NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4052 8.3349 115.2922 58.4256 63.3838 173.3945 -1 N 4.6215 8.5108 121.8772 52.3718 40.1649 175.8934 0 A 4.3286 7.2260 121.2114 51.6217 19.2561 177.7323 0 N 4.7486 7.3860 116.1114 52.2217 39.0561 175.1323 3 D 4.4015 7.9910 118.3659 57.1163 40.6438 178.6134 4 I 3.8063 7.3875 119.2653 64.1995 37.5563 178.1546 5 V 3.7330 7.8011 118.3870 66.0900 31.2842 177.8059 6 A 4.0761 7.9950 118.6706 54.8630 18.2897 178.7452 7 S 4.3559 7.8310 110.0017 58.8496 63.7173 174.1471 8 T 4.6719 7.3558 119.7250 62.0768 70.9234 174.1413 9 Q 4.1769 8.8742 125.5472 58.3174 29.2324 176.3036 10 L 4.8955 7.4228 114.4916 51.8277 45.7177 174.4594 11 P 4.7066 0.0000 0.0000 63.3579 32.1325 175.8271 12 N 4.8399 9.1340 121.3246 53.2931 40.0198 174.3722 13 T 4.8561 8.9692 112.4091 59.1084 72.7148 174.8282 14 I 3.6165 8.5551 122.1094 64.6409 36.9920 178.6838 15 K 3.9476 7.9843 118.6635 59.7612 32.0287 179.3695 16 T 3.9082 7.9307 109.9935 64.8544 68.5478 176.6455 17 I 3.6937 8.0164 122.8321 64.2446 37.1208 178.3640 18 T 3.8093 8.0908 116.8822 66.7889 68.3531 176.0736 19 N 4.2866 8.1783 118.7012 56.7601 38.8899 176.5887 20 D 4.3422 8.2063 120.2567 57.3084 40.9376 178.6080 21 L 3.9484 8.1889 119.8018 57.9541 41.6183 179.9156 22 R 4.0567 7.9184 117.7623 59.3179 29.8166 179.3088 23 K 3.9832 7.8568 116.9941 59.3202 32.0480 178.8755 24 L 4.1376 7.5294 119.7163 56.8644 42.0709 176.9061 25 G 3.7693 7.4558 104.8759 44.8137 0.0000 173.8075 26 L 3.9402 7.7448 122.9355 54.7743 42.5689 176.1258 27 K 4.6595 7.9333 123.2270 53.8217 36.2274 175.9204 28 K 4.2047 7.8259 121.1258 57.6809 32.9036 176.8109 29 G 3.6392 8.2426 113.4987 45.7614 0.0000 172.5127 *31 T 4.5438 7.4370 115.1936 63.6797 70.8819 174.5654 32 V 5.0278 9.0166 125.8714 60.1022 35.4149 173.7751 33 I 4.8372 8.8589 124.7341 59.3935 39.9168 174.1488 34 V 4.8454 8.2708 129.0345 61.3437 33.9551 174.2633 35 H 5.1105 9.2466 124.7345 54.0521 31.9457 172.8690 36 S 5.1008 8.5714 115.9542 56.9912 66.4918 173.0930 37 S 4.5217 8.4014 115.4217 56.1683 63.7163 174.1497 38 L 4.0756 8.7536 129.5613 58.2969 41.8951 178.9059 39 S 4.2081 8.0566 113.9181 61.2861 62.9887 176.3670 40 S 4.1790 8.0021 117.3448 61.1388 62.7209 176.5204 41 I 3.9527 7.5961 123.7138 62.3202 36.7406 175.7000 42 G 4.0075 7.5625 104.2747 43.4120 0.0000 172.4056 43 W 4.2489 9.1360 129.3186 57.3809 31.8627 174.9080 44 I 4.6050 7.1487 127.0455 59.1180 39.9095 174.5455 45 S 3.3396 8.4180 123.0014 61.2560 61.8797 173.8689 46 G 3.9824 9.3987 115.5261 44.3301 0.0000 174.8474 47 G 3.5181 7.3055 109.0179 46.2563 0.0000 176.3691 48 A 3.9443 8.5436 124.5948 54.6278 17.9491 179.4582 49 V 3.5673 7.8825 116.2556 66.2907 31.3992 178.0375 50 A 3.8997 7.6378 119.7719 55.0412 18.2011 179.7404 51 V 3.4031 7.5859 116.2566 66.0667 31.4550 178.0058 52 V 3.3484 7.6126 116.7355 66.2499 31.3810 177.5760 53 E 3.9338 8.1533 116.7223 59.1109 29.5883 178.9320 54 A 4.1438 8.2100 121.2761 54.9593 18.3199 180.2474 55 L 3.7746 7.6637 114.0140 55.6044 41.1328 178.7331 *57 E 4.2203 8.0518 121.4503 56.3372 31.0619 177.2619 58 V 3.7809 7.7513 118.0146 65.9531 32.1376 178.1719 59 I 3.6596 8.3444 121.3063 63.0523 37.2927 176.7599 60 T 3.9421 8.1330 111.4157 60.3187 68.9019 172.2001 61 E 3.2540 8.6686 121.4563 58.8023 29.9743 177.6079 62 E 4.0173 8.0198 116.8489 57.8063 30.0709 176.2120 63 G 4.3354 8.0813 107.5171 45.0310 0.0000 172.1520 