NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.7703 8.4293 117.8068 55.9993 30.0971 172.2295 4 T 4.5478 8.1241 112.9863 58.9847 71.6206 172.3649 5 A 3.8816 8.5680 125.2519 55.0700 19.5766 180.7423 6 D 4.4202 8.0606 114.1942 56.6018 41.4812 176.3184 7 N 4.6843 7.7028 114.0878 53.3070 39.3117 174.9574 8 C 4.3583 7.6052 119.8013 58.7987 32.5515 173.7664 9 I 3.7472 8.4041 129.3985 64.7360 36.7484 178.3754 10 F 4.5598 8.1029 118.0814 60.8126 38.7365 177.4036 11 C 4.2678 8.2822 116.0351 62.6755 27.9409 176.1138 12 K 3.9940 8.0808 120.2221 59.4022 31.6466 179.4442 13 I 3.8564 7.7107 121.3611 63.9371 36.7945 178.4455 14 I 3.6879 7.6687 119.4241 64.4077 37.0978 177.3795 15 D 4.5922 8.1888 115.9521 54.3453 41.1748 176.6230 16 G 3.8535 7.7626 106.2784 47.1992 0.0000 174.5551 17 Q 4.3433 8.3931 118.5113 56.2284 29.0409 176.1326 18 I 4.6645 7.1021 118.1106 59.3174 41.2372 174.5858 19 L 4.2586 8.2596 123.5410 54.6508 42.4516 175.7901 20 C 4.6026 7.9139 114.1314 57.1635 32.6297 174.4482 21 S 4.6078 8.2876 117.1311 56.7955 62.3488 172.5665 22 K 4.5714 8.4327 125.4138 56.6063 32.1272 176.0350 23 V 4.3570 8.6351 127.1120 64.2858 33.7572 174.9380 24 Y 4.7294 7.7708 117.8720 56.9497 41.9385 172.6404 25 E 5.0020 7.2881 124.2684 55.3638 32.8110 173.8302 26 D 4.5882 8.7045 124.3572 51.8600 42.4758 175.0986 27 E 3.9380 8.8601 118.3095 59.2300 29.6726 177.7256 28 H 4.8749 8.9568 114.6131 55.6301 30.8812 173.8462 29 V 5.0695 7.6567 118.4294 61.0628 35.5837 173.6996 30 L 5.2877 9.0964 126.2702 53.2502 45.6323 174.8935 31 A 5.2362 9.4644 127.5455 50.2262 22.2938 174.8400 32 F 5.2710 8.0426 115.4089 55.2528 41.8757 173.7441 33 L 4.5021 8.5842 120.3580 54.7789 42.4876 176.6244 34 D 4.5314 8.6885 123.1574 53.4352 41.5916 177.4347 35 I 3.9341 8.4330 120.1666 63.3140 37.9161 177.4115 36 S 4.1200 8.9038 117.7665 60.0453 63.2816 174.4217 37 Q 3.3061 7.9720 117.2954 56.7231 26.3501 174.3934 38 V 3.8141 7.6915 113.2842 64.1034 32.7238 176.8597 39 T 4.9210 7.4519 107.5536 59.1226 71.7490 172.7825 40 K 3.9465 8.4456 123.9328 58.7062 32.0866 176.9234 41 G 4.0283 9.4647 115.7550 44.8001 0.0000 172.2404 42 H 4.3242 8.1163 120.4701 57.3961 30.7443 174.1104 43 T 4.9869 9.0370 121.6328 61.7134 72.7942 172.7843 44 L 4.9009 8.6081 124.5739 52.9013 44.5948 175.4995 45 V 4.8464 8.3778 123.0849 61.0118 34.0447 174.3736 46 I 5.3150 8.7204 120.8940 58.3289 41.1481 173.0078 47 P 4.9761 0.0000 0.0000 62.9284 31.6235 176.6564 48 K 4.2828 9.0498 121.6117 58.8589 32.6385 177.8329 49 V 3.9339 7.7713 119.5514 61.8764 32.3265 174.7900 50 H 4.2810 8.8186 126.6274 55.8877 29.7737 174.4748 51 K 4.6235 8.0136 126.1113 54.3471 35.3174 177.3643 52 Q 4.1536 9.1928 124.4497 58.6138 29.5784 174.8373 53 D 4.7707 7.6330 114.8111 52.6020 42.0836 175.2512 54 I 3.4725 8.9823 119.0140 64.3342 37.8538 178.2589 55 F 4.3925 7.4794 117.8643 59.7632 38.7947 175.8687 56 A 4.4940 7.9191 121.3666 52.1471 19.2670 177.4775 57 L 4.0599 7.4046 116.2612 54.5480 42.3618 177.5480 58 T 4.4467 7.9722 112.4818 59.9860 71.9376 174.2033 59 P 4.1683 0.0000 0.0000 65.7129 31.3371 178.8540 60 E 3.8392 8.0279 116.9517 59.4271 29.4545 179.3728 61 I 3.7368 7.6505 119.2297 64.1577 37.1935 178.1877 62 A 3.8809 8.0271 122.0008 55.2282 18.1615 179.8727 63 S 4.1074 8.1845 112.7700 61.8955 62.8315 176.3837 64 H 4.2688 7.7686 118.8497 58.5843 28.6516 177.5444 65 I 3.9565 7.9211 121.4981 64.6185 37.0809 178.3263 66 F 4.3726 8.4152 121.2122 60.6289 38.9841 177.2554 67 S 4.1741 8.0278 113.5631 60.9637 63.0364 175.9429 68 V 3.9215 7.2284 112.2911 61.1635 31.7342 178.0753 69 V 3.3634 7.2033 119.6202 65.4636 31.2615 176.0860 70 P 4.0519 0.0000 0.0000 65.2236 31.2975 178.7287 71 K 3.8760 7.7007 117.2263 59.6900 32.6247 179.3570 72 I 3.6060 7.4524 120.5960 63.9995 37.0044 178.0015 73 A 3.7151 8.0903 122.0269 55.2622 18.0135 179.4169 74 N 4.0869 8.2485 114.9636 56.2320 38.5207 177.5711 75 A 3.8852 7.8054 121.8384 55.1356 18.5004 179.6774 76 I 3.6805 7.7677 118.3368 64.4949 37.2332 178.6068 77 K 4.0011 8.2706 120.2896 59.5142 31.8000 178.7490 78 A 3.9830 