NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4212 8.3144 120.0789 56.2328 33.8032 174.6457 3 L 4.3071 8.6839 127.1919 51.9885 44.2038 173.4682 4 Q 4.2599 8.6891 128.7062 55.9885 30.3006 174.8165 5 V 3.9810 8.1991 127.4798 61.7296 32.1737 174.9974 6 L 4.8000 8.1119 127.7252 51.9020 45.1462 174.2966 7 P 4.7071 0.0000 0.0000 62.7265 31.8544 176.3045 8 L 4.0580 8.3577 126.8378 54.9266 42.8141 176.2420 9 S 4.5551 7.9015 118.2143 55.6724 66.0816 174.7155 10 Q 3.9761 8.7592 122.7399 59.4623 28.4940 178.5721 11 E 3.9374 8.1182 117.8694 59.5819 29.7141 178.8664 12 A 4.2892 7.7356 118.3229 54.1535 18.8255 178.4988 13 F 4.6799 8.0665 118.7121 59.1761 38.2431 177.6123 14 S 4.1910 8.5406 113.1155 60.9103 62.5822 176.1993 15 A 3.6587 7.6938 120.7561 53.1933 18.7058 177.0186 16 Y 4.4705 8.1673 113.3865 57.0809 40.4137 176.0033 17 G 3.6184 5.5541 104.4230 45.8264 0.0000 170.5051 18 D 5.2247 8.0074 119.5257 52.5572 44.2071 175.6351 19 V 4.4668 8.9739 122.8402 61.5581 32.9150 175.2691 20 I 4.3415 8.5195 130.4378 60.8005 38.0151 174.7333 21 E 4.9273 8.3117 123.8719 56.4153 31.7266 175.1983 22 T 3.9505 8.0147 108.0489 61.5963 70.4948 173.9944 23 Q 4.0348 8.0382 122.8005 57.7035 28.9338 175.6619 24 Q 3.6047 8.7733 122.7830 56.8892 26.5966 173.4325 25 R 4.6911 7.8452 115.5275 54.3557 31.9584 176.3959 26 D 4.4811 8.4172 121.1269 54.5954 41.4462 175.5256 27 F 4.7619 7.4488 116.0137 55.5412 41.3248 173.1063 28 F 5.0470 8.6806 118.0009 56.0845 41.4601 174.8529 29 H 4.8307 9.0079 120.5598 55.9018 28.7907 173.9526 30 I 4.1681 9.0534 123.0937 62.5943 39.4340 176.1611 *35 V 3.9162 7.3822 118.8632 62.7156 32.9663 173.3876 36 E 4.9970 8.7875 126.3515 54.7021 31.6033 175.6375 37 R 4.3305 8.9772 127.1627 55.2247 31.0794 175.2722 38 Y 4.7632 8.7204 126.0159 57.0051 36.8060 175.4096 39 H 4.5348 8.3875 119.8349 55.3892 30.3541 175.1747 40 D 4.3947 8.5938 118.1911 55.6287 38.0952 174.6740 41 L 4.1821 7.7218 117.4055 56.9663 42.7120 177.8538 42 A 4.6598 7.5600 118.5991 50.8518 21.7760 175.0170 43 L 4.4889 8.2371 123.4921 53.2068 42.9728 176.0137 44 V 4.1032 8.2733 126.9586 62.0716 32.6480 174.9526 45 E 4.6191 9.1184 127.1095 54.7714 33.0722 174.8117 46 I 4.5360 8.4500 125.5147 59.7162 39.9882 174.8788 47 L 4.6205 8.5669 132.9532 54.8522 43.7371 175.6288 48 E 3.9916 9.0212 114.2706 58.6943 27.9489 174.8843 49 Q 3.3151 8.0998 110.4948 56.5601 26.7194 174.0234 50 D 4.8187 7.5571 115.0915 53.1176 42.8701 176.6829 51 C 4.3517 8.2319 118.2989 59.8358 29.1320 173.1020 52 T 4.5272 8.2362 118.5478 62.3570 69.3292 173.9981 53 L 4.8251 8.8868 127.2606 52.8747 44.9665 175.6875 54 I 5.0181 8.2710 122.8973 59.9115 39.1600 174.9662 55 S 4.8005 9.1405 120.5919 57.0533 67.3854 172.4648 56 I 5.0717 8.2636 119.2215 59.7407 40.3443 174.8804 57 N 4.9193 9.3365 124.9558 51.5928 40.7469 174.0355 58 R 5.0025 8.8029 125.3798 55.2518 30.8763 174.9173 59 A 4.9118 8.9349 129.4662 50.2005 21.5642 175.9144 60 Q 4.6483 8.6643 120.8940 54.8997 30.3451 173.9086 61 P 4.7764 0.0000 0.0000 62.9322 32.3060 175.3570 62 A 4.8134 8.8947 124.4818 50.6431 20.5644 176.2788 63 N 4.7685 8.4153 117.8189 50.6357 39.5275 175.1249 64 L 4.1751 8.0305 120.5697 54.1460 42.4361 175.2044 65 P 4.6666 0.0000 0.0000 62.3214 32.7683 175.1209 66 L 4.7756 8.3910 119.4815 53.5159 44.0496 175.3161 67 T 5.2093 8.3591 116.9199 60.2986 70.6926 172.6466 68 I 4.7564 8.4961 120.3281 59.3370 41.5503 175.3231 69 H 5.1830 8.2318 115.7795 55.3215 30.8671 171.8710 70 E 5.0918 7.8304 114.5860 56.0733 32.0583 174.2166 71 L 5.1725 9.1921 120.2417 53.1110 46.5504 175.3037 72 E 5.5835 9.4671 119.2658 54.8929 33.2654 174.7835 73 R 4.4975 8.5426 115.4432 