NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.4750 8.3644 120.3179 53.3434 39.7896 174.1985 *4 Q 4.3076 8.3299 127.1860 56.5376 31.2139 176.7237 5 H 4.1306 8.2454 116.5154 59.4236 29.7955 177.0291 6 R 3.8834 7.9495 119.9222 59.2533 29.9062 178.3768 7 I 3.7938 7.6100 119.1817 64.5698 37.2410 178.3177 8 R 3.8512 8.2312 119.1976 59.3128 29.8599 178.8392 9 Q 3.9763 7.9776 119.0190 59.2410 29.0146 178.5199 10 L 4.0347 8.1180 119.9322 57.7401 41.6024 179.3998 11 F 3.9428 8.7522 118.0220 60.7951 38.8239 177.8088 12 Q 4.0295 8.8014 117.7944 58.8421 28.4625 178.7076 13 A 4.0962 8.1300 121.9570 55.0041 18.5040 179.5361 14 S 3.9294 8.1770 111.6607 61.6487 62.5131 176.2478 15 I 3.6980 7.9159 122.5653 64.7315 36.8800 178.2840 16 E 4.1675 8.4162 119.2457 59.7193 29.2423 179.6684 17 T 4.0456 7.9793 115.8554 66.6124 68.5220 177.0671 18 K 4.1553 8.0093 120.1154 59.2704 31.7165 179.5964 19 Q 3.9697 8.1478 118.5446 59.1539 28.1329 178.5029 20 Q 4.0029 8.2470 118.8754 59.0793 28.7467 179.0394 21 A 4.1048 8.6820 122.0582 54.9510 18.1784 179.4231 22 L 3.9767 7.8696 118.2176 58.1218 42.2344 178.4437 23 E 4.2822 7.8114 116.3772 57.5826 29.7079 177.5087 24 V 4.4860 7.2514 106.5954 60.4800 34.3343 177.0155 25 L 4.6123 8.1300 119.3701 55.8696 42.1777 176.6804 26 P 4.2756 0.0000 0.0000 65.3640 31.3031 176.5482 27 P 4.1875 0.0000 0.0000 66.0551 30.9828 178.0739 28 Y 4.0598 7.7279 115.9045 60.9419 37.7978 178.0449 29 I 3.7689 8.0688 120.8451 64.3473 37.3089 178.1251 30 E 3.9313 8.5961 120.4153 59.3318 29.4494 178.6403 31 Q 3.9383 8.1353 117.7757 59.0637 28.6260 178.5626 32 A 4.0147 8.1495 120.8903 55.6525 18.4584 179.6649 33 S 4.2548 7.6584 111.0747 61.4397 63.3204 176.3713 34 L 4.1770 7.7824 122.4096 57.3412 41.4696 179.4783 35 V 3.5636 7.7774 114.2507 64.2950 31.1400 177.4035 *37 V 3.9160 7.6623 118.5228 62.7493 33.2324 176.5234 38 N 4.1865 8.5080 117.8621 57.0958 38.5681 176.5349 39 A 3.9946 7.9211 121.1771 55.2724 18.3042 179.6558 40 L 4.0204 7.7880 115.9559 57.7378 42.1730 179.2225 41 L 4.2039 8.1683 119.3397 57.4360 41.2927 178.2005 42 N 4.7641 8.1208 114.6928 53.2808 39.0287 175.2740 43 E 3.7746 7.7630 116.6622 57.2254 28.0331 175.2829 44 G 4.2462 8.0941 107.8378 45.3404 0.0000 172.8481 45 K 5.0168 9.0361 118.2795 55.5732 37.2117 175.0677 46 I 5.0192 8.7423 120.3448 59.5377 40.4120 174.8413 47 L 5.3831 9.0023 127.3967 52.9637 44.2925 175.7942 48 S 5.2628 8.4719 117.3690 57.0356 66.6072 172.4283 49 C 4.2640 7.9452 114.3465 57.1290 32.5359 173.0076 50 G 4.3407 7.2239 107.1607 46.5059 0.0000 172.0146 51 N 5.1435 8.2316 118.8050 51.9442 42.2377 176.4158 52 G 3.8192 8.3583 107.8355 47.0615 0.0000 175.9347 53 G 3.9104 8.8906 112.9348 46.1261 0.0000 174.0275 54 S 4.6669 7.8945 115.4438 58.0223 64.5442 176.1546 55 A 4.2815 7.2369 125.4733 54.5534 18.1650 179.7099 56 G 3.6451 8.1249 103.7493 48.0758 0.0000 175.3136 57 D 4.4252 8.1571 120.4717 57.0502 40.9428 178.4504 58 A 3.9463 7.7795 120.6170 55.4514 18.3250 179.7166 59 Q 3.9946 8.0083 116.2161 59.4551 28.6788 178.5823 60 H 4.2431 8.8628 119.6374 59.1400 29.7096 177.0270 61 F 4.0414 8.3926 122.5034 61.2668 38.8654 176.9403 62 S 4.1396 8.2021 112.3856 61.5816 62.2192 176.3457 63 S 4.2666 8.3854 116.3177 61.0979 62.8857 175.3903 64 E 3.9006 7.9059 123.2899 59.4770 29.1200 178.9437 65 L 3.9107 7.7472 118.4904 57.7281 41.6443 179.7058 66 L 4.0719 8.1768 120.7082 57.6865 42.2592 178.3046 67 N 4.4110 7.6910 114.4930 56.6959 39.3073 176.7174 68 R 3.8154 7.8749 