64 T 5.3162 8.3056 114.8386 62.1508 72.9709 173.0918 65 I 4.9456 9.3106 127.4214 59.8833 40.0326 174.9973 66 I 5.7037 8.8629 127.0379 57.7630 41.4987 172.1701 *68 P 4.1711 0.0000 0.0000 62.4493 32.0403 176.9342 69 T 4.7698 7.9259 112.4011 61.0905 67.8307 174.3945 70 Q 4.3127 7.9114 120.6613 56.3524 30.5985 178.0289 71 S 4.8959 8.3799 115.3253 56.9570 62.9822 175.4346 72 S 4.2382 7.8783 116.6020 61.4411 63.4038 175.9849 73 D 4.4437 7.9599 118.7963 54.0075 39.3563 176.5625 74 L 4.5280 8.3557 120.2715 55.5626 41.8536 176.9816 75 S 4.8580 8.1523 114.6507 56.9577 64.0053 173.2517 76 D 4.4973 8.6697 120.5220 53.5767 41.4099 174.8133 77 P 2.0000 0.0000 0.0000 62.8220 31.5914 178.1400 78 K 2.0000 7.2489 119.0370 59.0438 32.1139 177.3382 79 H 4.6570 6.9062 112.9542 55.2048 29.1226 175.3825 80 W 4.6515 7.5739 121.1213 56.7505 29.5189 176.1882 81 S 4.7821 8.8302 114.4720 57.8583 64.5853 173.5795 82 R 4.9503 7.8433 119.4396 53.7142 29.6938 172.3833 83 P 5.4984 0.0000 0.0000 59.4288 33.9196 174.3721 84 P 4.8783 0.0000 0.0000 62.6751 32.0714 175.7482 85 V 4.3036 8.0958 111.5247 58.4356 34.8669 174.2064 86 P 4.0368 0.0000 0.0000 62.3829 31.9884 177.5495 87 E 2.0000 7.9622 121.1856 58.2975 29.2060 178.4875 88 E 3.9721 7.6546 117.4581 57.8450 30.0218 177.5379 89 W 4.6993 8.0119 117.9013 58.0742 29.5626 178.3941 90 W 4.2563 7.8918 119.8480 59.8490 28.4440 178.2162 91 Q 3.8732 8.0720 119.0714 58.9882 28.1520 177.7156 92 I 3.6336 7.8195 120.5178 64.5166 37.0323 178.2874 93 I 3.7493 7.8342 120.3694 64.4978 36.7794 178.6985 94 R 2.8728 7.3610 117.5143 58.9032 29.7788 178.4564 95 D 4.5743 8.0910 117.1138 55.9902 40.9737 176.8625 96 N 4.9214 7.5616 114.2316 53.2057 41.2244 175.5854 97 V 3.7234 8.0823 117.9710 61.3469 31.5994 174.3859 98 P 4.3635 0.0000 0.0000 62.0243 31.8586 175.9798 99 A 4.3127 8.6232 124.0860 52.2667 19.0673 177.0244 100 F 4.2760 8.9647 123.8315 58.6413 40.2573 174.5270 101 E 4.3844 8.4682 125.1346 53.6307 32.6649 175.0192 102 P 3.8909 0.0000 0.0000 65.8011 31.3590 176.8414 103 H 4.6761 7.7529 112.9190 56.2633 29.2776 175.2849 104 I 4.3239 7.2978 117.8033 62.9139 39.7006 176.2795 105 T 3.9140 7.8810 117.2313 63.0337 68.4506 172.7470 106 P 4.5257 0.0000 0.0000 62.1426 32.2325 176.1835 107 T 4.5113 8.5504 111.6776 61.1213 69.8896 174.1522 108 R 4.3571 7.9972 121.1767 55.5593 33.0667 174.1502 109 A 3.4374 8.5308 128.3262 52.8093 15.2843 176.8645 *111 G 3.7774 7.4351 108.0042 43.5173 0.0000 170.9556 112 K 4.0349 8.3752 120.0714 59.1991 32.0132 179.9565 113 V 3.5840 7.6772 118.2715 65.9354 31.4529 178.1385 114 V 3.7327 7.7119 117.5567 66.1015 31.2627 177.7081 115 E 4.0156 8.0406 117.4593 59.3194 29.3812 178.7528 116 C 4.3094 8.2952 118.8637 62.3817 31.7591 175.2172 117 F 4.0955 8.6671 122.9428 61.4063 38.8191 177.3045 118 R 3.8492 8.3129 114.3503 58.7543 29.2317 177.9317 119 T 4.2032 7.5005 108.9041 62.0413 69.5259 174.7338 120 Y 4.0182 7.4131 120.7222 57.0503 38.5748 173.9204 121 P 4.3008 0.0000 0.0000 64.0300 32.0430 175.8512 122 N 4.2494 8.7768 115.6077 54.1564 36.1679 173.7827 123 V 4.4330 7.4642 118.4518 61.8898 32.6125 175.4020 124 V 4.5368 8.8714 127.8549 61.1107 34.1795 174.0439 125 R 5.3085 8.4487 126.6571 54.3813 32.3864 175.4237 126 S 4.5126 9.3546 121.2477 58.4420 64.4410 174.1764 127 N 4.8500 8.5890 120.0046 52.2422 37.4559 172.5243 128 H 4.3495 7.4641 121.7965 53.8121 32.9985 172.4351 129 P 3.2495 0.0000 