NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 V 4.1793 8.1545 117.9180 60.3165 34.2125 176.3972 28 R 4.5767 7.7402 116.2095 52.8480 33.0702 174.9918 29 T 4.5730 8.2615 111.7734 58.5256 72.6965 172.5979 30 W 5.1848 7.4287 117.1660 54.3728 31.1198 174.5801 31 M 4.1612 8.7355 120.3464 55.0534 32.2354 175.8305 32 Q 4.2228 8.8532 127.7248 56.0748 29.9112 176.3081 33 G 3.7912 8.7824 113.8565 45.2856 0.0000 174.0558 34 A 3.9714 8.7345 124.3982 54.5377 18.5080 178.8720 35 G 3.9423 8.0034 101.8400 45.3803 0.0000 172.9337 36 V 4.4229 7.5899 120.6890 61.3500 32.5786 175.5241 37 L 4.7309 9.0947 128.5611 53.5652 43.7479 176.0670 38 D 4.7969 8.6020 120.9265 53.1461 40.7449 176.8725 39 A 4.0386 8.4255 121.8563 55.8636 18.1492 179.9971 40 N 4.3189 8.1595 113.4322 56.9836 39.2806 176.8632 41 T 4.0245 8.2876 117.1206 66.5779 68.7327 176.6982 42 A 3.9761 8.1981 122.4452 54.9922 18.3611 179.4294 43 A 4.3180 7.9895 120.2909 54.3631 18.1380 179.6477 44 Q 4.0109 7.7447 116.3573 58.3951 28.8284 178.0839 45 S 4.6295 7.7639 111.8760 57.9328 63.6789 174.9291 46 G 3.8650 7.7936 111.0497 45.1675 0.0000 173.9275 47 V 3.4067 7.5941 120.6602 62.7858 31.8260 175.0579 48 G 4.0778 7.7504 114.5817 44.7112 0.0000 171.5493 49 L 4.7701 8.8693 119.9681 54.5861 42.1708 176.9639 50 A 4.6861 8.9225 125.5275 53.2899 20.6830 177.2968 51 R 4.9781 7.9942 112.0276 55.0653 34.7868 174.3555 52 A 5.4283 8.8023 123.9046 50.5741 22.2202 175.3087 53 H 4.9457 9.1539 118.7382 54.5192 33.4319 173.1543 54 F 4.6393 8.9571 124.3849 56.6415 37.2350 174.5970 55 E 4.2653 8.9545 124.4078 58.4445 30.4516 176.3288 56 K 4.6397 8.4123 122.4026 54.2127 34.5887 175.1923 57 Q 4.7034 8.9822 129.4469 55.3785 29.7754 173.9692 58 P 5.3686 0.0000 0.0000 61.4628 32.0500 174.1127 59 P 4.5229 0.0000 0.0000 62.6063 32.1355 177.5438 60 S 4.6703 8.6599 115.0514 60.4534 64.3455 173.4667 61 N 5.6182 7.9870 116.8467 51.1167 41.5951 174.0995 62 L 4.2006 9.1358 127.4710 55.0326 42.6197 177.1365 63 R 4.7013 8.3500 127.2201 55.5455 31.0083 176.7319 64 K 4.0656 8.8164 120.8841 60.3887 32.5518 178.5013 65 S 4.2182 7.8988 112.2072 58.5335 62.9396 173.5071 66 N 4.6199 8.3324 123.3753 55.0661 39.4576 174.8434 67 F 5.3515 7.6257 118.1879 57.1963 40.1154 174.9585 68 F 5.3637 9.2317 116.8746 56.3080 41.8913 172.3642 69 H 5.6706 8.9747 113.6701 54.4054 32.2584 171.6169 70 F 5.2854 7.8322 112.0398 56.0564 41.4374 172.8227 71 V 4.9621 9.2382 119.7457 61.2528 34.2705 174.3201 72 L 5.4574 9.4197 127.1379 53.0651 44.8523 175.1908 73 A 5.1847 8.6597 122.2125 49.0961 22.6617 175.0661 74 L 5.1582 7.9604 119.4247 53.1311 45.2853 175.1908 75 Y 5.2559 8.9943 119.7096 56.4302 42.5484 175.7640 76 D 5.7349 8.8905 121.8282 51.9154 41.9327 176.8926 77 R 4.2443 8.6264 116.5209 58.3027 30.2223 177.0782 78 Q 4.3670 8.7363 116.8066 55.1529 28.9559 176.3216 79 G 3.9597 8.0058 105.4337 46.1003 0.0000 174.0576 80 Q 4.4194 8.0254 118.4974 54.0509 29.8394 173.9068 81 P 4.1935 0.0000 0.0000 62.4116 31.9250 175.8030 82 V 4.2456 7.6425 121.3872 60.8554 33.5007 174.8673 83 E 3.9026 8.8842 129.4839 56.0190 30.8878 175.1543 84 I 4.4835 7.9814 127.7826 60.2301 37.6956 175.3078 85 E 4.2712 9.0359 127.2418 57.5123 30.9281 176.7547 86 R 4.5727 7.3190 116.4146 54.7582 34.6680 174.2951 87 T 5.3938 8.1284 110.2373 60.6131 72.5963 173.0558 88 A 4.8319 8.7626 121.8456 50.8153 23.1841 175.7168 89 F 4.1187 9.9630 126.8748 59.2559 39.4668 174.5324 90 V 3.7358 7.7248 126.2671 62.9954 32.6807 175.5975 91 G 3.3711 5.4942 103.9174 46.2984 0.0000 170.8721 92 F 4.8995 8.3081 117.9337 56.3812 40.0831 176.0115 93 V 3.5466 