NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6944 8.4249 118.1218 53.1674 40.1075 173.0768 3 D 4.4444 8.3012 118.7595 54.9281 41.5515 173.3378 4 L 4.2614 8.8191 120.0223 55.2766 45.7847 174.5338 5 T 4.4418 8.4710 122.8538 61.8502 69.8298 173.8983 6 L 4.4698 8.2307 126.8889 53.1637 43.1273 176.0061 7 S 4.8589 8.3228 116.9244 55.5127 64.8762 172.2360 8 P 4.4965 0.0000 0.0000 62.9467 31.6542 176.0759 9 I 4.1592 8.3759 115.9643 61.6719 39.3598 174.8361 10 A 4.9009 7.4420 123.0225 51.4744 22.7625 174.7164 11 I 4.8706 8.7829 119.5991 59.5360 41.3497 174.7526 12 I 4.6871 8.3304 125.8134 59.6462 40.4323 173.7888 13 H 5.3857 8.9021 127.2873 55.0195 30.0736 174.4397 14 T 4.7207 8.6813 119.1080 61.2736 72.3305 172.5414 15 P 3.4118 0.0000 0.0000 65.4866 31.7268 175.9674 16 Y 4.5717 6.8136 116.8280 57.7556 37.3925 176.5175 17 K 4.1147 8.1948 125.7939 58.1522 32.5948 176.9709 18 E 4.9038 7.8328 114.8164 53.7441 33.1686 176.5092 19 K 3.9796 8.7209 117.7464 59.5867 32.1685 179.5181 20 F 4.5475 8.3176 119.3965 61.1376 39.4074 176.0596 21 S 4.1757 7.8123 115.1707 60.0585 62.9377 174.3576 22 V 2.8269 7.2444 121.2133 60.9583 31.9714 174.0446 23 P 4.2772 0.0000 0.0000 62.3104 31.7973 177.4662 24 R 4.2179 8.2992 119.4910 58.0463 30.6626 177.4408 25 Q 4.5083 7.4742 115.9446 53.1062 28.3369 173.7358 26 P 4.3383 0.0000 0.0000 65.2369 32.0473 178.6989 27 N 4.5024 8.0203 114.2688 55.5859 38.8941 176.4590 28 L 4.0032 7.7079 117.7681 57.4994 41.5125 177.7533 29 V 3.7874 7.1888 122.5490 62.8963 30.0413 175.7711 30 E 4.3608 8.6864 123.5022 57.1166 29.7517 177.2087 31 D 4.6765 8.0378 118.3599 54.7504 43.2304 177.1399 32 G 4.2894 7.7332 109.1700 44.3883 0.0000 172.8772 33 V 5.1148 6.4392 118.2384 61.6360 33.7808 175.6890 34 G 4.3446 8.3371 109.6316 44.6688 0.0000 171.1632 35 I 5.0883 8.3328 120.0163 59.2475 40.8461 174.8066 36 V 4.4988 8.9059 127.2499 61.3230 33.4804 173.8546 37 E 4.8634 9.0508 129.9870 54.3680 31.3036 174.7260 38 L 4.6642 8.0492 127.9213 54.6936 42.3798 177.1343 39 L 4.5577 9.0398 124.2278 52.9765 43.7017 174.8099 40 P 5.2198 0.0000 0.0000 61.8934 31.8265 174.8923 41 P 4.7066 0.0000 0.0000 62.9963 31.8482 175.9143 42 Y 4.5352 7.4503 117.8312 60.1432 38.9198 176.3436 43 N 4.7217 7.9324 119.3700 52.6184 37.5378 174.5587 44 S 5.0417 7.6905 112.6901 56.9438 65.4319 173.5078 45 P 4.3680 0.0000 0.0000 65.4174 31.7853 178.6631 46 E 4.0638 8.2736 117.7737 59.1426 29.5824 178.7289 47 A 4.1979 7.8186 120.2008 54.2379 18.6203 178.2583 48 V 4.3560 7.4674 106.4429 60.5690 32.7689 174.9346 49 R 3.9482 7.7525 120.8502 58.6259 29.9010 176.6556 50 G 3.9898 8.9811 113.8453 45.3040 0.0000 174.3166 51 L 4.1781 8.3549 123.7342 57.8218 42.1640 178.5262 52 E 4.2423 8.1577 114.4604 58.0068 29.7396 178.0109 53 Q 3.9411 8.0016 119.3425 59.1560 28.8580 177.0175 54 F 4.4980 7.4121 114.6072 57.4341 39.8050 175.6952 55 S 4.5879 8.7440 117.1340 59.6272 64.7916 173.3325 56 H 5.3164 8.2934 116.4577 53.8563 32.7627 172.5330 57 L 5.3662 8.8802 119.7558 52.9298 46.6056 175.2723 58 W 5.5042 9.5114 120.3250 55.0765 32.0647 174.8010 59 L 5.2518 9.3140 124.7060 53.1650 43.6696 176.1292 60 I 4.6587 8.8929 126.0913 60.2276 38.6854 174.7785 61 F 5.2391 8.8158 124.2840 54.9945 41.5255 173.6314 62 Q 4.5771 8.2945 120.6694 54.9866 29.3906 175.8538 *86 V 