0.0000 63.8359 32.1119 176.5261 130 L 4.5821 7.8154 118.2681 54.6449 45.1001 177.8919 131 G 4.2258 7.8235 104.9407 45.4869 0.0000 173.6781 132 S 4.8769 7.9763 114.0971 58.0709 65.2270 173.1314 133 F 5.3334 9.4441 118.0066 55.7818 43.3991 173.8307 134 A 5.4914 8.9381 122.1395 50.3899 22.2375 175.0988 135 A 5.4664 9.3804 121.4488 50.2630 23.3965 175.0344 136 W 5.1412 9.9395 129.5924 57.0957 34.8151 174.0277 137 G 3.1222 8.2602 111.0360 43.7930 0.0000 173.2081 138 R 3.6686 8.0085 118.7756 59.6438 30.1590 179.1260 139 H 4.9128 8.0466 113.0025 55.5995 29.3130 176.7652 140 A 4.0597 7.8019 125.9938 55.2697 18.3077 180.5104 141 E 3.8915 8.0346 116.5987 59.6182 29.5031 178.8074 142 E 3.9456 8.1861 117.3871 59.6361 29.6794 178.5245 143 I 3.9097 7.8507 118.9111 63.5976 37.3079 177.5120 144 T 4.3628 7.5330 108.9506 61.3598 69.7843 175.6403 145 V 3.8205 7.0742 121.1963 62.4045 32.2658 175.2208 146 N 4.1576 8.7085 116.4998 54.2246 35.9407 174.6567 147 Q 4.2300 8.1341 118.5459 56.0393 29.8543 175.7093 148 S 4.4377 8.3745 120.1693 57.6061 64.2664 174.3595 149 L 3.7721 8.3357 123.7258 58.3932 42.0523 178.4760 150 S 5.2056 7.8253 115.2785 56.7910 61.0886 173.4471 *152 S 4.4648 7.9508 117.4105 57.4430 64.9145 175.7074 153 L 4.7440 8.2673 118.9445 54.3027 42.1351 177.2989 154 G 4.2003 7.6323 111.1991 45.4844 0.0000 176.4249 155 E 4.0363 8.8606 120.5399 58.4028 30.4251 177.0593 156 E 4.6909 7.5416 116.9949 55.7262 29.7982 175.0598 157 S 5.0218 7.3359 112.2648 54.9727 66.9495 173.2402 158 P 4.1719 0.0000 0.0000 65.7663 30.7321 178.8621 159 L 3.8212 7.2869 117.4422 57.7688 41.4209 179.5320 160 R 3.9174 7.8074 118.1223 59.2226 29.9975 178.7345 161 K 3.9745 7.9095 118.0156 59.3959 32.0725 179.2437 162 I 3.6985 7.7491 120.2745 64.2647 36.9782 177.6493 163 Y 4.3080 7.9281 121.7903 60.4295 38.4057 178.2412 164 D 4.4629 8.3063 118.2606 56.7400 40.9685 177.7271 165 L 4.2252 7.5271 117.1669 53.5353 42.2800 175.8464 166 D 4.0450 7.8074 117.7350 55.0229 40.1473 173.1830 167 G 4.0205 7.7548 105.2351 46.2026 0.0000 172.6729 168 Y 5.0604 9.3265 116.8535 56.0462 41.7432 175.2661 169 I 4.9411 8.3248 121.0255 59.4901 40.7095 174.2027 170 L 4.9716 9.1454 129.4929 53.3620 44.5098 174.9481 171 L 4.8489 8.7297 127.7063 53.5848 43.4964 176.0204 172 I 4.3171 8.9136 127.0678 59.6974 38.3663 176.1133 173 G 4.1127 8.7191 114.4008 45.9968 0.0000 172.1677 174 V 4.4722 7.4866 110.6021 59.2695 35.8621 175.4115 175 G 4.1718 8.0503 110.2958 44.3066 0.0000 173.8235 176 Y 4.0719 8.5864 115.4996 60.4773 38.0423 177.8139 177 D 4.6071 8.2299 118.1450 55.6020 39.6288 176.9741 178 S 4.4760 7.9561 114.8931 58.8306 63.4447 174.7585 179 N 4.4289 8.2579 122.2851 51.8651 37.1969 174.9057 180 T 3.9876 8.0952 120.0176 66.6442 68.8236 175.2836 181 S 4.0807 8.1968 116.2459 61.7415 62.8021 176.7780 182 V 3.4181 7.5030 119.9902 65.3365 30.9518 177.7771 183 A 4.4335 7.9563 121.0425 55.1127 18.0917 179.2893 184 L 3.9026 7.9325 119.0254 58.3105 42.0689 179.1968 185 S 4.2733 7.9046 116.0217 61.0315 62.5009 176.4238 186 E 3.4427 8.1651 121.0089 59.1892 29.2267 179.3789 187 V 3.6377 7.9866 118.2841 66.3980 31.3935 178.4184 188 R 4.0133 7.8819 115.9990 58.5486 29.9360 178.4203 189 S 4.4668 7.9944 112.6246 57.7977 64.0367 174.0226 190 G 3.7642 7.7824 110.2432 47.1701 0.0000 173.8672 191 A 4.5794 7.5073 117.4189 51.4768 19.4718 176.4543 192 C 4.8138 7.3988 114.2958 58.8002 32.4463 