4.7725 8.8414 127.8289 61.1257 33.8061 174.4985 77 I 4.2802 8.3300 129.4218 60.9733 37.6431 174.8575 78 L 4.8937 8.8617 127.4039 53.8305 43.0752 175.6440 79 T 4.8369 8.6377 118.0775 60.4075 69.9710 173.8119 80 A 4.3049 8.9267 130.2066 53.8336 19.2380 177.0316 81 D 5.0293 7.8107 113.9329 52.6317 44.7657 174.7024 82 I 4.5744 7.9451 119.8035 58.9261 41.4063 174.6658 83 S 4.5366 7.6508 117.9996 55.9337 66.8333 175.1281 84 E 3.8287 8.5930 122.0219 59.8878 29.2344 179.4481 85 D 4.2356 7.8527 118.1077 57.2563 40.9053 178.9632 86 K 3.2302 7.3274 118.9478 58.8494 31.8784 179.3119 87 R 3.4702 7.4838 119.2775 59.2655 29.9193 178.2157 88 E 3.8392 7.9343 118.7013 59.0853 29.6546 178.3716 89 A 3.9519 7.6878 120.7801 55.0950 18.5479 179.6903 90 W 4.3668 7.8564 117.1609 60.1666 29.0270 178.9028 91 L 4.1824 8.1727 118.8690 57.8023 40.7602 179.5035 92 E 4.0146 8.3085 117.9561 59.1773 29.5378 178.5923 93 A 4.3030 7.9089 118.5208 53.0129 18.5318 178.1492 94 G 3.9341 7.5491 105.7857 44.9960 0.0000 174.0107 95 V 3.7794 7.4186 119.1394 62.3965 32.0702 176.1387 96 L 4.2352 8.8223 127.9296 57.8100 42.1969 176.3128 97 D 4.6911 7.5226 115.9508 54.0650 44.5788 173.7824 98 Y 5.2546 8.4296 118.0563 55.1462 41.1584 175.4095 99 V 4.1089 8.5825 121.7929 61.5196 35.4093 177.0435 *101 K 4.3093 8.6257 118.7456 56.5802 33.7795 176.7858 102 D 4.5455 8.2719 120.4713 56.1179 40.1445 176.3149 103 S 4.6391 7.4477 113.8525 55.7569 67.3730 174.6790 104 R 3.9028 8.5101 122.5653 59.8566 29.6753 178.4251 105 H 4.3266 8.1081 113.8870 58.5749 28.8531 177.2922 106 S 4.3073 7.8101 116.8378 61.1019 63.0816 176.2291 107 L 4.0232 8.0284 123.8952 57.7671 41.7938 178.6432 108 Q 4.0439 7.9951 119.2113 58.9114 28.8723 177.3732 109 Y 3.9339 7.9955 120.7811 60.7949 38.7435 177.9828 110 A 4.1190 8.0870 121.0094 55.1701 18.2444 179.9395 111 V 3.6053 7.9008 116.7930 66.2314 31.6557 178.5978 112 G 3.5489 7.9566 105.0014 47.5424 0.0000 175.2532 113 L 3.8593 7.8259 122.5515 58.1879 42.1724 179.5801 114 V 3.6898 7.9352 112.3278 64.2897 31.3982 178.2297 115 H 4.2930 8.0412 118.4196 59.2559 29.8040 177.1052 116 R 3.8258 8.1493 120.6962 59.6768 29.6436 178.4702 117 L 4.0326 8.0762 117.6737 57.7290 41.3496 178.5813 118 Y 4.2883 8.1429 119.5968 60.8802 38.6253 178.2550 119 L 3.7087 7.9700 119.8060 57.5759 41.6502 179.1850 120 N 4.4324 8.2535 116.2892 55.8962 38.1311 177.2106 121 Q 4.1774 7.2511 119.4746 57.8677 28.8512 177.9194 122 Q 4.3941 7.2867 114.3696 54.7768 29.6087 175.0948 123 I 4.3421 7.3020 122.9592 59.8552 39.3491 174.3902 124 E 5.1121 8.6667 126.4542 55.1367 31.4581 175.5831 125 V 4.9783 8.8834 117.1244 59.3846 36.5510 174.2651 126 L 5.1393 8.6642 122.7832 53.6111 45.4061 174.8900 127 V 4.6017 8.7464 126.4260 61.2354 33.9261 174.4428 128 V 4.8249 8.3686 127.3528 61.5575 34.3658 173.8006 129 D 4.8837 8.8788 125.7072 53.7274 44.7405 175.8152 130 D 4.5953 9.0074 124.9877 54.4518 40.4855 176.5615 131 S 4.4415 8.4279 116.2897 57.1103 62.9805 173.9927 132 R 3.8711 8.5382 130.1138 59.8052 29.9248 178.3541 133 T 3.8155 7.7435 114.8630 66.7703 68.5665 176.6609 134 S 4.0925 7.9086 116.7488 61.4863 62.6314 176.7238 135 R 3.9144 8.2624 120.4441 60.0007 29.9673 178.0704 136 H 4.3928 8.3979 114.9354 58.6699 29.0603 177.5472 137 R 4.1267 7.9485 120.2371 59.5737 29.8776 179.0929 138 T 4.2158 7.8629 113.1276 64.0971 68.3440 176.1924 *140 A 4.2884 7.9608 125.9193 52.4550 