9.3214 125.3982 65.9186 32.5072 176.5908 *106 N 4.6894 7.8048 117.1709 52.7323 38.9364 175.5670 107 G 4.6202 7.8629 107.3402 44.9671 0.0000 171.9057 108 I 5.0219 9.0820 122.2957 59.4879 40.3881 174.0729 109 H 4.8923 9.0971 127.2034 54.9942 31.2990 173.4220 110 Y 5.1749 9.3885 123.4019 56.1023 42.4091 174.3679 111 R 5.0419 9.0353 121.2161 54.6185 33.3040 174.2342 112 L 5.3802 9.2171 125.5543 53.0520 45.7210 175.0069 113 Q 5.0812 8.9128 124.2433 54.7618 30.7540 174.1704 114 L 5.0698 9.1921 126.6571 52.7372 45.3642 175.2023 115 L 5.0823 8.7994 124.4992 53.6811 44.1233 175.5792 116 Y 4.7775 9.3107 124.9712 56.5156 39.6579 177.0334 117 S 4.1860 8.9996 115.5614 61.4847 62.9640 175.0077 118 N 4.5858 8.2297 115.4662 52.7338 37.3612 175.7506 119 G 3.9901 8.2365 108.0718 45.1799 0.0000 173.9821 120 I 3.9983 8.1117 122.0612 61.3471 38.3311 175.2042 121 R 5.4253 8.7338 125.5340 54.8775 33.0524 175.1182 122 T 5.7988 8.8703 111.8124 59.0119 73.3355 172.0061 123 E 5.0479 8.7453 123.2235 55.2560 31.6921 174.3904 124 Q 4.5699 9.7200 128.5894 54.1802 31.9795 174.1495 125 D 5.0162 8.9488 126.6720 54.8225 41.9656 175.8614 126 F 4.9774 8.7155 123.4102 57.3411 43.6029 172.4970 127 Y 5.3932 8.5645 123.0461 56.2090 42.0064 174.4039 128 V 4.9523 8.9920 123.2909 61.2892 34.3691 174.5540 129 R 5.1964 9.4348 126.3377 54.4200 34.3396 174.6010 130 L 5.0669 8.3889 123.3667 53.3263 42.9336 175.3685 131 I 4.3014 8.6222 119.6602 59.5220 39.7685 174.8303 132 D 4.2871 8.7659 124.7068 54.6199 41.3138 175.2724 133 S 4.2810 8.5661 123.6601 59.7463 62.2283 175.1214 *150 M 4.5443 8.0842 117.3029 54.5393 33.3984 180.4542 151 C 4.2243 7.9384 112.3171 58.2500 30.2747 172.7755 152 R 4.3378 8.1226 122.2848 55.1507 31.3946 176.0883 153 V 3.7519 8.3462 125.1804 65.3677 32.7543 174.9634 154 L 5.1805 7.7584 121.2952 53.6902 43.3012 175.0170 155 L 5.4647 9.0208 125.3623 53.1802 46.7035 175.6494 156 T 4.6860 8.6985 109.9045 61.4633 70.2918 174.4466 157 H 4.6424 9.1293 123.8148 56.3022 29.7465 174.9024 158 E 4.4068 8.8790 125.6327 56.2541 30.5641 176.6773 159 I 4.0614 8.7453 124.2237 60.7678 38.6215 175.2986 160 M 4.2784 8.5105 127.4774 54.7814 32.4186 175.8259 161 C 4.3258 8.2448 121.5404 59.6476 28.7716 173.6496 162 S 4.4142 8.3786 120.0431 58.9234 62.3361 174.7165 *175 E 4.3881 8.2364 119.8202 55.3100 31.5083 176.3412 176 T 4.6888 7.3871 115.8940 60.6073 71.0005 172.5861 177 P 4.5023 0.0000 0.0000 62.6635 31.9972 176.1161 178 S 4.5750 8.3863 117.1120 57.7122 64.4213 173.6615 179 D 4.9217 8.4428 121.1116 52.7742 42.0334 174.7250 180 P 4.1269 0.0000 0.0000 62.6635 32.2943 175.8133 181 V 4.2455 8.4757 122.3523 61.2409 33.7659 174.4571 182 I 4.5339 8.2077 128.7979 60.4115 38.3554 175.1014 183 I 4.4110 8.7448 128.0452 59.9182 40.4462 175.7554 184 D 4.1874 9.6400 126.8959 55.5598 38.8247 175.4104 185 R 3.9191 7.9942 122.1849 56.1869 28.5815 178.3889 186 F 4.4965 7.9920 113.6617 56.7832 40.8556 174.6528 187 F 5.2109 7.9224 120.2890 55.4619 41.8215 174.5817 188 L 4.9228 9.0911 124.5790 53.2664 44.9873 174.7191 189 K 4.7921 9.1385 128.9924 54.7465 34.3868 174.7293 190 F 4.6495 8.5313 126.7380 55.7115 41.2379 174.7640 191 F 4.6705 8.7430 123.4612 56.2918 40.3873 174.9669 192 L 5.3741 8.9830 123.5966 52.6196 46.3940 175.3952 193 K 5.1097 9.2226 120.3306 55.1957 35.6226 174.3454 194 C 4.9224 9.3921 128.8315 57.7580 32.3137 173.4411 195 N 4.5229 9.2795 127.2246 52.9763 37.3394 175.3525 196 Q 3.9822 8.7754 125.9470 58.4329 29.2330 178.4424 197 N 4.1786 8.2498 115.7204 56.2871 38.7709 174.6509 198 C 4.7488 7.5681 110.9282 58.0658 30.4368 174.8349 