117.5440 55.5489 28.6563 175.5151 *73 R 3.7593 8.2301 117.2187 56.0810 31.2529 173.6786 74 P 4.3191 0.0000 0.0000 62.1009 32.0477 176.5215 75 S 4.4136 8.4566 116.3892 58.3476 62.8923 173.1395 76 L 4.8502 8.7090 127.0383 51.9499 44.7212 174.9592 77 P 4.9656 0.0000 0.0000 62.9766 28.9756 173.0326 78 A 5.2173 7.9868 126.2803 50.8474 22.0397 175.5719 79 V 4.5427 8.9763 121.9469 59.8186 34.9158 174.2389 80 A 4.8534 8.5526 129.3643 50.2557 19.5852 176.8067 81 L 3.9261 8.5672 123.7312 55.0892 41.9851 178.1095 82 T 4.4313 7.6910 119.5152 63.7417 67.0135 172.4718 83 T 3.3063 6.8744 117.2266 58.9973 71.3324 171.7877 *98 N 4.5613 8.2626 119.4695 53.2682 40.1310 175.4751 99 E 4.7320 7.8318 114.5984 55.4661 29.2196 178.0104 100 V 3.4750 7.7739 114.6394 64.9076 31.4555 178.3018 101 F 4.7544 7.6412 116.4634 60.2169 38.5867 177.9952 102 S 4.1913 8.1322 113.4770 61.6431 62.5764 176.5040 103 K 3.9790 8.5176 122.6858 59.2790 31.7484 179.3540 104 Q 4.0562 7.6903 115.7309 58.7193 28.5663 178.5381 105 I 3.6714 7.8925 120.8678 64.5750 36.9946 178.2921 106 R 3.8999 7.6898 117.0595 59.5640 30.0218 178.6617 107 A 4.1314 7.6812 118.7242 54.8081 18.5503 178.8953 108 L 4.4809 8.1872 115.7137 54.8312 43.0550 177.9009 109 G 3.7928 8.2539 108.5590 45.5224 0.0000 172.8603 110 Q 4.6208 9.0883 120.8760 52.6001 32.6037 173.1693 111 P 4.7570 0.0000 0.0000 63.9994 31.7420 174.7877 112 G 4.1701 9.8690 111.7633 45.7148 0.0000 173.6069 113 D 4.7013 7.1279 117.4797 54.3730 42.0705 176.8748 114 V 4.6160 8.6848 119.9835 61.1221 34.5849 173.9786 115 L 4.7972 8.9024 130.2477 53.7101 43.7816 174.8184 116 L 4.7405 9.0769 129.5200 53.8928 43.1841 174.6654 117 A 4.9977 8.7796 129.5465 50.0797 21.4518 174.9487 118 I 4.8359 8.0826 123.3888 59.4659 40.1626 175.3580 119 S 4.6509 9.0820 121.1261 57.4594 65.5886 175.4568 120 T 3.9399 8.8791 117.6675 63.9073 69.0588 175.4111 121 S 4.3778 8.1317 114.9012 57.6375 64.2597 175.1872 122 G 4.0851 8.2344 107.3306 46.6767 0.0000 173.3562 123 N 4.8368 7.6595 114.0970 52.5026 39.6153 175.3684 124 S 4.1983 7.9715 116.1374 58.3228 63.6517 174.4403 125 A 4.0095 8.7053 129.9942 55.2685 18.2539 178.7714 126 N 4.8936 8.0551 115.9727 55.0901 37.5703 177.4978 127 V 3.8154 7.8970 120.5668 65.5348 31.7088 177.5961 128 I 3.6844 7.9456 119.8930 64.8208 37.0703 178.4570 129 Q 4.0897 8.2600 117.9733 58.5150 28.4107 178.7674 130 A 4.0548 8.0281 122.3916 55.0936 18.4161 179.7298 131 I 3.5212 8.0550 118.7632 64.4890 37.2177 178.3597 132 Q 3.9573 8.0640 120.1749 59.2351 28.6433 178.2225 133 A 4.0015 7.7964 120.3283 55.1611 18.5991 179.1507 134 A 4.0736 8.0132 119.2731 55.5163 18.3628 179.6349 135 H 4.2354 8.1736 114.7303 59.2609 28.6373 177.7836 136 D 4.4324 8.0861 119.0949 56.8182 40.6407 178.0890 137 R 4.5421 7.7095 116.8972 54.2491 30.6191 174.0480 138 E 3.7244 8.0904 121.8859 56.4494 27.1771 173.0940 *140 L 4.4153 7.7718 121.7173 54.3589 43.9513 175.7474 141 V 4.7344 8.4213 121.3174 61.1020 34.2922 174.3349 142 V 4.7430 9.0409 127.7438 61.1403 33.7312 173.8623 143 A 5.0336 9.0514 130.8066 50.2159 21.3659 174.9728 144 L 4.7914 8.8047 124.4009 54.0069 43.5199 176.2216 145 T 5.3930 8.3094 114.4506 59.9821 73.0153 171.7097 146 G 4.0211 8.2434 107.3309 46.9492 0.0000 173.5105 147 R 3.4330 7.6053 121.3386 57.9567 29.7223 176.8163 148 D 4.6327 8.8951 125.8288 53.9239 39.4942 177.4491 149 G 3.8444 8.2969 110.0833 44.4968 0.0000 175.2161 150 G 3.9191 7.9100 107.7751 46.2064 0.0000 175.3554 151 G 4.2991 8.2897 105.9664 