7.9833 120.2617 54.9811 18.3104 179.0588 79 E 3.9149 7.8172 116.2817 58.2362 29.7758 178.2149 80 F 5.0591 7.8794 114.0444 55.8731 41.0045 174.6798 81 N 4.2281 8.3286 117.0511 53.9162 37.6036 171.8670 82 P 4.3734 0.0000 0.0000 62.8545 32.5073 177.0611 83 V 3.8698 8.3109 112.7638 63.5543 32.3668 175.9292 84 G 4.1241 7.4437 105.6604 46.6111 0.0000 171.5675 85 F 5.0159 8.3981 119.2760 57.3084 42.2794 173.5900 86 N 5.2160 8.7914 122.4517 51.4088 42.7015 173.1034 87 L 5.2477 8.4767 120.6664 53.0362 44.5214 175.7274 88 L 4.7595 8.5290 123.9270 53.4874 45.9806 174.3858 89 N 5.0975 8.6502 122.8395 51.9902 42.0779 172.9122 90 N 4.9298 8.6391 122.8603 51.3907 41.0029 173.6598 91 N 4.9633 8.8224 119.8075 53.1344 41.4781 174.6716 92 G 4.2214 9.6427 111.6927 45.6352 0.0000 173.8852 93 E 4.3541 8.9935 119.5121 58.5908 29.7093 179.2125 94 K 4.1181 8.2055 116.8606 58.0725 32.3146 177.1792 95 A 4.5383 8.3018 120.9100 51.8156 19.0412 177.4128 96 G 3.9689 8.0758 105.5399 45.7402 0.0000 174.0243 97 Q 3.9754 7.9333 122.0452 55.7986 29.5462 176.2149 98 T 4.3895 8.1926 113.6053 60.9686 70.9677 173.9218 99 V 4.0739 7.2770 121.3202 60.9680 33.6203 175.9574 100 F 4.4768 8.4536 129.4941 56.6482 38.2827 175.4177 101 H 4.9269 7.5385 118.6330 53.9704 33.0355 172.0922 102 F 4.2208 9.2898 130.1902 59.5363 39.5627 173.9790 103 H 4.8861 7.3864 118.9174 54.5118 31.2963 172.5289 104 L 4.6137 8.4210 120.7571 53.6141 44.0619 175.2077 105 H 4.9095 9.0701 121.4161 55.0057 30.4753 174.1878 106 L 4.7045 9.2473 124.3027 53.3507 43.6031 175.8116 107 I 4.3884 8.1231 126.6615 58.1703 39.0398 173.6870 108 P 4.0488 0.0000 0.0000 62.4592 32.3044 175.8960 109 R 4.6276 8.3824 119.9671 54.8400 32.6284 176.1271 110 Y 4.5042 10.4651 119.6512 56.8389 41.1763 176.9194 111 G 3.8299 7.8711 106.6055 45.1923 0.0000 173.2706 112 E 3.9450 8.5762 119.6876 59.4319 29.5771 177.3261 113 N 4.6218 8.0376 114.2283 53.5702 39.3284 174.5249 114 D 4.4627 7.9556 117.9413 55.8203 41.2367 176.3326 115 G 4.0617 8.7133 112.2144 45.2061 0.0000 173.0302 116 F 4.8606 7.8884 120.6944 56.0306 42.1978 174.0849 117 G 3.6415 7.2123 113.8549 44.1507 0.0000 171.6412 118 A 4.5544 7.8031 122.2160 49.8278 21.4285 176.2173 119 V 4.0121 8.2443 121.7312 61.5334 32.5045 175.4152 120 W 4.7896 8.6536 135.0000 55.7609 32.2423 174.2750 121 K 4.3912 8.0016 125.9034 54.1107 33.1464 176.4228 122 S 4.1591 8.4776 119.0363 58.7338 63.1255 173.3165 123 H 4.9370 8.4941 122.4305 55.4887 29.9134 175.4281 124 Q 4.0314 8.2295 123.5486 59.5169 28.7019 178.2216 125 N 4.7270 8.1738 110.7955 53.8056 37.5351 174.8803 126 E 4.4000 8.2999 117.8570 56.5471 29.9675 175.3267 127 Y 4.8981 7.6530 117.1211 56.4015 42.4020 173.3859 128 T 4.5213 8.4840 114.4686 61.6379 67.8317 176.0518 *130 E 4.2333 9.0833 120.1148 56.1760 31.3600 176.5971 131 N 4.3983 8.1780 115.9085 56.4720 38.5042 177.3948 132 L 4.0102 8.0388 120.2914 57.7553 41.7191 179.3037 133 Q 3.9555 8.0630 119.0134 59.3858 29.0459 178.0525 134 N 4.3979 8.3556 117.4657 56.1917 38.5445 177.5552 135 I 3.6746 7.9873 121.0428 64.3145 37.2641 178.2961 136 A 3.9758 8.1590 121.6424 55.3967 18.1661 179.8796 137 S 4.1170 8.1840 113.6071 61.9407 62.6424 177.0459 138 T 3.8582 7.6616 117.4603 66.6647 68.4285 176.5125 139 I 3.8344 7.7664 121.3020 64.3625 36.7833 178.0992 140 A 3.9907 8.4774 121.8978 55.5636 18.0050 179.1716 141 N 4.4707 8.2807 112.4013 54.9905 38.7976 176.4299 142 S 4.6023 7.8655 113.4511 57.1190 63.0740 173.8766 143 V 3.6830 7.0625 121.4257 63.5117 31.6996 175.8282 144 K 4.1979 8.6011 125.6037 56.5812 32.1572 176.1901 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 3 H 8.43 4.77 0.00 3.16 3.33 0.00 5.61 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 4 T 8.12 4.55 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 1.20 0.00 0.00 5 A 8.57 3.88 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 6 D 8.06 4.42 0.00 2.63 2.71 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 0.00 0.00 0.00 0.00 7 N 7.70 4.68 0.00 2.73 2.85 0.00 0.00 6.95 9.02 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 