199 L 4.5101 7.8471 123.8483 53.9216 39.8211 176.5373 200 K 4.3740 7.4514 119.0409 53.1369 35.9706 174.9321 *205 P 4.5282 0.0000 0.0000 61.4740 33.0444 177.9081 206 R 4.2133 7.8161 115.0828 57.4713 30.5997 176.0898 207 D 4.4589 7.8209 116.8871 54.1797 41.5216 175.8668 208 M 4.3373 8.2229 122.4099 54.0370 31.8379 175.0252 209 R 4.2156 8.1568 125.8366 55.4892 31.7408 175.8968 210 R 4.7128 7.6643 118.6410 54.5290 33.2495 173.7680 211 F 5.2470 8.9852 118.6980 55.8950 43.7896 173.7854 212 Q 4.7371 8.7277 118.5162 54.0282 32.9027 174.8677 213 V 4.4033 8.3171 123.2066 62.4476 33.0466 174.7098 214 V 4.7697 8.9374 128.6606 61.2461 33.8529 174.4616 215 V 4.9818 8.6449 121.4189 59.6767 34.5201 175.0686 216 S 4.9165 8.6434 118.6433 57.7687 66.7070 174.3860 217 T 4.7347 8.7246 108.2846 61.4859 69.8522 174.2732 218 T 4.6967 7.6041 112.2737 59.3652 71.2574 174.1523 219 V 2.0000 7.9496 124.3315 63.6231 31.0197 175.2885 220 N 4.5202 7.3352 115.3224 51.7547 43.1866 173.2399 221 V 3.6891 8.9331 120.6625 60.9472 26.0225 173.2245 *223 G 3.5785 9.1847 110.0552 45.5591 0.0000 172.0652 224 H 4.8378 8.5697 122.2592 53.9271 31.0456 175.0998 225 V 4.2807 7.9587 114.1622 60.4681 33.2040 176.3000 226 L 4.4849 8.7959 121.0059 56.4918 43.0771 176.9078 227 A 4.7275 7.2369 117.8763 51.4125 22.0817 175.3540 228 V 4.9639 8.5314 120.2096 60.8996 34.2142 175.6440 229 S 3.5814 8.2586 122.8251 57.3636 63.9547 173.4057 230 D 4.5407 8.6441 121.0056 53.9576 41.3684 176.4315 231 N 4.4268 8.6499 117.3442 53.8190 40.0282 173.9706 232 M 5.1039 8.8221 122.8549 52.9960 34.5288 174.7153 233 F 4.7658 9.5122 126.3627 57.0388 40.7376 175.0292 234 V 4.7207 8.6317 122.4311 61.3855 34.0037 175.2684 235 H 4.5384 8.7017 123.0469 56.1052 29.5243 173.2718 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 27 V 8.15 4.18 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 0.90 0.00 0.00 0.93 0.00 0.00 28 R 7.74 4.58 0.00 1.84 1.65 0.00 3.17 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.25 0.00 29 T 8.26 4.57 4.08 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 0.00 0.00 1.09 0.00 0.00 30 W 7.43 5.18 0.00 3.30 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 31 M 8.74 4.16 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 32 Q 8.85 4.22 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 33 G 8.78 3.79 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 0.00 0.00 0.00 34 A 8.73 3.97 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 35 G 8.00 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 36 V 7.59 4.42 2.27 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 0.92 0.00 0.00 0.96 0.00 0.00 37 L 9.09 4.73 0.00 1.61 1.57 0.91 0.84 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 38 D 8.60 4.80 0.00 2.76 2.83 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 39 A 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 40 N 8.16 4.32 0.00 2.76 3.03 0.00 0.00 6.99 7.70 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 41 T 8.29 4.02 4.38 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 1.21 0.00 0.00 42 A 8.20 3.98 1.27 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 0.00 0.00 43 A 7.99 4.32 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.74 4.01 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 45 S 7.76 4.63 0.00 4.02 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 46 G 7.79 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.59 3.41 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 -0.22 0.00 0.00 0.73 0.00 0.00 48 G 7.75 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.87 