20.4896 180.0707 141 Q 4.1012 7.9766 113.3598 59.0473 28.9952 178.6153 142 L 4.1880 8.2474 120.1966 57.6676 41.6800 179.6472 143 R 4.0040 7.9776 117.6551 58.8811 29.8545 178.2362 144 K 4.3462 7.9706 115.8535 57.5003 32.3127 177.8957 145 Q 4.4397 7.9950 118.6279 54.7588 28.3316 176.0596 146 L 3.7202 7.6813 118.8778 55.4342 40.0203 174.2585 147 L 4.3847 7.1930 117.7836 54.7890 42.6027 176.7304 148 Q 4.2707 8.7200 121.5736 55.2876 30.0071 175.0212 149 V 4.6856 8.2630 124.3649 61.4429 33.5692 174.6620 150 H 4.7652 9.2984 125.7821 54.9252 30.7770 173.9194 151 E 5.1624 8.6441 120.4866 54.5229 32.5706 174.7936 152 A 4.8734 9.0838 127.2059 50.5513 22.8531 176.5128 153 S 5.3691 9.3642 116.8462 57.6214 63.4630 174.1184 154 H 4.4948 7.5265 117.1632 54.1231 33.4142 174.2315 155 A 4.0253 8.2049 127.7773 55.2180 18.2429 180.0462 156 R 3.8497 8.3844 116.7476 59.7729 30.0845 178.2223 157 E 3.9364 8.2235 118.2495 59.1402 29.6677 178.4388 158 A 3.9969 7.9975 120.9265 55.1657 18.5824 179.6524 159 L 3.9677 8.3678 117.7010 57.8234 41.7327 179.6349 160 A 4.0254 8.0183 120.7193 55.4459 18.2917 179.8409 161 T 3.8806 8.2328 114.5395 66.7437 68.2944 176.8273 162 L 3.9382 7.8520 119.8579 57.9678 41.7209 179.1699 163 E 4.1214 7.9241 117.1013 59.4264 29.4475 179.0021 164 Q 4.2855 7.7110 116.4831 57.0827 30.4573 176.0110 165 H 4.8038 8.0573 117.2540 53.0619 29.0090 172.0065 166 P 4.3751 0.0000 0.0000 63.7884 31.9023 178.4831 167 A 4.0353 7.8579 121.7244 54.5962 18.5734 177.9893 168 I 3.8886 7.3648 117.3885 62.1658 37.5420 175.8867 169 R 4.5534 8.8026 120.5210 55.8608 31.8442 175.2991 170 L 5.2468 7.6586 121.5597 53.4029 46.0564 174.6694 171 V 4.9352 8.6788 124.8885 61.1163 34.9086 173.8380 172 L 4.9519 9.0062 128.2367 53.2078 43.8126 175.4823 173 V 4.6937 8.5310 124.1634 60.8567 33.8631 174.2900 174 D 4.9358 8.9836 128.6972 54.5090 42.0557 176.6136 175 Y 4.6440 8.3590 121.4853 59.0021 39.2442 175.0172 176 Y 4.8136 7.0010 118.8917 54.5459 41.3887 172.6947 *178 P 3.8600 0.0000 0.0000 63.4275 32.7784 175.5903 179 E 4.1231 9.1249 127.6791 56.3071 28.9678 174.6556 180 I 4.3650 7.0672 119.9351 58.5901 39.7351 175.4167 181 D 4.7065 8.4049 126.6226 52.0781 42.0519 177.0601 182 G 3.8247 9.0031 107.2493 47.8080 0.0000 175.9351 183 I 3.6754 7.6534 122.4824 63.9427 36.8610 178.6337 184 S 4.1126 8.1140 115.2892 61.5049 62.7353 176.1757 185 L 4.1259 7.8372 122.1111 57.9882 42.0955 178.8227 186 V 3.8769 8.1472 118.5222 65.8107 31.4551 178.6299 187 R 4.0824 8.0574 115.3755 57.1508 29.7540 177.8777 *189 L 4.4311 7.8836 118.9959 54.4837 43.0010 179.3593 190 R 4.9191 8.0448 116.3146 58.0100 30.2531 178.5515 191 E 4.0806 8.1865 116.8322 58.3338 29.7042 177.7526 192 R 4.1006 7.1475 116.7952 56.6704 32.0204 175.9946 193 Y 5.0530 7.9998 115.7686 55.7534 40.5844 175.8929 194 S 4.7350 9.2157 119.4982 57.5893 63.9362 175.4384 195 K 4.0684 8.5613 120.0529 59.1634 31.8538 178.3985 196 Q 4.2858 7.6263 116.5575 57.3523 29.2708 177.0477 197 Q 4.1109 7.9744 116.5615 57.8644 29.1510 175.7203 198 L 4.4995 7.4849 119.5398 53.6171 44.0982 175.3999 199 A 4.5209 8.8570 129.4679 52.0020 20.1086 176.1448 200 I 5.0160 9.0990 121.2245 59.7073 41.4799 174.3233 201 I 4.5681 8.7009 128.5348 59.4985 39.2947 175.0062 202 G 2.8485 8.4963 115.6929 44.9712 0.0000 172.5056 203 I 4.8823 8.9146 127.9449 60.9686 38.8289 175.4394 204 S 5.1805 9.4664 121.8574 56.9482 66.8887 172.8034 