44.4073 0.0000 175.6875 *153 A 4.3766 8.1797 123.8584 51.8860 20.8083 179.6313 154 S 4.3584 7.5569 108.6597 59.9538 63.3266 175.6297 155 L 4.4352 7.1224 119.4866 55.7000 42.2004 177.2403 156 L 4.2947 7.4781 118.9361 54.7758 42.2497 176.6496 157 L 4.6062 8.8511 122.9161 52.3219 43.2914 175.8632 158 P 4.3245 0.0000 0.0000 66.0350 30.8389 176.9920 159 E 4.2878 7.9770 115.3638 57.0541 30.0364 176.0251 160 D 4.8314 8.2817 119.2213 53.9099 42.3326 175.9385 161 V 4.4186 8.4083 120.2919 61.2090 34.0486 174.0295 162 E 4.7038 8.8525 128.9884 55.4634 31.0724 175.8807 163 I 4.2404 9.1134 127.8314 59.3894 38.7182 172.9559 164 R 4.7752 7.8402 125.9387 53.7980 31.0357 175.4127 165 V 3.8431 8.6130 128.1099 61.1868 32.4214 175.0691 166 P 4.8606 0.0000 0.0000 61.3491 29.6785 175.4838 167 S 4.5662 7.3329 113.9351 58.0958 65.5999 174.5162 168 K 4.3096 8.5129 124.0983 56.7339 33.0382 177.0694 169 I 4.1583 7.4556 121.2741 60.1227 37.9788 175.9915 170 T 3.8387 8.6280 122.5141 67.0492 68.4828 176.1275 171 A 4.2763 7.8441 122.9004 54.6342 18.3896 179.7887 172 R 3.8627 7.8568 116.2500 59.2653 30.2070 179.0538 173 I 3.5570 7.7983 119.6143 64.4136 36.7660 178.3173 174 Q 3.9276 7.9668 118.7165 59.1567 28.4516 178.9127 175 E 3.9831 7.9082 118.8493 59.5875 29.5040 179.7683 176 V 3.6188 7.7884 118.1373 66.1342 31.5773 177.6787 177 H 4.2686 8.8425 116.4905 58.7511 28.4297 177.5394 178 L 3.8666 7.9237 121.9556 57.9764 41.9239 178.3764 179 L 3.9215 7.5885 120.2708 58.4689 41.9568 178.8341 180 A 4.0122 8.4553 120.6783 55.3472 18.2912 179.7122 181 I 3.8093 7.9725 118.2653 64.8387 37.1711 178.3228 182 H 4.3118 8.4759 117.3143 59.0279 28.5103 177.5750 183 C 4.1104 8.4332 118.5894 62.8485 27.9792 175.7764 184 L 4.0191 8.0194 120.4271 58.4033 41.4079 179.5275 185 C 3.9873 8.1128 116.1156 62.8080 27.9955 175.7511 186 D 4.3010 8.0649 119.3993 57.5174 40.9053 178.3529 187 L 4.0266 8.5302 119.7386 57.6811 41.4685 179.6206 188 I 3.6509 8.0005 119.9888 64.5948 37.0863 178.2808 189 D 4.3073 8.0251 119.5280 57.1400 40.6164 178.6797 190 R 3.9045 8.3751 119.7759 59.5556 29.8215 178.5797 191 Q 3.9828 7.8021 116.3721 58.7271 29.0298 178.1003 192 L 3.8613 7.6765 119.0280 56.7610 41.5586 177.8749 193 F 4.8158 7.9308 115.5256 57.7660 41.0397 176.4799 194 G 4.5207 8.8396 104.4590 45.8323 0.0000 173.1998 195 S 4.2966 8.1273 112.4158 58.9515 62.4146 176.0622 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 D 8.36 4.47 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.33 4.31 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 5 H 8.25 4.13 0.00 3.21 3.30 0.00 5.73 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.95 3.88 0.00 1.97 1.92 0.00 3.29 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 7 I 7.61 3.79 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.54 0.89 0.00 0.00 8 R 8.23 3.85 0.00 1.94 1.97 0.00 3.12 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 9 Q 7.98 3.98 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 10 L 8.12 4.03 0.00 2.10 1.77 0.93 0.92 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 11 F 8.75 3.94 0.00 3.28 3.13 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 12 Q 8.80 4.03 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 13 A 8.13 4.10 1.38 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 0.00 0.00 14 S 8.18 3.93 0.00 3.88 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 15 I 7.92 3.70 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.58 0.93 0.00 