4.77 0.00 1.83 1.79 1.15 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.92 4.69 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 51 R 7.99 4.98 0.00 1.86 1.91 0.00 3.06 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 52 A 8.80 5.43 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 53 H 9.15 4.95 0.00 3.32 3.40 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.96 4.64 0.00 2.93 3.08 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 0.00 0.00 0.00 55 E 8.95 4.27 0.00 2.28 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 2.19 2.37 0.00 56 K 8.41 4.64 0.00 1.93 1.86 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.43 7.81 57 Q 8.98 4.70 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 58 P 0.00 5.37 0.00 2.16 2.40 0.00 3.22 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.63 0.00 59 P 0.00 4.52 0.00 2.49 2.31 0.00 3.90 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 60 S 8.66 4.67 0.00 4.00 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 61 N 7.99 5.62 0.00 2.64 2.93 0.00 0.00 6.86 7.85 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 62 L 9.14 4.20 0.00 1.59 1.60 1.03 0.83 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 R 8.35 4.70 0.00 1.89 1.81 0.00 3.42 0.00 0.00 3.18 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 64 K 8.82 4.07 0.00 1.74 1.87 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.44 7.81 65 S 7.90 4.22 0.00 3.97 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 66 N 8.33 4.62 0.00 2.11 2.75 0.00 0.00 7.14 8.13 0.00 0.00 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 F 7.63 5.35 0.00 3.14 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 68 F 9.23 5.36 0.00 3.18 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.97 5.67 0.00 2.66 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 7.83 5.29 0.00 3.60 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 9.24 4.96 2.27 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 1.09 0.00 0.00 0.93 0.00 0.00 72 L 9.42 5.46 0.00 1.70 1.58 1.18 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.66 5.18 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 74 L 7.96 5.16 0.00 1.39 1.49 0.70 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.99 5.26 0.00 2.88 2.83 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 76 D 8.89 5.73 0.00 3.19 3.21 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 77 R 8.63 4.24 0.00 1.86 2.05 0.00 3.35 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 78 Q 8.74 4.37 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.24 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 79 G 8.01 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 0.00 0.00 0.00 80 Q 8.03 4.42 0.00 2.53 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.01 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 81 P 0.00 4.19 0.00 1.04 1.14 0.00 3.47 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 1.54 1.88 0.00 82 V 7.64 4.25 1.78 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 -0.11 0.00 0.00 0.65 0.00 0.00 83 E 8.88 3.90 0.00 1.56 1.70 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 2.01 2.01 0.00 84 I 7.98 4.48 1.65 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.36 0.72 0.00 0.00 85 E 9.04 4.27 0.00 1.67 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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*106 N 7.80 4.69 0.00 2.48 2.79 0.00 0.00 6.24 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 0.00 107 G 7.86 4.62 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 