205 V 4.7661 7.9427 110.9820 60.0808 34.9358 175.9446 206 S 4.3616 9.0547 119.9594 59.5054 62.5204 174.3206 207 D 4.7933 7.8999 116.7946 53.5252 39.5742 180.6902 208 K 4.6306 7.6124 120.6950 55.9462 35.0966 178.2534 209 R 4.1782 8.1810 119.5307 56.2052 27.5349 176.4762 210 G 3.8490 7.9990 114.8968 46.5698 0.0000 173.7733 211 L 3.8126 7.9324 122.1654 57.9414 42.4265 177.4273 212 S 4.3250 8.1191 114.3748 61.7765 62.7200 176.3242 213 A 3.9751 7.9382 122.6627 55.4639 17.9936 179.8015 214 R 3.8615 7.9021 115.9734 59.3171 29.9553 178.6570 215 Y 4.2831 7.9395 116.6716 61.3810 37.8807 179.0445 216 L 4.2710 8.0268 119.4255 57.8674 41.5972 179.7438 217 K 4.0997 8.1985 116.8787 58.5501 31.9921 178.3107 218 Q 4.5310 7.6385 116.4511 55.4470 28.9775 176.1494 219 G 3.9858 8.2650 108.7911 44.9481 0.0000 173.9453 220 A 4.1439 7.8105 122.5164 52.1620 18.8449 178.1860 221 N 4.5622 8.5364 120.3454 56.5785 39.3411 174.3641 222 D 4.7697 7.6820 116.0836 53.4969 44.9602 173.7307 223 F 5.3798 8.2358 115.0092 54.9444 41.4534 174.3661 224 L 4.3975 8.6687 121.3823 53.8240 45.3455 174.4508 225 N 5.2988 9.0040 124.1063 52.8899 39.6366 174.8219 226 Q 4.7929 9.3656 123.2647 54.3682 30.1116 174.2970 227 P 4.4597 0.0000 0.0000 62.3109 32.4592 175.5594 228 F 5.2497 7.4461 113.8249 54.5172 40.9961 175.2000 229 E 4.3630 9.1466 122.3091 55.4410 31.4817 176.3948 230 P 4.4267 0.0000 0.0000 66.1928 31.5273 178.9546 231 E 4.0745 8.2336 116.7715 59.1536 29.3758 179.1387 232 E 3.9460 8.1821 118.4009 59.1793 29.7036 178.5799 233 L 3.6515 7.9580 120.3489 58.3638 42.0859 178.8264 234 Q 4.1430 8.2241 119.2742 59.2259 28.9399 177.8008 235 C 4.0257 7.9490 119.2884 62.5695 31.5451 175.6479 236 R 3.7633 7.9919 120.3139 59.1720 29.5545 178.6153 237 V 3.4615 8.1299 118.4100 66.1112 31.5100 177.9630 238 S 4.0516 8.0876 114.9941 61.9634 62.6052 176.2294 239 H 4.0202 8.1135 120.5922 59.5586 29.7395 177.1090 240 N 4.2893 7.9540 117.9604 56.0680 38.4102 177.5454 241 L 3.9590 8.2075 121.0321 57.6941 41.6250 179.1177 242 E 4.1543 8.7160 120.7497 58.4791 29.3025 178.5376 243 A 3.9182 7.8928 120.4746 55.2677 18.4797 179.2709 244 L 4.0484 7.5278 115.8561 57.9703 41.5665 179.2811 245 E 4.1275 8.1259 118.0069 58.6887 29.2917 177.0106 246 Q 4.3088 8.2534 122.1447 56.0000 29.1189 175.4520 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 K 8.31 4.35 0.00 1.84 1.84 0.00 1.70 0.00 0.00 1.93 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.49 7.81 3 Q 8.54 4.53 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 4 K 8.83 5.06 0.00 1.44 1.58 0.00 1.48 0.00 0.00 1.82 0.00 0.00 2.14 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.43 1.23 7.81 5 I 8.86 5.00 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.31 0.94 0.00 0.00 6 L 8.63 5.07 0.00 0.73 1.21 1.00 0.55 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 7 I 8.77 4.98 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.67 0.89 0.00 0.00 8 V 8.74 4.76 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.95 0.00 0.00 9 E 9.01 4.96 0.00 2.09 1.72 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 2.21 2.28 0.00 10 D 8.97 4.49 0.00 2.83 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 11 S 8.13 4.22 0.00 3.89 3.93 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 0.00 0.00 0.00 *13 T 8.42 4.28 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 14 I 7.66 3.86 1.87 