55.1785 33.4644 173.9497 74 H 4.9416 8.4213 118.2354 53.6023 29.4330 173.2775 75 P 4.5796 0.0000 0.0000 64.2281 31.5311 177.9132 76 L 4.6906 7.4734 116.4947 53.7910 42.0843 175.5085 77 G 4.8827 7.5069 103.4270 45.6339 0.0000 173.7321 78 T 4.6187 8.5042 111.6915 60.9711 71.0995 173.9408 79 Q 4.5261 8.6794 122.6887 54.7326 32.5857 173.0529 80 A 5.0958 8.5949 128.1798 50.1157 22.3651 175.0340 81 F 5.3603 9.1162 119.2640 55.8717 43.2557 174.0441 82 I 4.8767 9.0207 124.5501 58.8080 40.3169 174.7965 83 P 4.2098 0.0000 0.0000 61.7798 31.2799 176.7780 *85 K 3.9932 8.4519 116.2342 56.8865 33.2823 176.1045 86 G 4.3137 8.3927 103.7927 45.8981 0.0000 174.4794 87 E 4.3139 7.8039 118.4323 55.9054 30.8874 176.0720 88 V 4.4048 8.4417 122.3639 62.2731 33.0521 174.7424 89 F 5.1828 8.9774 121.0444 55.7338 42.0543 172.8111 90 V 4.6962 8.3015 118.3973 61.1646 33.7123 174.9469 91 V 4.7427 8.8336 119.8536 59.5714 36.0937 174.6531 92 V 4.9192 8.5322 122.2552 61.4011 34.6441 174.6405 93 V 5.3186 8.8035 119.6833 60.0767 36.3994 174.2378 94 A 4.9750 9.0106 122.0943 51.5005 23.1560 176.4891 95 L 4.9292 8.7900 121.1878 52.6356 45.3126 174.7467 96 G 5.0315 9.0944 108.7025 46.3955 0.0000 173.8048 97 D 4.5684 9.1232 125.9179 56.9095 41.0094 177.0835 98 D 5.0388 7.7172 115.0265 53.7697 42.9253 175.5006 99 K 4.0714 7.6015 116.4021 55.0903 34.5751 172.5402 100 P 4.2032 0.0000 0.0000 62.8787 31.4733 176.3582 101 D 4.5845 8.9841 124.2881 52.5529 40.2201 176.2198 102 L 3.9707 8.4768 127.8178 57.6858 41.8246 179.9878 103 S 4.3024 8.0100 112.0813 60.1742 63.0373 174.7791 104 T 4.5314 8.1695 110.1477 61.0322 69.3183 174.2974 105 L 4.2895 7.5894 125.7290 55.5189 42.5644 176.0010 106 R 4.6324 8.7196 123.5379 54.5289 35.2959 173.7465 107 A 4.9523 7.7429 121.2213 50.2273 22.5658 175.1125 108 F 5.3599 9.2591 119.1795 55.6498 44.0059 173.5745 109 I 4.7179 8.4842 122.0557 59.2308 40.5450 175.4926 110 T 4.4142 8.1353 120.3343 61.2373 69.9511 174.0331 111 N 4.6186 8.9519 117.1525 52.4614 37.8478 176.0057 112 G 4.1181 8.3738 108.7065 44.7720 0.0000 174.3560 113 E 4.5831 8.7666 117.7458 55.9357 30.5976 175.7501 114 Q 4.9109 8.1888 117.4360 54.1262 32.6794 174.4557 115 G 4.5260 9.1040 108.4186 44.6649 0.0000 171.7042 116 V 5.0119 8.8625 111.6287 59.4777 36.5780 174.8946 117 N 5.1172 8.9273 120.7115 52.0342 41.8645 172.9401 118 Y 4.7188 8.9463 125.6977 57.9053 39.1513 175.6250 119 H 4.7015 9.0519 121.6683 55.3113 30.2112 175.4721 120 R 4.1540 8.4537 116.2989 57.1099 29.8015 176.3534 121 N 3.9500 9.0907 117.1567 53.9551 38.4082 173.3223 122 V 4.2331 7.2058 116.8688 62.2393 32.6868 175.7568 123 W 4.7813 8.9626 128.1860 57.1615 30.4454 174.9846 124 H 5.8375 9.1317 118.2017 55.4126 31.8791 171.6470 125 H 4.9791 8.7183 118.8117 54.1448 30.9660 173.0352 126 P 4.3015 0.0000 0.0000 62.4610 31.8169 176.0333 127 L 3.7087 8.2341 123.0270 55.6997 42.3977 176.1271 128 F 5.0695 7.7266 117.9644 55.9931 40.6888 173.1848 129 A 4.9460 8.7739 122.7657 50.6348 22.0815 175.5573 130 W 5.0753 8.4397 127.9968 56.8290 33.0431 176.8003 131 Q 3.3342 8.8132 123.7885 56.7195 27.2299 173.3703 132 R 4.5041 7.6006 110.9114 54.7013 32.5619 175.0162 133 V 3.9047 8.6046 121.1946 64.1149 32.0650 175.2230 134 T 4.5159 8.7853 123.8277 61.7443 72.2948 172.5407 135 D 5.0383 8.3242 125.2314 53.0797 42.9027 175.1522 136 F 4.8192 9.1086 123.6032 55.3420 41.2921 175.0439 137 L 4.5033 9.1798 127.7597 55.4312 43.0829 175.6105 138 T 5.0235 9.3702 123.2822 61.7894 71.9941 173.2798 139 I 4.9268 8.0994 126.1459 60.2605 40.5386 174.0186 140 D 4.8145 8.2306 127.1474 53.0727 42.9119 175.0224 141 R 5.2072 7.9972 115.4650 54.8689 31.0430 175.4308 142 