NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1355 8.2649 123.5791 51.9535 20.8140 176.7206 *2 R 4.3105 7.3886 113.1479 56.4718 32.4155 173.7846 3 T 4.7675 8.4731 117.5443 62.1010 70.8631 173.8995 4 I 4.7953 8.3379 127.5127 59.8652 39.3097 174.3236 5 Y 4.8774 9.0971 126.6627 57.3064 39.6458 175.1282 6 V 4.8032 9.1780 124.7927 61.5208 33.7455 174.1767 7 I 4.7136 8.9159 130.6075 59.1853 39.3509 175.6068 8 G 4.0361 9.0410 116.5156 45.8957 0.0000 173.0870 9 I 4.3334 8.6581 118.3805 60.5325 38.6129 177.5024 10 G 3.9145 8.2074 112.9782 45.4345 0.0000 172.4520 11 T 4.7685 8.1760 115.2319 63.1812 71.5104 174.1337 12 G 4.3164 9.6777 116.4364 46.3161 0.0000 172.7594 13 S 4.7389 8.1855 112.3570 55.6711 65.6590 173.0169 14 P 4.4619 0.0000 0.0000 65.1510 31.3223 178.2979 15 E 4.0027 7.8955 115.6160 58.5886 29.5100 177.8459 16 F 4.7277 7.5808 116.3388 58.2096 39.4006 175.9736 17 L 4.1364 7.5803 121.8390 54.9441 42.0889 177.7178 18 T 4.3653 8.2385 113.3463 60.8297 71.4257 175.7499 19 L 3.9317 8.4188 121.9700 58.1828 41.6200 179.6527 20 Q 3.8787 8.0396 118.5408 59.1133 28.9951 178.0123 21 A 3.9166 7.9628 121.7343 55.2165 18.3754 179.7066 22 I 3.5349 7.7989 118.2927 64.4832 37.1550 178.5822 23 S 4.1742 8.2892 114.2886 61.3039 62.0615 176.4479 24 G 2.8934 7.9614 108.3554 47.4803 0.0000 175.6461 25 L 3.9468 7.7114 120.5961 57.6922 41.7503 179.7112 26 R 4.0276 7.9488 116.6529 58.9298 30.0616 177.9791 27 H 4.5333 7.9520 113.7663 55.3961 29.4298 175.4389 28 A 4.4087 7.2394 125.1070 52.2580 18.6948 177.5475 29 Q 4.4195 8.8432 121.3507 57.3080 29.5945 175.9884 30 A 4.7343 7.7157 119.7440 50.4660 23.1802 174.9358 31 I 4.9076 8.2798 119.9221 59.4671 40.9935 174.7603 32 V 4.9488 8.8234 125.9001 61.0028 35.2131 174.0558 33 A 4.9019 8.8219 126.9197 50.3186 22.5538 174.8487 34 L 4.8809 8.7992 122.7729 53.8429 42.5606 175.6824 35 D 5.2023 9.0340 127.4830 53.5994 43.9362 175.2201 *39 Q 3.9800 8.5609 121.4575 57.1242 29.8878 175.9586 40 K 4.1692 7.7239 116.4188 53.5990 33.4083 176.8565 41 S 4.2255 8.2453 121.2523 61.6925 62.9808 176.1053 42 D 4.4868 8.3327 120.9024 57.4868 40.5456 178.8591 43 L 3.9860 7.8386 118.8284 57.7393 41.6968 179.1529 44 L 4.0860 8.0690 118.7613 57.9339 41.5919 179.5690 45 A 4.0439 8.2366 120.5091 55.1683 18.3320 179.6899 46 L 4.0708 8.1969 117.5636 57.9794 41.7493 179.7919 47 R 3.9533 8.6629 118.9171 59.5143 30.0819 178.3430 48 Q 3.9911 8.4255 119.5680 59.0052 29.1394 178.1315 49 K 4.0289 8.3045 120.7960 59.3967 32.1988 178.9023 50 I 3.7578 7.8445 120.1633 64.4601 37.0057 178.6223 51 V 3.5948 7.7429 118.9799 66.1119 31.1344 177.7014 52 D 4.3417 8.4589 117.9767 57.6614 40.6721 178.7561 53 T 3.9918 7.6521 115.0097 66.3593 68.6171 175.8070 54 H 4.6912 7.9979 115.6433 55.7931 30.9323 175.3308 55 A 4.8037 8.0434 122.7683 50.1700 18.8572 174.1099 56 P 4.2538 0.0000 0.0000 64.0882 32.3178 177.1310 57 G 3.8108 8.9826 107.7322 46.1109 0.0000 173.2501 58 T 4.4718 7.3426 114.5458 60.3412 70.4627 172.4077 59 P 4.3897 0.0000 0.0000 62.6953 32.0522 175.6739 60 I 4.2820 8.0852 121.3082 60.6128 38.4129 175.1606 61 Y 4.4214 9.2163 129.9056 56.6076 38.8947 173.1813 62 A 4.8241 8.1013 128.1442 50.4780 20.4928 176.0566 63 V 4.1290 8.8024 124.0574 