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 1.18 0.46 0.96 0.00 0.00 15 R 8.50 4.04 0.00 1.90 1.93 0.00 3.04 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 16 R 7.30 4.25 0.00 2.04 1.91 0.00 3.19 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 *18 L 8.12 4.25 0.00 1.97 1.74 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.00 3.64 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 0.87 0.00 0.00 20 Q 8.20 3.90 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 21 A 7.84 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.87 3.57 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.93 0.86 0.00 0.00 23 A 8.19 3.93 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 24 Q 7.88 3.87 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 25 Q 8.21 4.22 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 26 T 7.72 4.23 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 1.09 0.00 0.00 27 G 7.65 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 28 L 7.39 4.03 0.00 1.43 1.47 0.80 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.49 4.16 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 80 A 8.93 4.30 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 7.81 5.03 0.00 2.63 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 82 I 7.95 4.57 1.91 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.53 0.95 0.00 0.00 83 S 7.65 4.54 0.00 3.91 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 84 E 8.59 3.83 0.00 1.95 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 2.36 2.36 0.00 85 D 7.85 4.24 0.00 2.54 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.33 3.23 0.00 1.27 0.74 0.00 1.28 0.00 0.00 1.37 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.16 1.03 7.81 87 R 7.48 3.47 0.00 1.66 1.89 0.00 3.29 0.00 0.00 3.12 7.55 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0.00 3.37 3.44 0.00 5.58 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.81 4.31 0.00 4.10 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 0.00 107 L 8.03 4.02 0.00 2.05 1.83 0.92 0.56 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 0.00 108 Q 8.00 4.04 0.00 2.40 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 109 Y 8.00 3.93 0.00 3.20 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.09 4.12 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.90 3.61 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 1.03 0.00 0.00 0.98 0.00 0.00 112 G 7.96 3.55 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 0.00 0.00 0.00 113 L 7.83 3.86 0.00 1.75 1.90 0.96 1.01 0.00 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0.00 0.00 0.00 130 D 9.01 4.60 0.00 2.79 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 0.00 131 S 8.43 4.44 0.00 3.89 3.93 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 0.00 0.00 0.00 132 R 8.54 3.87 0.00 1.85 1.84 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 133 T 7.74 3.82 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 1.19 0.00 0.00 134 S 7.91 4.09 0.00 4.08 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 0.00 135 R 8.26 3.91 0.00 1.93 2.15 0.00 3.40 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 136 H 8.40 4.39 0.00 3.19 3.35 0.00 5.73 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.95 4.13 0.00 1.98 2.03 0.00 3.02 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 138 T 7.86 