3.9018 8.2589 119.3813 60.7346 33.1194 175.6472 87 G 3.7639 8.1080 109.1275 45.1733 0.0000 174.7575 88 V 3.3869 8.2666 120.3189 66.2024 31.1537 178.6515 89 F 4.5241 7.4266 114.6197 59.7854 38.8808 176.4111 90 A 4.4539 7.7851 118.9599 53.3754 19.0711 176.2844 91 S 4.8138 8.0964 111.2064 56.8276 65.8866 174.6295 92 R 4.5202 8.4556 119.6784 56.1448 30.3645 175.9476 93 A 4.1587 7.4133 121.7667 52.8632 18.8166 178.5116 94 T 4.2113 8.1432 108.7665 63.9587 69.7041 175.7268 95 H 4.5869 7.7669 119.0615 55.4533 26.4874 174.2735 96 R 4.7257 7.7173 121.0409 53.0414 33.9242 174.1711 97 P 4.2907 0.0000 0.0000 65.2335 31.4224 176.4426 98 N 4.8123 7.8055 113.9359 50.7195 40.8445 173.9629 99 P 4.5176 0.0000 0.0000 62.0694 30.5023 177.3253 100 L 4.4307 7.7612 119.0493 54.9871 42.5545 176.5600 101 G 3.5747 7.4728 114.2621 44.2231 0.0000 170.8259 *103 S 4.9030 8.4512 114.2888 58.1585 63.9045 173.8904 104 K 5.0287 8.6396 126.9214 55.1584 33.1833 176.2747 105 V 4.4401 8.0880 117.8420 59.0678 35.5354 174.3472 106 E 4.2504 8.4744 123.2068 55.5982 31.0605 174.8057 107 L 4.6493 8.7565 130.0357 54.3041 42.0785 175.8487 108 R 4.3788 8.5835 126.3469 58.0355 31.7998 177.3232 109 Q 4.3756 7.7005 116.5748 55.2183 32.6251 173.1186 110 V 4.4905 8.6871 127.3601 61.8041 32.3761 174.1729 111 E 4.6809 9.6816 130.8046 54.7899 31.4785 174.1627 112 C 5.4231 8.7507 124.8172 57.9399 30.7496 173.9041 113 I 4.2817 8.9194 118.0929 60.7385 39.8694 174.8154 114 N 3.9669 9.8368 125.3327 54.3474 35.8374 174.7967 115 G 3.9015 8.2090 99.8881 46.1524 0.0000 172.4370 116 N 4.7124 7.9777 117.3714 50.9436 40.7647 173.3982 117 I 4.8522 7.7918 123.7303 59.4503 40.0194 174.3929 118 F 5.1992 9.2630 126.4829 55.6974 42.0464 174.6245 119 L 4.8509 9.0070 125.3108 53.6518 42.6655 175.8704 120 H 4.8794 9.6224 123.5261 55.4034 29.3285 175.7055 121 L 4.7478 8.7787 125.7797 53.0687 43.7624 178.2009 122 G 4.1914 8.8115 108.4500 46.8341 0.0000 176.1750 123 A 4.8997 8.7467 131.5323 51.3395 18.8136 177.1258 124 V 4.3011 8.6438 116.8850 60.4580 33.9024 175.7777 125 D 4.7303 8.2355 115.7907 52.8752 40.6061 175.3475 126 L 4.1581 7.6697 120.0387 53.7853 42.7154 177.0716 127 V 4.0534 7.9928 121.5761 61.0124 32.2726 175.0300 128 D 4.2701 8.7964 121.5436 56.2635 41.2558 177.3072 129 G 3.9963 9.2522 114.3167 45.4885 0.0000 173.7704 130 T 3.9932 7.4326 117.6952 63.2753 69.8292 171.8917 131 P 4.7721 0.0000 0.0000 62.5416 32.8658 175.1482 132 I 4.4711 8.6920 125.7430 60.2147 38.4766 176.5002 133 F 4.8222 9.4344 125.9763 59.2596 40.3781 175.6808 134 D 4.7149 7.8524 115.5901 53.1563 44.7220 174.3179 135 I 5.1203 8.3771 123.8581 59.7087 39.9229 174.8563 136 K 4.7797 9.1228 126.1157 53.8640 36.1662 173.6711 137 P 4.6999 0.0000 0.0000 61.8958 32.4411 175.3746 138 Y 4.3975 8.5792 126.1852 57.2983 39.3294 174.7045 139 I 4.4321 8.2428 128.3627 59.3106 38.8801 176.8640 140 A 4.1346 8.9171 128.9696 55.3854 17.9005 177.7129 141 Y 3.8432 7.5432 115.9656 60.7462 39.2972 176.9465 142 A 4.2877 8.0936 125.9824 54.3733 19.1769 177.8956 143 D 4.6777 7.9269 114.4352 55.0359 42.1711 176.9497 144 S 4.6080 7.7414 113.7294 57.7244 63.2531 174.4689 145 E 4.7885 8.4099 127.1406 54.1678 30.3967 172.8627 146 P 4.2689 0.0000 0.0000 65.5588 31.8796 177.4717 147 N 4.5182 8.1102 111.0430 53.2190 38.3037 174.1837 148 