61.9375 33.0873 175.0414 64 T 5.1104 8.3967 123.5679 61.8967 71.9913 174.8527 65 D 3.9024 8.1871 122.9435 53.5560 43.7691 176.6404 *76 E 4.4223 8.0828 117.7522 56.5397 30.3939 178.6777 77 E 4.0636 8.8447 116.0897 58.9918 29.2832 178.0633 78 E 3.9940 8.1283 118.5180 59.2486 29.5332 179.1767 79 V 3.6682 7.4795 116.8935 66.1448 31.5121 178.3486 80 R 3.8653 7.9171 117.3369 59.0830 29.9551 178.8488 81 R 3.9067 8.2431 118.6685 59.1605 30.0511 178.3144 82 W 4.5699 8.6189 128.5571 61.0592 30.7111 177.5819 83 H 3.7211 8.3907 115.9643 58.6237 28.1007 177.7075 84 A 3.9649 7.8107 122.3254 55.0950 18.2318 179.3342 85 E 3.8863 8.1800 117.8914 59.4175 29.6811 178.8537 86 R 3.3728 8.0173 119.0588 59.1167 29.8832 178.3229 87 A 3.9029 7.8355 120.4551 55.4008 18.3781 179.1069 88 H 4.3216 8.1348 116.7187 59.2154 29.9211 177.1262 89 L 3.9245 8.0494 122.1796 58.2351 41.9341 179.0293 90 L 4.0277 8.2059 118.7781 57.7753 41.6236 179.4303 91 A 3.9901 8.0710 120.6568 55.2802 18.3449 179.8839 92 S 4.0382 8.1503 113.7278 62.0023 62.8841 177.0971 93 T 3.8205 7.9148 118.4015 66.5243 68.1225 176.8128 94 I 3.6119 7.7572 121.6656 64.5773 36.9594 178.8405 95 R 3.9704 7.7758 117.4056 59.1334 29.8820 178.7225 96 E 4.0984 8.1238 117.9162 58.6945 29.6321 178.5183 97 R 4.4099 7.7560 115.1694 55.3831 31.1644 176.3688 98 T 4.6366 7.1506 108.3294 58.7942 71.9070 172.0814 99 P 4.5690 0.0000 0.0000 62.0002 32.3243 176.8137 100 D 4.4019 8.6038 117.7992 55.5282 39.2658 176.7829 101 D 4.7709 8.0509 117.6924 52.9129 39.8008 176.2405 102 G 4.1296 8.1333 109.1268 45.6861 0.0000 172.4705 103 A 5.4141 9.5332 120.8367 49.9691 22.4779 175.8565 104 V 4.8971 8.8549 120.8793 59.7562 34.9483 174.3015 105 A 5.4150 8.9046 124.8733 50.4154 21.7130 175.1771 106 F 5.0953 9.6463 121.8963 56.0376 41.1159 174.9842 107 L 4.9362 8.6783 124.2169 53.5063 43.1123 176.3774 108 V 4.3676 8.4142 122.5386 60.5067 34.8000 174.7172 109 W 4.5511 8.7737 127.9573 56.8600 29.8147 175.8240 110 G 4.3685 9.6830 113.9694 46.4489 0.0000 175.1759 111 D 5.0470 8.4506 123.7420 51.2195 42.9063 174.9402 112 P 4.3776 0.0000 0.0000 65.0819 31.5505 177.8120 113 S 4.1462 8.4993 112.3956 59.3823 63.3320 173.6880 114 L 4.1761 7.4287 123.3712 54.0319 42.9187 175.8582 115 Y 3.9037 8.0314 126.5952 58.6955 35.4596 171.0736 116 D 4.8224 7.5763 116.2902 52.0339 44.9768 175.1156 117 S 4.6072 8.5712 119.0940 58.8579 63.6384 176.2008 118 T 3.7938 8.3421 121.0374 67.0769 68.1901 176.1037 119 L 3.8479 7.7891 120.1148 57.7063 41.6421 179.5851 120 R 3.8616 7.8635 117.4735 59.3412 29.8549 178.9496 121 I 3.6137 7.6903 118.4779 64.4379 37.1588 178.2424 122 I 3.6633 7.5700 119.6717 64.3168 37.2618 178.0748 123 E 4.0993 8.2618 119.5298 59.4696 29.2629 179.2691 124 H 3.9818 8.0767 114.2281 57.3005 29.6080 176.7728 *126 R 4.2341 7.8948 119.8869 56.0026 31.9208 177.6882 127 N 4.2783 7.9334 113.7140 56.1734 38.6801 176.4148 128 L 4.0133 7.8519 119.0197 57.3155 42.2081 177.1536 129 E 4.3624 8.0575 114.6128 55.1115 30.2351 174.8097 130 D 4.1292 7.7275 117.1586 54.8900 39.4984 173.9974 131 L 4.2369 7.6489 120.3014 53.6960 42.1920 175.4321 132 H 4.4030 8.5325 124.4435 55.6966 28.9012 174.7997 133 A 4.8148 8.1670 124.7953 50.7692 22.4426 174.6552 134 