G 4.2397 8.1693 111.0219 45.4931 0.0000 171.8272 *145 D 4.2954 8.5471 124.1731 54.4707 42.2390 175.6306 146 N 5.0597 8.6642 126.4456 52.5584 38.4423 173.4422 147 C 5.0663 7.5375 112.2600 56.3249 33.6539 175.0420 148 D 4.7724 8.6441 120.2783 53.8232 42.1339 175.6031 149 V 5.0252 8.4640 122.0318 61.1613 34.1046 174.2026 150 E 4.8248 9.3273 128.3816 54.4084 32.9854 174.7282 151 S 5.0478 8.6783 121.0608 57.8554 64.7295 172.8698 152 I 4.7136 8.4561 114.2098 58.2573 40.8929 173.1010 153 P 4.3652 0.0000 0.0000 62.3875 31.8987 176.1024 154 E 4.1363 8.8221 123.5185 57.4337 30.1702 175.9526 155 Q 4.6592 9.2586 125.5651 54.1389 32.0609 174.4178 156 E 4.5088 8.5476 123.0503 54.4917 31.2414 175.2294 157 L 4.4814 8.4573 126.0834 54.8069 42.5497 176.6578 158 C 4.8916 8.8480 121.3818 58.2285 30.3962 174.8135 159 F 4.3586 9.2529 121.2445 57.8554 39.9912 176.1979 160 A 4.2814 7.8934 122.8801 52.5856 19.2783 177.1766 161 L 4.0625 8.5052 119.3253 55.2270 41.2517 174.7048 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 K 8.31 4.42 0.00 1.61 1.78 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.49 7.81 3 L 8.68 4.31 0.00 1.64 1.41 0.79 0.20 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 4 Q 8.69 4.26 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 5 V 8.20 3.98 1.39 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 0.52 0.00 0.00 0.11 0.00 0.00 6 L 8.11 4.80 0.00 1.58 1.56 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.71 0.00 1.94 1.97 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 8 L 8.36 4.06 0.00 1.38 1.41 -0.21 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.90 4.56 0.00 3.95 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 10 Q 8.76 3.98 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 11 E 8.12 3.94 0.00 1.99 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 2.33 2.39 0.00 12 A 7.74 4.29 1.41 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 0.00 0.00 0.00 13 F 8.07 4.68 0.00 2.79 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 14 S 8.54 4.19 0.00 4.02 4.33 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.69 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.17 4.47 0.00 2.02 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 17 G 5.55 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.01 5.22 0.00 2.62 2.73 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 19 V 8.97 4.47 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 0.71 0.00 0.00 0.71 0.00 0.00 20 I 8.52 4.34 1.87 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 1.28 0.57 0.90 0.00 0.00 21 E 8.31 4.93 0.00 1.82 1.81 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 2.07 2.18 0.00 22 T 8.01 3.95 2.87 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 0.00 0.00 0.58 0.00 0.00 23 Q 8.04 4.03 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 24 Q 8.77 3.60 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 25 R 7.85 4.69 0.00 2.14 1.96 0.00 3.34 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.90 0.00 26 D 8.42 4.48 0.00 2.52 2.40 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 27 F 7.45 4.76 0.00 2.15 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 0.00 0.00 0.00 28 F 8.68 5.05 0.00 3.01 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 29 H 9.01 4.83 0.00 3.06 3.34 0.00 5.84 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 9.05 4.17 2.03 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 1.22 0.88 0.94 0.00 0.00 *35 V 7.38 3.92 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 0.99 0.00 0.00 0.96 0.00 0.00 36 E 8.79 5.00 0.00 1.68 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 