0.00 16 E 8.42 4.17 0.00 2.19 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 2.34 2.46 0.00 17 T 7.98 4.05 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 18 K 8.01 4.16 0.00 1.97 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.58 7.81 19 Q 8.15 3.97 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 20 Q 8.25 4.00 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 21 A 8.68 4.10 1.38 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 0.00 0.00 22 L 7.87 3.98 0.00 1.79 1.96 0.94 0.87 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 23 E 7.81 4.28 0.00 1.98 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 2.50 2.50 0.00 24 V 7.25 4.49 2.15 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 0.74 0.00 0.00 1.04 0.00 0.00 25 L 8.13 4.61 0.00 1.84 1.77 0.93 0.75 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 26 P 0.00 4.28 0.00 2.16 2.15 0.00 3.66 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 27 P 0.00 4.19 0.00 1.86 2.15 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 28 Y 7.73 4.06 0.00 3.18 3.15 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 29 I 8.07 3.77 2.04 0.00 0.00 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 1.45 1.08 0.95 0.00 0.00 30 E 8.60 3.93 0.00 1.99 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 2.29 2.34 0.00 31 Q 8.14 3.94 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.48 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 32 A 8.15 4.01 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 33 S 7.66 4.25 0.00 4.01 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 34 L 7.78 4.18 0.00 1.89 1.74 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.78 3.56 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 *37 V 7.66 3.92 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.92 0.00 0.00 38 N 8.51 4.19 0.00 3.14 2.92 0.00 0.00 7.11 7.29 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 39 A 7.92 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.79 4.02 0.00 1.60 1.72 0.90 1.03 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 41 L 8.17 4.20 0.00 1.87 1.69 0.88 0.52 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 42 N 8.12 4.76 0.00 2.68 2.83 0.00 0.00 7.06 7.20 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 43 E 7.76 3.77 0.00 2.16 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 2.25 2.24 0.00 44 G 8.09 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 9.04 5.02 0.00 1.99 1.89 0.00 1.27 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.68 1.42 7.81 46 I 8.74 5.02 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.04 1.02 0.00 0.00 47 L 9.00 5.38 0.00 1.52 1.51 0.92 0.60 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 48 S 8.47 5.26 0.00 3.72 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.95 4.26 0.00 1.23 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.22 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 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3.99 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 60 H 8.86 4.24 0.00 3.32 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.39 4.04 0.00 3.25 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 62 S 8.20 4.14 0.00 4.07 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 63 S 8.39 4.27 0.00 4.09 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 64 E 7.91 3.90 0.00 2.01 1.84 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 2.26 