4.22 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 1.37 0.00 0.00 *140 A 7.96 4.29 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 7.98 4.10 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 142 L 8.25 4.19 0.00 1.71 1.71 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.98 4.00 0.00 2.00 1.98 0.00 3.11 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 144 K 7.97 4.35 0.00 1.95 1.90 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.68 7.81 145 Q 7.99 4.44 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.16 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 146 L 7.68 3.72 0.00 1.90 1.74 1.00 0.65 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 0.00 147 L 7.19 4.38 0.00 1.78 1.57 0.94 0.87 0.00 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2.59 2.52 0.00 164 Q 7.71 4.29 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.13 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 165 H 8.06 4.80 0.00 3.08 3.09 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 P 0.00 4.38 0.00 2.14 2.14 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 167 A 7.86 4.04 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 0.00 168 I 7.36 3.89 1.77 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.43 0.84 0.00 0.00 169 R 8.80 4.55 0.00 1.80 2.07 0.00 2.67 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 170 L 7.66 5.25 0.00 1.68 1.43 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 171 V 8.68 4.94 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 1.06 0.00 0.00 0.91 0.00 0.00 172 L 9.01 4.95 0.00 1.64 1.54 0.94 0.41 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 0.00 173 V 8.53 4.69 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 1.13 0.00 0.00 0.98 0.00 0.00 174 D 8.98 4.94 0.00 2.92 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 0.00 175 Y 8.36 4.64 0.00 3.18 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.00 4.81 0.00 3.03 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 *178 P 0.00 3.86 0.00 2.06 1.95 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 179 E 9.12 4.12 0.00 2.13 2.09 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 2.18 2.32 0.00 180 I 7.07 4.37 1.81 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 1.46 0.77 0.90 0.00 0.00 181 D 8.40 4.71 0.00 3.12 2.78 0.00 0.00 0.00 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0.00 0.00 0.00 199 A 8.86 4.52 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 I 9.10 5.02 1.90 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 1.25 1.21 0.97 0.00 0.00 201 I 8.70 4.57 1.76 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 1.05 0.67 0.72 0.00 0.00 202 G 8.50 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 0.00 0.00 0.00 203 I 8.91 4.88 2.15 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 1.36 1.21 1.25 0.00 0.00 204 S 9.47 5.18 0.00 3.88 4.29 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 0.00 205 V 7.94 4.77 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 0.86 0.00 0.00 0.57 0.00 0.00 206 S 9.05 4.36 0.00 3.86 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 0.00 207 D 7.90 4.79 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 K 7.61 4.63 0.00 1.56 1.63 0.00 1.38 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.29 7.81 209 R 8.18 4.18 0.00 1.83 1.75 0.00 3.38 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 