173.6548 193 E 4.1734 8.3152 120.0287 56.1476 29.7292 177.0047 194 L 4.4551 8.0881 121.4371 54.3027 42.9936 176.3138 195 I 4.6824 8.2747 114.9188 58.9172 41.5154 173.8330 196 K 4.7007 8.5037 124.4897 55.5791 33.1112 176.0326 197 V 4.4279 8.5468 120.4116 59.3971 35.4810 174.7491 198 G 4.3212 8.0700 107.8742 44.8499 0.0000 171.3831 199 A 4.2696 7.2831 120.1378 50.8423 23.5252 173.4394 200 P 5.2681 0.0000 0.0000 61.6992 33.4016 174.9033 201 I 5.0166 8.5022 116.7002 59.0251 41.7774 174.3412 202 I 4.7582 8.3353 123.3561 60.0273 37.8269 175.1876 203 E 4.5267 8.6897 128.3158 55.2538 31.9734 175.4463 204 N 4.1871 9.8123 123.3383 54.5860 36.0402 175.3001 205 G 4.0118 9.1506 104.3357 45.4239 0.0000 173.4704 206 E 4.8055 7.8215 116.8626 54.0174 33.6464 174.7399 207 R 4.5463 8.6972 121.6310 56.9739 30.8980 175.7985 208 V 4.4957 8.7764 125.7844 60.6923 35.0211 174.1171 209 W 4.4531 9.1714 135.0000 57.2179 31.0704 174.6488 210 K 4.5163 8.5871 130.0805 54.7957 33.5431 174.9919 211 E 5.1533 8.5407 126.4881 55.2678 31.9701 174.6544 212 F 4.7767 8.1685 115.9300 56.6255 42.0452 172.3765 213 V 4.8346 8.7229 119.0846 60.2970 33.9323 171.8659 214 D 4.6720 8.6590 127.8109 54.1187 44.4147 176.8215 *216 D 4.5327 8.8971 108.4495 53.2668 40.9254 172.6280 217 Y 4.2354 7.6371 117.9094 57.2559 39.0342 175.7490 218 D 4.7042 8.9899 124.0112 52.3094 42.0299 176.6549 219 S 2.7900 8.0389 121.8407 59.4071 63.4982 176.1859 220 D 4.3828 7.9895 121.4587 57.1885 40.9166 178.3852 221 K 4.0941 7.7437 117.1360 58.7463 31.9173 179.3345 222 F 4.2852 8.0149 118.4637 60.4317 38.8355 177.7672 223 V 3.6654 7.4800 117.9738 65.8891 31.4379 177.7908 224 E 3.9071 7.9655 118.6718 59.1153 29.6153 178.4775 225 I 2.9983 7.3025 120.1429 64.0860 37.0395 178.6770 226 G 2.1883 7.9221 106.8054 46.9905 0.0000 175.7619 227 V 3.4690 7.4332 120.6280 66.0062 31.6367 178.0881 228 E 3.9978 7.9284 117.7443 59.3302 28.7362 179.0828 229 F 3.1294 8.2731 121.1160 60.9597 39.1016 177.0928 230 E 4.1078 7.6996 117.4177 59.1677 29.3297 178.9230 231 Q 4.1242 7.5395 116.6933 57.7766 28.8166 177.0773 232 K 4.3811 7.2626 114.7487 55.3082 34.7423 175.8388 233 G 3.2989 8.1925 107.2093 43.5329 0.0000 172.0493 234 T 4.2761 7.8079 115.8110 61.9108 69.2680 174.7181 235 V 4.5411 7.9026 125.6839 61.7157 34.8972 174.9088 236 T 4.2862 8.7914 124.6563 62.4129 71.5411 173.1123 *238 G 3.8646 8.1533 108.2598 46.4902 0.0000 171.6905 239 K 5.0560 8.5178 117.6870 54.4759 35.0598 176.1454 240 I 4.4488 8.3715 124.1730 60.1374 38.9777 176.6515 241 G 3.7728 7.9382 117.8657 47.1656 0.0000 174.8676 242 N 4.5336 9.3651 122.7861 53.4584 39.0102 174.6593 243 A 4.2291 8.0702 122.6591 51.3053 19.8338 176.6671 244 K 4.6263 8.7024 124.8182 56.4203 33.4045 175.4380 245 C 6.0262 8.7941 124.5041 57.2617 31.8183 173.6886 246 R 4.9733 8.3441 118.9153 54.4509 34.0363 174.0078 247 L 5.6024 8.8253 124.2893 52.0930 46.1941 175.4645 *249 K 3.9283 8.3947 122.3007 55.9306 33.3828 176.7283 250 Q 3.9253 8.6939 124.8930 59.4182 28.8768 178.8807 251 R 3.9521 7.7552 118.5100 59.2011 29.9500 178.6125 252 D 4.4014 7.9178 118.1172 57.5725 41.0428 178.5742 253 I 2.8326 7.3724 118.5670 63.5583 37.7968 178.0137 254 V 3.8373 7.9987 120.9282 65.6497 31.4275 177.8475 255 D 4.4127 8.5165 118.8215 57.2617 40.7046 178.4729 256 F 4.2544 8.7094 121.7222 61.3166 39.4032 177.4369 257 G 3.5738 8.7522 105.7391 47.9070 0.0000 175.6777 258 T 4.1239 8.3377 