2.35 0.00 65 L 7.75 3.91 0.00 1.59 1.62 0.51 0.44 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 66 L 8.18 4.07 0.00 1.88 1.68 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.69 4.41 0.00 2.93 2.84 0.00 0.00 7.24 8.96 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 68 R 7.87 3.82 0.00 1.97 1.99 0.00 3.31 0.00 0.00 3.40 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.87 0.00 *73 R 8.23 3.76 0.00 1.71 1.69 0.00 3.22 0.00 0.00 3.10 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 74 P 0.00 4.32 0.00 2.09 1.95 0.00 2.45 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 75 S 8.46 4.41 0.00 3.86 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 76 L 8.71 4.85 0.00 1.55 1.52 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.97 0.00 2.13 2.24 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 78 A 7.99 5.22 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 79 V 8.98 4.54 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 1.17 0.00 0.00 0.95 0.00 0.00 80 A 8.55 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.57 3.93 0.00 1.40 1.82 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.69 4.43 4.43 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 1.25 0.00 0.00 83 T 6.87 3.31 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 *98 N 8.26 4.56 0.00 2.79 2.82 0.00 0.00 6.68 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 99 E 7.83 4.73 0.00 1.97 1.90 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 2.51 2.21 0.00 100 V 7.77 3.48 1.68 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 0.73 0.00 0.00 0.16 0.00 0.00 101 F 7.64 4.75 0.00 3.10 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 0.00 102 S 8.13 4.19 0.00 4.16 4.20 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 0.00 103 K 8.52 3.98 0.00 1.93 1.92 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.49 7.81 104 Q 7.69 4.06 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 105 I 7.89 3.67 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.93 0.91 0.00 0.00 106 R 7.69 3.90 0.00 1.98 2.03 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 107 A 7.68 4.13 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.19 4.48 0.00 1.59 1.74 0.94 0.88 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 0.00 109 G 8.25 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 0.00 110 Q 9.09 4.62 0.00 2.03 1.95 0.00 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0.21 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 0.00 145 T 8.31 5.39 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 146 G 8.24 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 147 R 7.61 3.43 0.00 1.92 1.37 0.00 3.14 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 148 D 8.90 4.63 0.00 2.74 2.74 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 0.00 0.00 0.00 0.00 149 G 8.30 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 0.00 0.00 0.00 150 G 7.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.29 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 0.00 0.00 0.00 0.00 *153 A 8.18 4.38 1.47 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 0.00 0.00 154 S 7.56 4.36 0.00 3.89 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 0.00 155 L 7.12 4.44 0.00 1.70 1.79 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.48 4.29 0.00 1.71 1.62 0.90 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.85 4.61 0.00 1.67 1.63 0.73 