0.00 0.00 0.00 108 I 9.08 5.02 2.01 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.06 0.22 0.00 0.00 109 H 9.10 4.89 0.00 3.23 3.06 0.00 5.54 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 9.39 5.17 0.00 3.14 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 9.04 5.04 0.00 1.61 1.48 0.00 2.68 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.54 0.00 112 L 9.22 5.38 0.00 1.58 1.45 0.30 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.91 5.08 0.00 1.92 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.46 0.00 114 L 9.19 5.07 0.00 1.62 1.18 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 123 E 8.75 5.05 0.00 2.26 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 124 Q 9.72 4.57 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 125 D 8.95 5.02 0.00 2.75 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 0.00 126 F 8.72 4.98 0.00 3.17 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 0.00 127 Y 8.56 5.39 0.00 2.88 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 0.00 128 V 8.99 4.95 2.48 0.00 0.00 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 1.01 0.00 0.00 129 R 9.43 5.20 0.00 1.76 1.81 0.00 3.13 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 130 L 8.39 5.07 0.00 1.67 1.52 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.62 4.30 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.58 0.93 0.00 0.00 132 D 8.77 4.29 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.57 4.28 0.00 3.84 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 *150 M 8.08 4.54 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 151 C 7.94 4.22 0.00 3.03 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 R 8.12 4.34 0.00 1.55 1.65 0.00 2.21 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.30 0.00 153 V 8.35 3.75 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 0.53 0.00 0.00 0.89 0.00 0.00 154 L 7.76 5.18 0.00 1.75 1.66 1.26 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 155 L 9.02 5.46 0.00 1.75 1.72 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 156 T 8.70 4.69 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 1.29 0.00 0.00 157 H 9.13 4.64 0.00 3.51 3.38 0.00 5.77 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.88 4.41 0.00 1.98 1.88 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 2.32 2.37 0.00 159 I 8.75 4.06 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.57 0.84 0.00 0.00 160 M 8.51 4.28 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 161 C 8.24 4.33 0.00 3.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 S 8.38 4.41 0.00 3.80 3.82 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 *175 E 8.24 4.39 0.00 2.00 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 2.22 2.41 0.00 176 T 7.39 4.69 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 1.16 0.00 0.00 177 P 0.00 4.50 0.00 0.62 1.02 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.35 0.00 178 S 8.39 4.58 0.00 3.85 3.95 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 0.00 179 D 8.44 4.92 0.00 2.69 2.65 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 0.00 180 P 0.00 4.13 0.00 1.24 0.49 0.00 3.56 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 1.35 0.81 0.00 181 V 8.48 4.