120.6766 67.3433 68.3417 177.0061 259 E 4.0809 7.8415 118.4697 60.8798 29.8803 180.5636 260 W 4.1464 7.8948 129.1568 60.3462 30.5134 178.1402 261 F 4.4038 8.1685 116.5547 60.6368 38.5509 177.3694 262 R 4.0282 7.9170 114.9518 56.4497 29.8678 176.9222 263 K 3.9496 7.7455 124.0030 56.7709 32.6493 175.4182 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 S 8.33 4.41 0.00 3.86 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 -1 N 8.51 4.62 0.00 2.81 2.84 0.00 0.00 6.92 6.46 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 A 7.23 4.33 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 0 N 7.39 4.75 0.00 2.61 2.58 0.00 0.00 6.67 6.58 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 3 D 7.99 4.40 0.00 2.73 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 4 I 7.39 3.81 1.98 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 1.57 0.51 1.08 0.00 0.00 5 V 7.80 3.73 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 0.88 0.00 0.00 0.62 0.00 0.00 6 A 7.99 4.08 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 7 S 7.83 4.36 0.00 4.09 4.16 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 0.00 0.00 0.00 8 T 7.36 4.67 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 1.36 0.00 0.00 9 Q 8.87 4.18 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 10 L 7.42 4.90 0.00 1.59 1.54 0.93 1.02 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 11 P 0.00 4.71 0.00 2.11 2.49 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 12 N 9.13 4.84 0.00 2.71 2.69 0.00 0.00 6.40 6.66 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 13 T 8.97 4.86 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 1.25 0.00 0.00 14 I 8.56 3.62 1.85 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 1.78 0.62 0.88 0.00 0.00 15 K 7.98 3.95 0.00 1.79 1.85 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 16 T 7.93 3.91 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 1.22 0.00 0.00 17 I 8.02 3.69 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.69 0.85 0.00 0.00 18 T 8.09 3.81 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 1.19 0.00 0.00 19 N 8.18 4.29 0.00 2.84 2.93 0.00 0.00 7.30 7.80 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 20 D 8.21 4.34 0.00 2.90 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.19 3.95 0.00 1.82 1.67 0.85 0.81 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 22 R 7.92 4.06 0.00 1.99 1.95 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 23 K 7.86 3.98 0.00 1.86 1.86 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.59 7.81 24 L 7.53 4.14 0.00 1.71 1.90 0.92 1.52 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 N 8.26 4.43 0.00 2.66 2.78 0.00 0.00 7.13 6.77 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 0.00 180 T 8.10 3.99 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 181 S 8.20 4.08 0.00 3.81 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 0.00 182 V 7.50 3.42 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.64 0.00 0.00 183 A 7.96 4.43 1.20 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 0.00 0.00 184 L 7.93 3.90 0.00 1.74 1.80 0.84 0.52 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 0.00 185 S 7.90 4.27 0.00 4.23 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.17 3.44 0.00 2.35 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 2.04 2.76 0.00 187 V 7.99 3.64 