A 3.8987 7.4888 122.5583 52.7298 18.0861 178.2422 149 Q 4.5586 8.3482 121.0241 56.3737 31.0300 177.0269 150 S 4.6406 7.6677 118.1626 58.4005 63.2401 176.1397 151 S 4.1382 8.5542 122.9337 61.9137 63.2049 176.0624 *159 V 3.8274 7.2286 121.1175 61.2515 32.5227 175.7624 160 K 4.0626 8.1556 120.0502 56.4117 32.6700 175.2167 161 M 4.8028 7.8108 125.1067 53.6658 34.4495 175.9671 162 T 4.1546 8.3161 112.3387 61.4653 70.8267 173.2991 163 V 4.3431 8.1425 124.2110 61.0962 33.2168 174.1607 164 E 4.4896 8.4861 128.2329 54.2282 32.7499 174.2380 165 F 5.3767 8.4314 124.1905 55.6940 41.6477 175.6115 166 T 4.1891 8.6541 113.5324 61.2472 70.1141 175.1848 167 E 3.9706 8.9319 122.0296 59.5797 29.5899 178.5179 168 Q 3.9740 8.1297 118.8623 58.9142 29.0411 178.0450 169 A 3.9577 7.8332 121.4224 55.2595 18.6035 179.5198 170 K 3.5225 8.4811 117.4421 59.7387 32.1603 179.5318 171 S 3.9826 8.0208 112.7105 61.3176 62.3415 176.0120 172 A 3.9321 7.9225 123.5026 55.1479 17.9659 179.8082 173 V 3.3890 7.9384 117.0981 65.8251 31.3255 178.1033 174 K 3.7978 7.4700 117.9538 59.4376 32.0714 178.3979 175 K 4.0387 7.7369 118.6184 59.0410 32.4044 178.2243 176 R 4.2780 7.4753 115.3871 56.9325 30.1614 177.7546 177 E 4.1093 7.7210 119.5443 58.3102 29.2843 178.4796 178 E 3.9974 7.8742 117.7283 59.6626 29.8671 178.6532 179 K 4.2509 7.9012 116.4869 58.0645 33.0638 178.5630 180 R 4.3118 7.8808 124.3721 53.2659 29.2968 173.4298 181 P 4.3693 0.0000 0.0000 63.6196 32.3095 176.9567 182 H 4.2814 8.9128 116.6476 56.8123 26.5667 176.8338 183 L 4.2436 7.5573 122.1502 58.0896 41.9429 178.9168 184 S 4.2156 8.1977 113.2465 61.3177 62.4090 175.9777 185 R 4.1790 7.9720 116.6438 58.3091 29.4607 177.6482 186 F 4.8070 8.1003 120.8823 59.7854 40.6076 175.4999 187 I 3.9790 7.4481 120.5691 60.1008 35.2661 175.3250 188 R 4.5114 7.5036 116.9162 55.6042 32.5314 177.0360 189 Q 3.9168 7.6844 118.2306 58.7934 29.2067 178.5058 190 V 2.9992 7.1797 116.5353 65.0380 31.9199 176.9062 191 L 4.0682 7.2200 119.0599 55.6247 41.2866 177.3684 192 E 4.5095 7.6282 116.3994 55.2537 31.0739 176.5910 *206 D 4.5005 8.1572 117.6970 53.1647 42.4373 177.4711 207 R 4.0084 7.6815 120.6755 55.7655 30.9415 174.4703 208 I 4.1472 6.7836 118.7116 59.5393 37.7619 175.2966 209 Y 4.2464 6.6026 126.1263 58.2217 39.6740 174.3284 210 G 4.6640 8.5076 107.5599 44.8836 0.0000 172.1120 211 M 5.0958 8.9929 122.1924 54.0807 34.6386 173.7873 212 S 5.1283 9.0213 122.7060 57.8276 64.7545 173.2715 213 L 4.9178 8.4092 125.1847 53.9263 44.9783 176.1523 214 Y 3.5886 8.4521 122.3742 58.9817 36.6917 171.1610 215 E 3.9695 8.4779 121.7060 59.2259 29.8915 176.9839 216 F 4.8819 7.4436 118.3968 56.9488 38.9831 174.5276 217 N 5.3648 8.4691 118.1310 51.7869 41.3314 173.0925 218 V 4.2588 9.0735 124.4404 62.1888 32.8872 174.5423 219 K 5.2716 8.6191 127.6235 55.0418 33.8261 175.5871 220 W 5.2516 8.8957 122.4521 54.8960 31.4337 173.8198 *224 A 4.7427 8.1204 120.8730 52.3249 19.3373 176.7985 225 G 4.4406 8.6135 109.4111 44.6233 0.0000 171.4270 226 T 5.2675 8.5323 112.8875 59.6869 71.3590 173.5544 227 V 4.1622 8.7049 127.0226 61.3599 32.5653 175.3774 228 N 4.7693 9.7586 126.0359 53.8867 37.7112 174.2310 229 C 4.8323 7.9435 115.7242 57.7662 35.4645 172.7182 230 V 4.4865 8.4538 126.2516 61.7024 32.3106 175.0954 231 E 4.4044 8.3704 128.3721 