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.98 0.00 0.00 182 I 8.21 4.53 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.82 0.00 0.00 183 I 8.74 4.41 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 192 L 8.98 5.37 0.00 0.46 1.51 1.23 0.91 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 0.00 193 K 9.22 5.11 0.00 1.99 1.72 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 0.99 7.81 194 C 9.39 4.92 0.00 2.98 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 0.00 195 N 9.28 4.52 0.00 2.67 2.75 0.00 0.00 6.84 6.94 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 0.00 196 Q 8.78 3.98 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.45 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 197 N 8.25 4.18 0.00 2.63 3.11 0.00 0.00 6.85 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 C 7.57 4.75 0.00 3.09 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 0.00 199 L 7.85 4.51 0.00 1.77 1.75 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 200 K 7.45 4.37 0.00 1.73 1.53 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.03 7.81 *205 P 0.00 4.53 0.00 2.06 2.18 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 206 R 7.82 4.21 0.00 1.74 1.93 0.00 3.27 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 207 D 7.82 4.46 0.00 2.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.22 4.34 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.76 0.00 209 R 8.16 4.22 0.00 1.76 1.64 0.00 3.20 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 210 R 7.66 4.71 0.00 0.93 0.69 0.00 2.35 0.00 0.00 2.53 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.19 0.00 211 F 8.99 5.25 0.00 2.76 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 Q 8.73 4.74 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.21 0.00 213 V 8.32 4.40 1.74 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 0.71 0.00 0.00 0.98 0.00 0.00 214 V 8.94 4.77 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 0.82 0.00 0.00 0.92 0.00 0.00 215 V 8.64 4.98 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 0.66 0.00 0.00 0.98 0.00 0.00 216 S 8.64 4.92 0.00 3.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 T 8.72 4.73 4.39 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 1.37 0.00 0.00 218 T 7.60 4.70 4.17 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 1.24 0.00 0.00 219 V 7.95 2.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.70 0.00 0.00 220 N 7.34 4.52 0.00 2.50 2.62 0.00 0.00 7.16 7.71 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 0.00 221 V 8.93 3.69 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 0.66 0.00 0.00 0.90 0.00 0.00 *223 G 9.18 3.58 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 0.00 0.00 0.00 224 H 8.57 4.84 0.00 3.16 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 V 7.96 4.28 2.25 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 0.72 0.00 0.00 1.00 0.00 0.00 226 L 8.80 4.48 0.00 1.72 1.91 1.16 0.88 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 0.00 227 A 7.24 4.73 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 0.00 228 V 8.53 4.96 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 0.79 0.00 0.00 0.94 0.00 0.00 229 S 8.26 3.58 0.00 3.13 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 0.00 230 D 8.64 4.54 0.00 2.47 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 0.00 231 N 8.65 4.43 0.00 2.62 2.06 0.00 0.00 6.23 7.66 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 0.00 232 M 8.82 5.10 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.22 0.00 233 F 9.51 4.77 0.00 3.24 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 V 8.63 4.72 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 0.92 0.00 0.00 1.09 0.00 0.00 235 H 8.70 4.54 0.00 3.15 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.91 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.