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.18 0.00 0.00 188 R 7.88 4.01 0.00 1.82 1.96 0.00 3.04 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 189 S 7.99 4.47 0.00 4.17 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 0.00 190 G 7.78 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 A 7.51 4.58 0.90 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 0.00 0.00 192 C 7.40 4.81 0.00 2.73 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 0.00 193 E 8.32 4.17 0.00 1.88 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 0.00 2.26 2.22 0.00 194 L 8.09 4.46 0.00 1.58 1.53 0.89 0.69 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 0.00 195 I 8.27 4.68 1.79 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 1.08 0.63 0.82 0.00 0.00 196 K 8.50 4.70 0.00 1.75 1.71 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.40 7.81 197 V 8.55 4.43 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 0.60 0.00 0.00 -0.21 0.00 0.00 198 G 8.07 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 0.00 199 A 7.28 4.27 1.20 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 0.00 0.00 200 P 0.00 5.27 0.00 2.28 2.53 0.00 3.68 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 201 I 8.50 5.02 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.86 0.77 0.00 0.00 202 I 8.34 4.76 1.90 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 1.26 0.88 0.93 0.00 0.00 203 E 8.69 4.53 0.00 1.95 1.75 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 2.19 2.23 0.00 204 N 9.81 4.19 0.00 2.92 2.89 0.00 0.00 7.17 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 0.00 205 G 9.15 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 0.00 0.00 0.00 206 E 7.82 4.81 0.00 1.97 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 2.40 2.27 0.00 207 R 8.70 4.55 0.00 1.90 1.95 0.00 3.26 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 208 V 8.78 4.50 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.97 0.00 0.00 209 W 9.17 4.45 0.00 3.75 3.16 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 0.00 0.00 0.00 210 K 8.59 4.52 0.00 1.76 1.61 0.00 1.54 0.00 0.00 1.61 0.00 0.00 3.22 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.26 1.47 7.81 211 E 8.54 5.15 0.00 1.91 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 2.36 2.40 0.00 212 F 8.17 4.78 0.00 3.06 2.99 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 0.00 213 V 8.72 4.83 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.95 0.00 0.00 214 D 8.66 4.67 0.00 2.85 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *216 D 8.90 4.53 0.00 2.56 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 0.00 217 Y 7.64 4.24 0.00 3.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 D 8.99 4.70 0.00 2.76 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 0.00 219 S 8.04 2.79 0.00 3.76 3.63 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 0.00 220 D 7.99 4.38 0.00 2.91 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 0.00 221 K 7.74 4.09 0.00 2.24 2.18 0.00 1.94 0.00 0.00 2.32 0.00 0.00 3.15 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.94 1.72 7.81 222 F 8.01 4.29 0.00 3.22 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 V 7.48 3.67 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 1.04 0.00 0.00 1.05 0.00 0.00 224 E 7.97 3.91 0.00 2.09 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 0.00 2.51 2.48 0.00 225 I 7.30 3.00 1.50 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 -0.36 0.67 0.00 0.00 226 G 7.