D 4.6000 9.0254 121.2732 52.8641 42.6688 175.5175 135 V 4.4139 8.2719 126.8418 62.0399 32.7335 175.0600 136 K 4.5870 9.0622 127.6442 54.6208 35.0665 175.1427 137 V 4.6901 8.5021 125.1859 61.4530 33.2976 174.8783 138 I 4.5051 8.7186 128.7708 58.7932 39.3127 173.6604 139 P 4.8213 0.0000 0.0000 62.8655 32.1438 175.6301 140 G 4.2974 8.6818 108.2529 44.5668 0.0000 172.1057 141 I 4.1485 8.2451 120.8686 61.0543 38.1208 176.7644 142 T 4.4491 8.4411 117.0315 60.5302 70.2234 175.4408 143 A 3.9023 8.5178 124.1022 55.2735 18.2537 180.1602 144 V 3.4793 7.7059 116.2172 66.4484 31.6589 178.2195 145 Q 3.9575 7.9656 117.6546 58.7753 28.4027 178.9258 146 V 3.4473 7.5997 119.4525 65.5340 31.5069 177.7321 147 L 3.9285 8.1306 120.7638 58.5540 41.9844 179.2276 148 T 3.7920 7.9093 109.4134 64.5819 68.8396 176.4776 149 A 3.9681 8.0709 123.6294 55.0354 18.2287 179.5253 150 E 3.9925 8.3629 116.4388 59.6307 29.6294 178.6626 151 H 4.5998 8.2568 114.2622 55.4525 29.3931 175.2538 152 G 3.8999 7.8751 108.6696 46.8379 0.0000 173.3074 153 I 4.4320 7.4619 110.5268 58.2050 40.6061 174.9494 154 L 4.2688 7.8327 120.6770 54.0320 42.3900 177.3520 155 I 3.8705 8.0686 121.1742 62.4200 38.4252 175.3390 156 N 5.0196 7.4706 115.3923 51.3381 40.3327 174.1812 157 R 4.2591 8.7595 119.2492 54.9709 31.2287 176.1898 158 I 3.7376 8.1999 119.9737 63.2158 37.0924 176.9319 159 G 3.8843 8.8267 112.5605 45.7114 0.0000 172.6980 160 E 4.2696 8.0816 120.2801 54.6851 30.5422 176.1193 161 A 4.2279 8.3593 127.6916 52.2000 19.1970 176.7541 162 I 4.5080 8.1367 120.0325 59.8130 39.9389 174.6183 163 H 4.7901 8.9979 128.0314 54.5855 31.5727 173.0228 164 I 4.8712 8.1376 126.8094 60.2408 38.9587 175.0018 165 T 4.7565 8.9375 120.8888 61.7401 71.0823 171.8688 166 T 4.3271 8.2986 111.4413 59.6033 71.1382 174.9625 167 G 3.8135 8.6627 111.1721 48.8693 0.0000 175.8669 168 R 3.8770 8.0492 118.6539 59.3634 30.4638 177.8766 169 N 4.6396 8.2671 115.4866 55.1408 38.5811 177.1523 170 L 4.0723 7.4880 123.4792 57.2266 42.0035 177.2105 171 P 4.3059 0.0000 0.0000 65.2922 31.3808 176.8796 172 E 4.3801 7.8591 114.7279 56.6824 29.7386 176.6280 173 T 4.1889 7.7629 117.9773 62.6877 69.3922 174.6017 174 S 4.3037 8.4766 120.2573 58.3091 64.8073 175.2813 175 A 3.9850 8.5429 125.2774 55.3524 18.3156 179.8068 176 K 4.0477 7.9791 117.5283 59.9099 32.2775 178.7153 177 D 4.4100 8.3401 119.2606 57.1574 40.5156 178.2995 178 R 4.2922 8.0239 116.2808 57.5825 30.2336 178.5076 179 R 4.4009 7.9338 119.0144 58.1911 30.5276 175.2141 180 N 5.3695 7.9532 116.8262 52.9838 41.1493 172.8303 181 C 5.3818 9.4948 119.9450 56.0801 34.0323 172.9652 182 V 4.7617 8.8053 120.4779 61.2396 33.8578 174.6604 183 V 4.8913 8.2006 126.8139 59.5653 35.0510 175.3944 *185 L 4.2397 8.1913 121.8543 54.4510 42.8346 176.7320 186 D 4.6633 8.2711 119.4409 53.0121 40.8379 176.1193 187 G 4.0027 8.6183 115.5707 46.4071 0.0000 173.3283 188 K 4.5930 8.2139 120.8100 56.4604 33.4228 178.8812 189 T 3.3900 7.7372 108.1950 60.1510 68.4198 174.9793 190 A 4.2575 9.1036 127.0755 54.3693 18.3781 179.1477 191 W 4.3669 8.1154 115.4432 60.1251 27.7625 178.3570 192 Q 4.0656 7.5046 118.4998 58.4887 27.6640 177.8932 193 D 4.5555 7.9926 119.3000 55.4961 40.8900 177.8956 194 V 4.3571 