56.7272 29.4400 174.4603 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 N 8.42 4.69 0.00 2.71 2.86 0.00 0.00 6.97 7.18 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 3 D 8.30 4.44 0.00 2.73 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 4 L 8.82 4.26 0.00 1.48 1.42 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.47 4.44 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 6 L 8.23 4.47 0.00 1.23 1.21 -0.01 0.67 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 7 S 8.32 4.86 0.00 4.11 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 8 P 0.00 4.50 0.00 2.11 1.97 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 9 I 8.38 4.16 1.54 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 1.29 0.95 0.16 0.00 0.00 10 A 7.44 4.90 1.21 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 0.00 0.00 11 I 8.78 4.87 1.84 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 1.10 0.72 0.92 0.00 0.00 12 I 8.33 4.69 1.81 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 1.18 1.30 0.89 0.00 0.00 13 H 8.90 5.39 0.00 3.12 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.68 4.72 4.27 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 1.23 0.00 0.00 15 P 0.00 3.41 0.00 1.30 0.91 0.00 3.01 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 16 Y 6.81 4.57 0.00 3.11 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 17 K 8.19 4.11 0.00 1.86 1.92 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.68 7.81 18 E 7.83 4.90 0.00 2.18 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 0.00 2.38 2.55 0.00 19 K 8.72 3.98 0.00 1.92 1.97 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.49 7.81 20 F 8.32 4.55 0.00 2.91 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.81 4.18 0.00 4.16 4.06 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 22 V 7.24 2.83 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 0.45 0.00 0.00 0.68 0.00 0.00 23 P 0.00 4.28 0.00 2.08 1.89 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 24 R 8.30 4.22 0.00 1.75 1.95 0.00 3.13 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 25 Q 7.47 4.51 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 26 P 0.00 4.34 0.00 2.16 2.30 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 27 N 8.02 4.50 0.00 2.69 2.86 0.00 0.00 6.96 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 28 L 7.71 4.00 0.00 1.62 1.70 0.95 1.12 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 29 V 7.19 3.79 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 1.26 0.00 0.00 1.01 0.00 0.00 30 E 8.69 4.36 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 31 D 8.04 4.68 0.00 2.95 2.39 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 32 G 7.73 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 0.00 0.00 0.00 33 V 6.44 5.11 2.01 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 1.00 0.00 0.00 0.90 0.00 0.00 34 G 8.34 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 0.00 0.00 0.00 0.00 35 I 8.33 5.09 1.94 0.00 0.00 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 0.94 0.73 1.00 0.00 0.00 36 V 8.91 4.50 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 1.01 0.00 0.00 0.93 0.00 0.00 37 E 9.05 4.86 0.00 2.24 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 2.15 1.94 0.00 38 L 