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 V 7.43 3.47 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 1.01 0.00 0.00 0.92 0.00 0.00 228 E 7.93 4.00 0.00 2.36 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 2.48 2.48 0.00 229 F 8.27 3.13 0.00 2.50 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 0.00 230 E 7.70 4.11 0.00 2.04 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 2.32 2.41 0.00 231 Q 7.54 4.12 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 232 K 7.26 4.38 0.00 1.55 1.78 0.00 2.04 0.00 0.00 1.97 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.46 7.81 233 G 8.19 3.30 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 0.00 234 T 7.81 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 0.00 235 V 7.90 4.54 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 0.97 0.00 0.00 0.99 0.00 0.00 236 T 8.79 4.29 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 1.26 0.00 0.00 *238 G 8.15 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 0.00 239 K 8.52 5.06 0.00 1.70 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.41 7.81 240 I 8.37 4.45 1.84 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 1.20 0.93 0.87 0.00 0.00 241 G 7.94 3.77 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 0.00 0.00 0.00 242 N 9.37 4.53 0.00 2.87 2.88 0.00 0.00 6.93 7.37 0.00 0.00 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 A 8.07 4.23 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 K 8.70 4.63 0.00 1.86 1.69 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.47 7.81 245 C 8.79 6.03 0.00 2.93 2.78 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 0.00 246 R 8.34 4.97 0.00 1.61 1.74 0.00 2.97 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 247 L 8.83 5.60 0.00 1.70 1.48 0.97 0.42 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 *249 K 8.39 3.93 0.00 1.73 1.46 0.00 0.61 0.00 0.00 1.48 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.26 7.81 250 Q 8.69 3.93 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 251 R 7.76 3.95 0.00 1.67 1.67 0.00 2.87 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 252 D 7.92 4.40 0.00 2.97 3.01 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 0.00 253 I 7.37 2.83 1.08 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 1.14 0.58 0.80 0.00 0.00 254 V 8.00 3.84 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 1.31 0.00 0.00 1.01 0.00 0.00 255 D 8.52 4.41 0.00 2.89 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 0.00 256 F 8.71 4.25 0.00 3.36 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 0.00 257 G 8.75 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 0.00 0.00 0.00 258 T 8.34 4.12 4.45 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 1.25 0.00 0.00 259 E 7.84 4.08 0.00 2.10 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 2.26 2.20 0.00 260 W 7.89 4.15 0.00 2.95 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 0.00 261 F 8.17 4.40 0.00 3.51 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 0.00 262 R 7.92 4.03 0.00 1.95 1.97 0.00 3.30 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 263 K 7.75 3.95 0.00 1.79 1.65 0.00 1.30 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.25 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.