2.08 2.16 0.00 37 R 8.98 4.33 0.00 1.99 2.02 0.00 3.19 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 38 Y 8.72 4.76 0.00 2.99 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 39 H 8.39 4.53 0.00 3.38 3.40 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.59 4.39 0.00 2.77 2.73 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 41 L 7.72 4.18 0.00 1.65 1.73 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.56 4.66 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 43 L 8.24 4.49 0.00 1.59 1.60 0.93 0.91 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 44 V 8.27 4.10 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 0.92 0.00 0.00 45 E 9.12 4.62 0.00 1.92 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 2.21 2.25 0.00 46 I 8.45 4.54 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 0.95 0.00 0.00 47 L 8.57 4.62 0.00 1.61 1.53 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.02 3.99 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 49 Q 8.10 3.32 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.51 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 50 D 7.56 4.82 0.00 2.75 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 51 C 8.23 4.35 0.00 2.98 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 52 T 8.24 4.53 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 1.19 0.00 0.00 53 L 8.89 4.83 0.00 1.54 1.53 0.96 0.52 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 54 I 8.27 5.02 1.87 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 1.39 0.55 0.91 0.00 0.00 55 S 9.14 4.80 0.00 3.85 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.26 5.07 1.90 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 1.37 0.70 0.94 0.00 0.00 57 N 9.34 4.92 0.00 2.82 2.83 0.00 0.00 6.16 7.57 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 58 R 8.80 5.00 0.00 1.89 1.90 0.00 3.22 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 59 A 8.93 4.91 1.45 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 0.00 0.00 0.00 60 Q 8.66 4.65 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.04 0.00 0.00 0.00 0.00 0.00 2.48 2.33 0.00 61 P 0.00 4.78 0.00 2.04 2.20 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 62 A 8.89 4.81 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 63 N 8.42 4.77 0.00 2.73 2.73 0.00 0.00 6.13 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 64 L 8.03 4.18 0.00 1.58 1.63 0.78 0.64 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 65 P 0.00 4.67 0.00 2.21 2.08 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 1.98 1.99 0.00 66 L 8.39 4.78 0.00 1.77 1.57 1.23 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.36 5.21 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 68 I 8.50 4.76 1.75 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 1.21 1.10 0.59 0.00 0.00 69 H 8.23 5.18 0.00 3.20 3.47 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.83 5.09 0.00 2.09 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 2.09 2.30 0.00 71 L 9.19 5.17 0.00 1.54 1.82 0.89 0.94 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 72 E 9.47 5.58 0.00 1.87 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 0.00 2.16 1.86 0.00 73 R 8.54 4.50 0.00 1.28 0.93 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 74 H 8.42 4.94 0.00 3.23 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.58 0.00 1.98 2.04 0.00 3.63 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 1.99 1.94 0.00 76 L 7.47 4.69 0.00 1.66 1.61 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.51 4.88 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 