8 C 7.61 4.36 0.00 3.26 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.40 3.75 1.76 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 1.65 0.52 1.02 0.00 0.00 10 F 8.10 4.56 0.00 2.91 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 11 C 8.28 4.27 0.00 3.20 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 12 K 8.08 3.99 0.00 1.97 1.86 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.77 1.64 7.81 13 I 7.71 3.86 1.84 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.58 0.41 0.00 0.00 14 I 7.67 3.69 2.06 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 1.45 0.54 0.95 0.00 0.00 15 D 8.19 4.59 0.00 2.75 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 16 G 7.76 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 0.00 0.00 0.00 17 Q 8.39 4.34 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 18 I 7.10 4.66 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.20 0.88 0.00 0.00 19 L 8.26 4.26 0.00 1.60 1.55 0.90 0.81 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 20 C 7.91 4.60 0.00 2.51 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.29 4.61 0.00 3.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.43 4.57 0.00 1.78 1.74 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 23 V 8.64 4.36 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 0.87 0.00 0.00 1.01 0.00 0.00 24 Y 7.77 4.73 0.00 3.09 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 25 E 7.29 5.00 0.00 1.87 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.36 0.00 26 D 8.70 4.59 0.00 2.85 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 27 E 8.86 3.94 0.00 1.82 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 2.00 2.23 0.00 28 H 8.96 4.87 0.00 3.16 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.66 5.07 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 1.20 0.00 0.00 1.11 0.00 0.00 30 L 9.10 5.29 0.00 1.82 1.55 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 31 A 9.46 5.24 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 32 F 8.04 5.27 0.00 3.24 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.58 4.50 0.00 1.64 1.67 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.69 4.53 0.00 2.33 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 0.00 0.00 0.00 0.00 35 I 8.43 3.93 1.90 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 1.48 0.75 0.97 0.00 0.00 36 S 8.90 4.12 0.00 4.01 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 37 Q 7.97 3.31 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 38 V 7.69 3.81 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 0.85 0.00 0.00 0.73 0.00 0.00 39 T 7.45 4.92 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 1.36 0.00 0.00 40 K 8.45 3.95 0.00 1.37 1.27 0.00 1.34 0.00 0.00 1.01 0.00 0.00 2.13 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.64 1.08 7.81 41 G 9.46 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.12 4.32 0.00 3.32 3.23 0.00 5.55 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 43 T 9.04 4.99 4.26 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 1.21 0.00 0.00 44 L 8.61 4.90 0.00 0.34 0.96 0.73 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.38 4.85 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 1.05 0.00 0.00 0.88 0.00 0.00 46 I 8.72 5.32 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.76 0.57 0.00 0.00 47 P 0.00 4.98 0.00 2.31 2.20 0.00 4.28 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.16 0.00 48 K 9.05 4.28 0.00 1.72 1.97 0.00 1.90 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.45 7.81 49 V 7.77 3.93 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 0.81 0.00 0.00 0.99 0.00 0.00 50 H 8.82 4.28 0.00 3.24 3.30 0.00 5.92 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.01 4.62 0.00 1.75 1.63 0.00 1.92 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.30 7.81 52 Q 9.19 4.15 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.57 2.71 0.00 53 D 7.63 4.77 0.00 3.19 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 54 I 8.98 3.47 1.92 