210 G 8.00 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 0.00 211 L 7.93 3.81 0.00 1.62 1.60 0.79 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 212 S 8.12 4.33 0.00 3.61 3.46 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 0.00 0.00 0.00 0.00 213 A 7.94 3.98 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 0.00 214 R 7.90 3.86 0.00 1.91 1.89 0.00 3.10 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 215 Y 7.94 4.28 0.00 3.34 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 L 8.03 4.27 0.00 1.89 1.77 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 217 K 8.20 4.10 0.00 1.81 1.89 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.49 7.81 218 Q 7.64 4.53 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.68 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 219 G 8.27 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 0.00 0.00 0.00 220 A 7.81 4.14 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 0.00 221 N 8.54 4.56 0.00 2.77 3.02 0.00 0.00 6.75 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 0.00 222 D 7.68 4.77 0.00 2.80 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 0.00 223 F 8.24 5.38 0.00 3.05 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 0.00 224 L 8.67 4.40 0.00 1.44 1.26 0.63 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 225 N 9.00 5.30 0.00 2.81 2.87 0.00 0.00 7.14 7.69 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 0.00 226 Q 9.37 4.79 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.55 0.00 227 P 0.00 4.46 0.00 2.12 2.00 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 228 F 7.45 5.25 0.00 3.16 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 0.00 229 E 9.15 4.36 0.00 2.11 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 2.39 2.54 0.00 230 P 0.00 4.43 0.00 2.24 2.20 0.00 3.68 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 2.19 2.50 0.00 231 E 8.23 4.07 0.00 2.10 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 2.34 2.47 0.00 232 E 8.18 3.95 0.00 2.30 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 2.43 2.42 0.00 233 L 7.96 3.65 0.00 1.76 1.92 0.64 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 234 Q 8.22 4.14 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 235 C 7.95 4.03 0.00 3.16 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 0.00 236 R 7.99 3.76 0.00 1.89 1.84 0.00 3.01 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.47 0.00 237 V 8.13 3.46 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 1.05 0.00 0.00 0.86 0.00 0.00 238 S 8.09 4.05 0.00 3.87 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 0.00 239 H 8.11 4.02 0.00 3.22 3.39 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 0.00 240 N 7.95 4.29 0.00 2.67 2.80 0.00 0.00 7.09 7.87 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 0.00 241 L 8.21 3.96 0.00 1.81 1.65 0.91 0.74 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 0.00 242 E 8.72 4.15 0.00 2.03 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 2.13 0.00 243 A 7.89 3.92 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 0.00 244 L 7.53 4.05 0.00 1.84 1.71 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 245 E 8.13 4.13 0.00 2.13 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 2.29 2.30 0.00 246 Q 8.25 4.31 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.