8.05 4.66 0.00 1.50 1.61 0.93 1.59 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 39 L 9.04 4.56 0.00 1.71 1.63 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 5.22 0.00 1.98 1.91 0.00 3.71 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 41 P 0.00 4.71 0.00 1.94 1.96 0.00 2.23 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 42 Y 7.45 4.54 0.00 3.07 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 43 N 7.93 4.72 0.00 2.80 3.08 0.00 0.00 5.92 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 7.93 4.68 0.00 1.92 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.74 4.61 0.00 4.04 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 0.00 145 E 8.41 4.79 0.00 2.06 1.80 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 2.30 2.42 0.00 146 P 0.00 4.27 0.00 2.08 2.12 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 147 N 8.11 4.52 0.00 2.70 2.85 0.00 0.00 6.82 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.49 3.90 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 0.00 149 Q 8.35 4.56 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.73 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 150 S 7.67 4.64 0.00 3.80 3.10 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 0.00 151 S 8.55 4.14 0.00 3.98 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 *159 V 7.23 3.83 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 0.77 0.00 0.00 0.92 0.00 0.00 160 K 8.16 4.06 0.00 1.73 1.69 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.38 7.81 161 M 7.81 4.80 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 162 T 8.32 4.15 4.18 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 1.18 0.00 0.00 163 V 8.14 4.34 1.85 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 0.22 0.00 0.00 0.72 0.00 0.00 164 E 8.49 4.49 0.00 1.99 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 165 F 8.43 5.38 0.00 2.90 2.88 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 0.00 0.00 0.00 166 T 8.65 4.19 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 1.37 0.00 0.00 167 E 8.93 3.97 0.00 2.12 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 2.39 2.44 0.00 168 Q 8.13 3.97 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 169 A 7.83 3.96 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 K 8.48 3.52 0.00 1.90 1.83 0.00 1.88 0.00 0.00 1.61 0.00 0.00 3.19 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.78 7.81 171 S 8.02 3.98 0.00 3.90 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 0.00 172 A 7.92 3.93 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 0.00 173 V 7.94 3.39 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 0.74 0.00 0.00 0.70 0.00 0.00 174 K 7.47 3.80 0.00 1.77 2.00 0.00 1.70 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.44 7.81 175 K 7.74 4.04 0.00 1.79 1.93 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 176 R 7.48 4.28 0.00 1.86 1.82 0.00 3.19 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.77 0.00 177 E 7.72 4.11 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 178 E 7.87 4.00 0.00 1.93 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 2.28 2.42 0.00 179 K 7.90 4.25 0.00 1.73 1.81 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.48 7.81 180 R 7.88 4.31 0.00 1.80 1.62 0.00 