7.5733 109.1732 60.5641 33.6376 175.7895 195 A 4.1945 7.7015 122.9051 52.2627 19.0338 176.8930 196 T 4.7021 8.6219 112.0130 59.2849 71.4228 175.0470 197 E 4.0438 8.6611 118.3131 59.2469 29.6137 177.3203 198 H 4.8923 8.2608 115.4559 56.2712 29.5989 174.5958 199 T 4.6135 8.0487 118.5194 63.9575 69.3009 173.4918 200 Y 4.2255 8.8338 129.8054 55.3825 42.3630 173.3164 *202 W 4.6747 8.3111 117.2827 56.5975 30.8149 174.4825 203 W 5.3613 9.5014 134.8866 55.8192 33.9049 174.1783 204 G 4.2664 7.9214 110.4424 44.8311 0.0000 171.6897 205 A 4.3349 7.9846 123.7088 49.7503 23.0100 176.0247 206 F 4.0630 7.9352 116.0518 58.0136 36.9514 175.8251 207 L 4.3016 7.6063 119.0636 56.5064 42.0935 178.0953 208 G 4.3461 9.6879 111.9175 45.5471 0.0000 173.9062 209 T 4.6888 7.3655 108.3713 59.3727 70.3072 175.5584 210 E 4.1144 8.6350 120.6513 58.6150 29.5221 177.9958 211 Q 4.4570 7.7392 116.8980 55.2993 28.9611 175.2358 212 Q 4.4730 7.6890 119.9823 57.0938 29.6518 176.3253 213 V 4.6027 8.8583 124.9695 61.1498 34.8278 173.9621 214 L 5.4664 8.7868 126.7850 53.2514 44.7027 175.9910 215 R 4.9930 9.3231 120.4385 54.7564 34.8090 174.2132 216 K 4.4389 8.4994 119.7144 55.0205 35.7696 175.6195 217 G 3.5450 6.9050 109.2390 43.3684 0.0000 172.3330 218 Y 3.7222 7.2531 117.3989 57.4784 39.3904 177.7162 219 V 3.3987 8.4873 124.1140 66.1192 31.4383 177.9116 220 H 4.0723 8.2262 113.7205 58.9090 28.0092 176.3230 221 E 4.2131 7.8521 120.0113 57.7087 30.2152 177.1955 222 I 4.3245 7.6968 110.8940 60.6165 38.6738 177.6336 223 G 3.8943 8.4671 110.0408 47.4979 0.0000 175.6114 224 A 4.0631 7.9379 123.0387 54.7788 18.3910 179.5290 225 Q 4.0583 7.9322 116.1448 59.2382 28.8199 179.1534 226 V 3.0989 8.0071 119.3337 65.4207 31.3649 177.8999 227 A 4.1489 8.2037 120.8032 55.2056 18.1861 179.5163 228 E 3.8781 8.2185 117.0218 59.3846 29.4779 179.2435 229 L 4.1846 7.9251 121.8646 57.5222 42.0833 178.9409 230 K 4.1186 8.4063 119.9357 59.6631 32.1029 178.8355 231 Q 4.0178 8.0083 117.8911 58.9484 28.1871 178.5034 232 Q 4.0168 8.2206 119.1072 59.2273 28.7393 179.2496 233 L 4.1366 8.3366 120.1145 57.7437 41.6152 179.5953 234 R 4.1163 8.3358 118.8418 59.6969 29.8192 178.7003 235 T 3.8711 7.9081 114.5924 66.5347 68.5427 175.8995 236 E 4.0121 7.9606 119.7116 59.7575 29.8544 178.2268 237 H 4.3794 8.3291 114.2191 56.4104 29.0899 176.6505 238 G 4.1528 9.8465 109.2355 44.8634 0.0000 172.7653 239 W 4.8166 7.2532 113.7290 56.4597 30.5212 173.0934 240 I 3.7725 8.1044 117.0953 60.1365 39.4127 173.0262 *242 D 4.2424 8.3579 117.4659 53.7871 40.4584 174.4704 243 T 5.0115 8.0383 115.7617 62.3330 73.1791 172.6017 244 Y 5.4457 8.4025 121.2000 55.6730 42.2153 173.2437 245 L 5.2998 9.2101 122.5296 53.4206 44.6578 175.3920 246 L 5.2359 9.1501 126.3282 53.1889 44.5666 175.5112 247 R 5.0860 9.0831 122.9627 54.6907 33.9259 173.5504 248 E 4.6173 9.1545 128.2463 55.1654 29.5740 177.0358 249 L 4.7023 8.4388 133.0735 53.2247 39.5593 176.9256 250 D 4.2861 7.7316 121.5388 53.3041 39.6827 177.2395 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 0 A 8.26 4.14 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 *2 R 7.39 4.31 0.00 1.79 1.95 0.00 3.10 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 3 T 8.47 4.77 