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.96 -0.06 0.00 0.00 55 F 7.48 4.39 0.00 3.23 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.92 4.49 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 57 L 7.40 4.06 0.00 1.45 1.39 -0.11 0.46 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 58 T 7.97 4.45 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 1.20 0.00 0.00 59 P 0.00 4.17 0.00 2.14 2.10 0.00 3.57 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 2.08 2.15 0.00 60 E 8.03 3.84 0.00 2.01 1.92 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 2.38 2.42 0.00 61 I 7.65 3.74 1.81 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.92 0.89 0.00 0.00 62 A 8.03 3.88 1.22 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 0.00 0.00 63 S 8.18 4.11 0.00 4.03 4.10 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 64 H 7.77 4.27 0.00 3.33 3.43 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.92 3.96 2.14 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.38 1.18 0.00 0.00 66 F 8.42 4.37 0.00 3.19 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 67 S 8.03 4.17 0.00 4.09 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.23 3.92 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.93 0.00 0.00 69 V 7.20 3.36 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 0.69 0.00 0.00 0.79 0.00 0.00 70 P 0.00 4.05 0.00 2.03 1.90 0.00 3.57 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 71 K 7.70 3.88 0.00 1.84 1.93 0.00 1.37 0.00 0.00 1.68 0.00 0.00 2.51 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.36 1.21 7.81 72 I 7.45 3.61 1.73 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 1.29 0.65 0.90 0.00 0.00 73 A 8.09 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.25 4.09 0.00 2.68 2.77 0.00 0.00 6.95 7.21 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 75 A 7.81 3.89 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.77 3.68 2.25 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.90 1.31 0.00 0.00 77 K 8.27 4.00 0.00 1.74 1.86 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.46 7.81 78 A 7.98 3.98 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 79 E 7.82 3.91 0.00 1.16 1.12 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 2.25 2.19 0.00 80 F 7.88 5.06 0.00 3.28 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 81 N 8.33 4.23 0.00 2.87 2.93 0.00 0.00 7.14 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 82 P 0.00 4.37 0.00 2.23 1.31 0.00 3.94 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 83 V 8.31 3.87 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 0.68 0.00 0.00 1.00 0.00 0.00 84 G 7.44 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 0.00 0.00 0.00 85 F 8.40 5.02 0.00 2.94 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 86 N 8.79 5.22 0.00 2.28 2.42 0.00 0.00 6.67 6.28 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 87 L 8.48 5.25 0.00 1.57 1.64 1.11 1.02 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 88 L 8.53 4.76 0.00 1.38 1.18 0.97 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.65 5.10 0.00 2.55 2.57 0.00 0.00 6.89 7.79 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 90 N 8.64 4.93 0.00 2.60 2.81 0.00 0.00 6.85 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.82 4.96 0.00 2.64 2.71 0.00 0.00 7.34 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 92 G 9.64 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 0.00 0.00 0.00 93 E 8.99 4.35 0.00 2.35 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 2.47 2.48 0.00 94 K 8.21 4.12 0.00 1.83 1.95 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.42 7.81 95 A 8.30 4.54 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.08 3.97 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 0.00 0.00 0.00 97 Q 7.93 3.98 0.00 2.06 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.60 0.00 0.00 0.00 0.00 0.00 1.16 1.90 0.00 98 T 8.19 4.39 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 1.27 0.00 0.00 99 V 7.28 4.07 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 -0.35 0.00 0.00 0.66 0.00 0.00 100 F 8.45 4.48 0.00 3.05 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 0.00 101 H 7.54 4.93 0.00 3.17 3.20 0.00 5.77 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 0.00 102 F 9.29 4.22 0.00 3.07 3.02 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 0.00 103 H 7.39 4.89 0.00 3.01 3.24 0.00 5.56 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 0.00 104 L 8.42 4.61 0.00 1.64 1.62 1.28 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 105 H 9.07 4.91 0.00 2.99 3.07 0.00 5.59 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.25 4.70 0.00 1.76 1.83 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.12 4.39 1.35 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.44 0.65 0.00 0.00 108 P 0.00 4.05 0.00 1.67 2.02 0.00 3.50 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 109 R 8.38 4.63 0.00 1.61 1.85 0.00 3.22 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 110 Y 10.47 4.50 0.00 3.07 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 0.00 111 G 7.87 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 0.00 0.00 0.00 112 E 8.58 3.94 0.00 1.97 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 2.32 2.32 0.00 113 N 8.04 4.62 0.00 2.66 2.82 0.00 0.00 6.99 8.47 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 0.00 114 D 7.96 4.46 0.00 2.77 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 0.00 115 G 8.71 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 0.00 0.00 0.00 116 F 7.89 4.86 0.00 2.82 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 0.00 117 G 7.21 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.80 4.55 1.24 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 0.00 0.00 0.00 119 V 8.24 4.01 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 0.83 0.00 0.00 0.93 0.00 0.00 120 W 8.65 4.79 0.00 3.32 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 0.00 121 K 8.00 4.39 0.00 1.63 1.59 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.36 7.81 122 S 8.48 4.16 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 0.00 123 H 8.49 4.94 0.00 3.30 3.40 0.00 5.70 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 0.00 124 Q 8.23 4.03 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 125 N 8.17 4.73 0.00 2.89 2.94 0.00 0.00 5.97 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 0.00 126 E 8.30 4.40 0.00 1.92 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 2.27 2.39 0.00 127 Y 7.65 4.90 0.00 2.91 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 0.00 128 T 8.48 4.52 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 1.22 0.00 0.00 *130 E 9.08 4.23 0.00 2.06 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 2.29 2.35 0.00 131 N 8.18 4.40 0.00 3.18 3.04 0.00 0.00 7.07 6.65 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 0.00 132 L 8.04 4.01 0.00 1.73 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.06 3.96 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 134 N 8.36 4.40 0.00 2.95 2.86 0.00 0.00 7.07 6.97 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 0.00 135 I 7.99 3.67 2.02 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 0.91 0.00 0.00 136 A 8.16 3.98 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 0.00 137 S 8.18 4.12 0.00 3.90 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 0.00 138 T 7.66 3.86 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 1.22 0.00 0.00 139 I 7.77 3.83 2.00 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 1.47 0.82 0.92 0.00 0.00 140 A 8.48 3.99 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 0.00 141 N 8.28 4.47 0.00 2.79 2.89 0.00 0.00 6.95 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 0.00 142 S 7.87 4.60 0.00 3.84 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.06 3.68 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 0.82 0.00 0.00 0.99 0.00 0.00 144 K 8.60 4.20 0.00 1.78 1.69 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.54 7.81 * Residues marked with a * may have inaccurate shift predictions.