2.65 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.65 0.00 181 P 0.00 4.37 0.00 2.04 1.96 0.00 3.37 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 182 H 8.91 4.28 0.00 3.52 3.73 0.00 5.82 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.56 4.24 0.00 1.94 1.69 0.74 1.20 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 0.00 184 S 8.20 4.22 0.00 3.99 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 0.00 185 R 7.97 4.18 0.00 2.08 2.14 0.00 3.14 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.10 0.00 186 F 8.10 4.81 0.00 3.33 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 I 7.45 3.98 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.91 0.72 0.00 0.00 188 R 7.50 4.51 0.00 1.71 1.85 0.00 3.31 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.89 0.00 189 Q 7.68 3.92 0.00 1.73 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.90 0.00 0.00 0.00 0.00 0.00 2.17 1.79 0.00 190 V 7.18 3.00 1.58 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 0.06 0.00 0.00 -0.14 0.00 0.00 191 L 7.22 4.07 0.00 1.71 1.60 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 192 E 7.63 4.51 0.00 1.91 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 2.17 2.30 0.00 *206 D 8.16 4.50 0.00 2.60 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 4.01 0.00 1.48 1.72 0.00 3.10 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 208 I 6.78 4.15 1.72 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.39 0.80 0.00 0.00 209 Y 6.60 4.25 0.00 1.43 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 0.00 0.00 0.00 0.00 210 G 8.51 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 M 8.99 5.10 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 212 S 9.02 5.13 0.00 3.93 3.88 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 0.00 0.00 0.00 213 L 8.41 4.92 0.00 1.82 1.82 0.93 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 214 Y 8.45 3.59 0.00 3.04 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 0.00 215 E 8.48 3.97 0.00 1.33 1.80 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 2.10 2.23 0.00 216 F 7.44 4.88 0.00 3.52 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 0.00 217 N 8.47 5.36 0.00 2.95 2.82 0.00 0.00 6.43 7.68 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 0.00 218 V 9.07 4.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.06 0.00 0.00 219 K 8.62 5.27 0.00 1.88 1.75 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.47 7.81 220 W 8.90 5.25 0.00 3.36 3.10 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 *224 A 8.12 4.74 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 0.00 225 G 8.61 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.53 5.27 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 1.27 0.00 0.00 227 V 8.70 4.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.13 0.00 0.00 228 N 9.76 4.77 0.00 2.75 2.80 0.00 0.00 6.76 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 0.00 229 C 7.94 4.83 0.00 2.99 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 0.00 230 V 8.45 4.49 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 0.49 0.00 0.00 0.90 0.00 0.00 231 E 8.37 4.40 0.00 2.17 1.79 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 2.31 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.