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 0.40 0.00 0.00 4 I 8.34 4.80 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.80 1.01 0.00 0.00 5 Y 9.10 4.88 0.00 2.94 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 6 V 9.18 4.80 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 0.97 0.00 0.00 0.85 0.00 0.00 7 I 8.92 4.71 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.65 0.87 0.00 0.00 8 G 9.04 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 9 I 8.66 4.33 1.80 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.57 0.79 0.00 0.00 10 G 8.21 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 11 T 8.18 4.77 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 12 G 9.68 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 0.00 0.00 0.00 0.00 13 S 8.19 4.74 0.00 3.89 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.46 0.00 2.24 2.15 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 15 E 7.90 4.00 0.00 1.91 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 1.54 1.47 0.00 16 F 7.58 4.73 0.00 3.17 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.58 4.14 0.00 1.69 1.56 0.86 1.28 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 18 T 8.24 4.37 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 1.23 0.00 0.00 19 L 8.42 3.93 0.00 1.70 1.76 0.92 0.87 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 20 Q 8.04 3.88 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 21 A 7.96 3.92 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 22 I 7.80 3.53 1.93 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 1.02 0.51 0.87 0.00 0.00 23 S 8.29 4.17 0.00 3.85 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 24 G 7.96 2.89 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 25 L 7.71 3.95 0.00 1.73 1.71 0.88 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.95 4.03 0.00 1.71 1.89 0.00 3.16 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 27 H 7.95 4.53 0.00 3.19 3.42 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.24 4.41 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 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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 1.18 0.00 0.00 143 A 8.52 3.90 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 0.00 144 V 7.71 3.48 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 1.02 0.00 0.00 0.92 0.00 0.00 145 Q 7.97 3.96 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 146 V 7.60 3.45 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.26 0.00 0.00 147 L 8.13 3.93 0.00 1.80 1.79 1.07 0.90 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 0.00 148 T 7.91 3.79 4.30 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 1.14 0.00 0.00 149 A 8.07 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.36 3.99 0.00 1.96 2.00 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 0.00 0.00 2.31 2.34 0.00 211 Q 7.74 4.46 0.00 1.68 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 212 Q 7.69 4.47 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 213 V 8.86 4.60 2.30 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 1.25 0.00 0.00 1.12 0.00 0.00 214 L 8.79 5.47 0.00 1.58 1.56 0.84 0.81 