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.32 0.00 2.17 2.23 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 159 E 7.98 4.29 0.00 1.96 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 2.27 2.38 0.00 160 D 8.28 4.83 0.00 2.64 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 V 8.41 4.42 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 1.11 0.00 0.00 0.97 0.00 0.00 162 E 8.85 4.70 0.00 1.94 1.63 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 2.13 2.26 0.00 163 I 9.11 4.24 1.82 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 0.91 0.00 0.00 164 R 7.84 4.78 0.00 1.67 1.69 0.00 2.99 0.00 0.00 3.98 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.39 0.00 165 V 8.61 3.84 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 0.86 0.00 0.00 0.92 0.00 0.00 166 P 0.00 4.86 0.00 2.21 2.07 0.00 3.84 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 1.98 1.95 0.00 167 S 7.33 4.57 0.00 3.81 3.65 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 0.00 168 K 8.51 4.31 0.00 1.76 1.82 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.42 7.81 169 I 7.46 4.16 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.98 0.89 0.00 0.00 170 T 8.63 3.84 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 171 A 7.84 4.28 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 0.00 172 R 7.86 3.86 0.00 1.95 1.95 0.00 3.27 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 173 I 7.80 3.56 1.89 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 1.45 0.88 0.62 0.00 0.00 174 Q 7.97 3.93 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 175 E 7.91 3.98 0.00 2.13 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 2.26 2.38 0.00 176 V 7.79 3.62 2.15 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 1.01 0.00 0.00 0.99 0.00 0.00 177 H 8.84 4.27 0.00 3.35 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.92 3.87 0.00 1.76 1.77 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 179 L 7.59 3.92 0.00 1.75 1.86 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 180 A 8.46 4.01 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 0.00 181 I 7.97 3.81 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.94 1.16 0.00 0.00 182 H 8.48 4.31 0.00 3.38 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 C 8.43 4.11 0.00 3.19 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 0.00 184 L 8.02 4.02 0.00 2.10 1.98 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 185 C 8.11 3.99 0.00 3.13 2.90 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 0.00 186 D 8.06 4.30 0.00 2.95 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 0.00 187 L 8.53 4.03 0.00 1.69 1.70 0.93 0.86 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 0.00 188 I 8.00 3.65 1.83 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 0.83 0.00 0.00 189 D 8.03 4.31 0.00 3.02 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 0.00 190 R 8.38 3.90 0.00 2.04 2.12 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 191 Q 7.80 3.98 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 192 L 7.68 3.86 0.00 0.27 0.64 0.60 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 0.00 193 F 7.93 4.82 0.00 3.15 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 0.00 194 G 8.84 4.52 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 0.00 0.00 0.00 195 S 8.13 4.30 0.00 3.80 3.68 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 * Residues marked with a * may have inaccurate shift predictions.