0.00 0.00 0.00 78 T 8.50 4.62 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 1.33 0.00 0.00 79 Q 8.68 4.53 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 1.57 2.01 0.00 80 A 8.59 5.10 1.15 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 0.00 0.00 81 F 9.12 5.36 0.00 2.88 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 82 I 9.02 4.88 1.91 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 1.30 0.62 0.93 0.00 0.00 83 P 0.00 4.21 0.00 2.17 1.71 0.00 3.56 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.25 0.00 *85 K 8.45 3.99 0.00 2.12 1.87 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.34 7.81 86 G 8.39 4.31 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 0.00 87 E 7.80 4.31 0.00 1.90 1.93 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 2.35 2.35 0.00 88 V 8.44 4.40 2.26 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 0.56 0.00 0.00 0.96 0.00 0.00 89 F 8.98 5.18 0.00 3.19 3.23 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 0.00 90 V 8.30 4.70 2.32 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 1.06 0.00 0.00 0.97 0.00 0.00 91 V 8.83 4.74 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 0.65 0.00 0.00 1.00 0.00 0.00 92 V 8.53 4.92 2.20 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 1.06 0.00 0.00 1.00 0.00 0.00 93 V 8.80 5.32 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 1.03 0.00 0.00 0.45 0.00 0.00 94 A 9.01 4.97 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 95 L 8.79 4.93 0.00 1.71 1.72 0.76 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 96 G 9.09 5.03 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 97 D 9.12 4.57 0.00 2.74 2.79 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 98 D 7.72 5.04 0.00 2.69 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 99 K 7.60 4.07 0.00 1.63 1.79 0.00 1.42 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.28 7.81 100 P 0.00 4.20 0.00 1.70 1.68 0.00 3.05 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.00 101 D 8.98 4.58 0.00 2.71 2.64 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 0.00 102 L 8.48 3.97 0.00 1.71 1.70 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.01 4.30 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.17 4.53 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 105 L 7.59 4.29 0.00 1.62 1.74 0.92 0.83 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 0.00 106 R 8.72 4.63 0.00 1.37 1.02 0.00 3.41 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.75 0.00 107 A 7.74 4.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.26 5.36 0.00 2.74 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 0.00 109 I 8.48 4.72 1.68 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.15 0.86 0.00 0.00 110 T 8.14 4.41 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 0.11 0.00 0.00 111 N 8.95 4.62 0.00 2.79 2.87 0.00 0.00 7.22 6.68 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 0.00 112 G 8.37 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 0.00 113 E 8.77 4.58 0.00 1.81 1.86 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 2.19 2.34 0.00 114 Q 8.19 4.91 0.00 1.75 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 115 G 9.10 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.86 5.01 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 0.24 0.00 0.00 0.79 0.00 0.00 117 N 8.93 5.12 0.00 2.73 2.64 0.00 0.00 7.47 7.01 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 0.00 118 Y 8.95 4.72 0.00 2.92 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 0.00 119 H 9.05 4.70 0.00 3.21 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.45 