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 0.00 215 R 9.32 4.99 0.00 1.67 1.60 0.00 3.20 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 216 K 8.50 4.44 0.00 1.27 1.73 0.00 1.93 0.00 0.00 2.06 0.00 0.00 2.87 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.38 1.44 7.81 217 G 6.90 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 0.00 218 Y 7.25 3.72 0.00 2.57 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 V 8.49 3.40 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 1.29 0.00 0.00 0.87 0.00 0.00 220 H 8.23 4.07 0.00 3.25 3.44 0.00 5.59 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 0.00 221 E 7.85 4.21 0.00 2.02 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 0.00 2.20 2.34 0.00 222 I 7.70 4.32 1.62 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.73 0.00 0.00 223 G 8.47 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 0.00 224 A 7.94 4.06 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 0.00 225 Q 7.93 4.06 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 226 V 8.01 3.10 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 -0.83 0.00 0.00 0.36 0.00 0.00 227 A 8.20 4.15 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 0.00 228 E 8.22 3.88 0.00 2.15 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 2.30 2.43 0.00 229 L 7.93 4.18 0.00 1.70 1.58 0.96 0.39 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 0.00 230 K 8.41 4.12 0.00 2.08 2.06 0.00 2.34 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.59 1.77 7.81 231 Q 8.01 4.02 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 232 Q 8.22 4.02 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 233 L 8.34 4.14 0.00 1.98 2.02 1.22 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 234 R 8.34 4.12 0.00 2.05 2.10 0.00 3.16 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 235 T 7.91 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 0.00 236 E 7.96 4.01 0.00 2.03 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 0.00 2.11 2.26 0.00 237 H 8.33 4.38 0.00 3.11 2.76 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 G 9.85 4.15 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 0.00 0.00 0.00 239 W 7.25 4.82 0.00 3.57 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 I 8.10 3.77 1.84 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 1.20 -0.31 0.98 0.00 0.00 *242 D 8.36 4.24 0.00 2.26 2.38 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 0.00 243 T 8.04 5.01 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 244 Y 8.40 5.45 0.00 3.26 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 0.00 245 L 9.21 5.30 0.00 1.71 1.85 0.84 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 246 L 9.15 5.24 0.00 1.78 1.70 1.21 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 247 R 9.08 5.09 0.00 2.19 2.05 0.00 3.37 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 248 E 9.15 4.62 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 249 L 8.44 4.70 0.00 1.87 1.72 0.47 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 250 D 7.73 4.29 0.00 2.59 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 * Residues marked with a * may have inaccurate shift predictions.