4.15 0.00 1.90 1.94 0.00 2.73 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 121 N 9.09 3.95 0.00 2.88 2.83 0.00 0.00 6.90 7.27 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 0.00 122 V 7.21 4.23 2.29 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 1.10 0.00 0.00 1.09 0.00 0.00 123 W 8.96 4.78 0.00 3.52 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 0.00 124 H 9.13 5.84 0.00 2.86 2.84 0.00 5.52 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 0.00 125 H 8.72 4.98 0.00 3.25 3.44 0.00 5.95 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 0.00 126 P 0.00 4.30 0.00 2.00 1.98 0.00 2.98 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.22 0.00 127 L 8.23 3.71 0.00 0.91 1.37 0.27 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 128 F 7.73 5.07 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 0.00 129 A 8.77 4.95 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 130 W 8.44 5.08 0.00 3.59 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.81 3.33 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 1.65 1.16 0.00 132 R 7.60 4.50 0.00 1.75 1.81 0.00 3.07 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 133 V 8.60 3.90 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 0.83 0.00 0.00 0.98 0.00 0.00 134 T 8.79 4.52 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 0.32 0.00 0.00 135 D 8.32 5.04 0.00 2.51 2.53 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 0.00 0.00 0.00 0.00 136 F 9.11 4.82 0.00 2.94 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 0.00 137 L 9.18 4.50 0.00 1.75 1.68 0.93 0.57 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 0.00 138 T 9.37 5.02 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 1.03 0.00 0.00 139 I 8.10 4.93 1.79 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 1.26 0.76 0.87 0.00 0.00 140 D 8.23 4.81 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.00 5.21 0.00 1.90 1.98 0.00 2.78 0.00 0.00 3.87 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 142 G 8.17 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 0.00 0.00 0.00 0.00 *145 D 8.55 4.30 0.00 2.71 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 0.00 146 N 8.66 5.06 0.00 2.73 2.74 0.00 0.00 6.95 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 0.00 147 C 7.54 5.07 0.00 2.96 2.92 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 0.00 148 D 8.64 4.77 0.00 2.46 2.75 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 0.00 0.00 0.00 149 V 8.46 5.03 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 0.82 0.00 0.00 0.97 0.00 0.00 150 E 9.33 4.82 0.00 2.01 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 1.73 1.96 0.00 151 S 8.68 5.05 0.00 4.00 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 0.00 152 I 8.46 4.71 1.78 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 1.17 0.68 0.73 0.00 0.00 153 P 0.00 4.37 0.00 1.92 2.00 0.00 3.65 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 154 E 8.82 4.14 0.00 1.97 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 2.29 2.38 0.00 155 Q 9.26 4.66 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 156 E 8.55 4.51 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 157 L 8.46 4.48 0.00 1.73 1.37 0.87 0.99 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 0.00 158 C 8.85 4.89 0.00 2.73 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 0.00 159 F 9.25 4.36 0.00 3.08 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 A 7.89 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 0.00 161 L 8.51 4.06 0.00 1.84 1.76 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.