NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 45 E 4.3063 8.4293 116.7564 55.8595 31.5956 179.3517 46 N 4.7771 8.6980 121.4659 52.5517 40.1800 173.9951 47 L 4.0416 8.5061 123.1755 59.5825 41.2623 177.3743 48 Y 4.2301 8.2317 122.1478 61.4594 38.8772 178.9825 *49 F 4.1033 8.1439 120.7932 61.8779 38.1583 179.1045 50 Q 4.1680 8.0228 118.8402 58.9457 28.6597 179.0809 51 S 4.2127 8.1729 115.1795 61.5599 62.8253 176.4831 52 M 4.0285 7.9694 124.9775 58.6433 31.6069 179.2780 53 R 3.9015 7.7456 120.3492 61.6489 29.6221 180.2132 54 N 4.4693 8.4661 117.9464 56.1891 38.4830 177.1212 55 F 4.0372 8.2725 121.6410 61.3292 39.5833 176.7144 56 S 3.6454 8.5249 113.2719 61.5262 62.0079 176.2580 57 E 3.9150 8.3464 120.2122 59.0472 29.1932 178.4730 58 D 4.2106 7.5349 118.2686 57.1692 41.4981 178.0359 59 V 2.0000 7.0261 118.6956 65.3404 31.4956 178.1070 60 L 4.0436 7.4705 118.6217 57.3246 41.2914 179.4628 61 G 3.7581 7.6279 106.1671 47.8426 0.0000 175.5935 62 W 4.5940 7.8079 122.5109 59.9116 29.1383 178.4864 63 R 4.3685 8.0816 120.3990 59.7469 29.2533 182.1596 64 E 4.6589 8.2955 117.0582 59.8930 31.1594 181.8780 65 S 4.9133 7.1986 110.0434 55.9847 65.6856 175.6845 66 F 3.6097 8.5152 124.2947 61.2668 38.9615 177.2477 67 D 4.1235 7.8932 118.2311 57.1700 40.4277 178.5825 68 L 3.9877 7.9300 118.7348 57.5328 42.0271 178.8348 69 L 3.7690 7.6861 120.0658 58.3324 41.8022 179.2493 70 L 3.5886 7.5989 119.6990 57.7697 41.3967 179.8617 71 S 4.3292 7.6587 117.7156 60.9547 62.8999 178.9078 72 S 4.8444 7.5415 117.8154 57.8939 63.6839 175.6507 73 K 4.0357 8.7639 132.2155 60.1069 31.4917 176.7058 74 N 4.8904 8.3405 117.0636 55.6298 38.6534 177.8380 75 G 2.2081 8.4227 107.9485 47.3441 0.0000 176.3482 76 V 3.4564 7.6919 114.9413 63.7261 31.4037 178.3787 77 A 3.9623 7.8330 120.0385 55.2235 18.2782 179.5602 78 A 4.0679 7.9812 119.1080 55.4151 18.4199 179.7177 79 F 3.6563 8.0043 119.2468 61.2226 39.3029 176.6262 80 H 3.8339 8.6916 118.2264 59.4598 29.3878 177.0934 81 A 4.0038 7.5167 121.0019 54.9620 18.4081 179.1112 82 F 4.2617 8.3054 119.2690 61.4769 39.5245 177.5015 83 L 3.6076 8.0175 118.9479 57.2927 41.2824 179.3933 84 K 4.3228 8.1062 120.3038 59.0755 31.7713 179.2886 85 T 3.5705 7.0991 108.0143 63.5234 68.6367 175.4650 86 E 4.3273 7.0752 118.9929 54.6040 30.3547 175.3216 87 F 3.7320 6.8996 116.2098 59.0455 37.4090 175.8055 88 S 4.6669 8.0752 110.4438 57.1135 63.8838 174.8998 89 E 3.9508 8.0297 119.0729 58.9449 29.3265 178.3401 90 E 4.1706 8.3147 118.7555 59.6305 29.3299 178.7697 91 N 4.3961 8.0914 117.0254 56.2822 38.6005 177.0811 92 L 4.1142 7.8488 121.1484 58.0380 42.2579 178.5836 93 E 4.0254 8.4023 118.7934 59.0926 29.2831 179.1144 94 F 2.7439 8.0626 120.7561 60.5017 39.4225 176.7480 95 W 3.5780 7.9760 127.9752 60.5181 30.5781 177.9065 96 L 4.0072 8.2869 118.5266 57.5669 40.9965 179.1552 97 A 3.9118 7.8588 120.7533 55.5095 18.3270 179.3230 98 C 3.7355 7.5117 115.2813 63.0327 27.8599 176.3470 99 E 3.6666 7.3360 118.8121 59.2539 29.2544 179.0499 100 E 4.0414 7.9369 118.2253 59.2451 29.5174 178.8300 101 F 4.0571 8.3353 120.8656 61.5002 39.1976 177.2036 102 K 3.9711 8.0162 115.6953 58.1584 31.9066 178.4131 103 K 4.2181 7.5377 117.3973 55.8577 32.6654 176.7943 104 I 3.8992 6.9782 121.5807 61.0534 37.5657 175.9440 105 R 4.2967 8.2844 123.1607 57.1018 31.7835 177.4875 106 S 4.1814 7.8222 112.7575 57.6461 63.6358 174.1088 107 A 3.9864 8.6891 131.4089 55.6754 18.2435 179.7761 108 T 3.8383 7.8214 107.6573 65.0300 68.9293 176.8218 109 K 4.0770 8.3155 121.4282 58.7352 31.9928 179.4867 110 L 3.9330 8.3137 119.7132 57.6446 41.5841 179.1848 111 A 4.1790 8.2324 120.7731 55.3156 18.2569 179.2526 112 S 4.1365 8.1791 111.5631 61.9435 62.3604 176.5561 113 R 4.0387 8.4332 120.9111 59.4027 29.7530 178.2912 114 A 4.1481 8.4557 120.7275 55.5897 18.4041 179.3827 115 H 4.2606 8.5654 114.7996 59.0126 28.8547 178.1492 116 Q 4.0889 8.1058 119.9941 58.9715 28.5911 178.7877 117 I 3.8583 8.1196 120.9916 64.2857 37.1521 177.8550 118 F 4.2420 8.6457 121.7158 61.9355 38.9804 177.2630 119 E 4.2473 8.3959 116.3340 58.9817 29.5092 178.4890 120 E 3.9359 7.9525 118.9321 57.6611 29.7674 177.6198 121 F 4.9592 8.1492 114.8081 55.9023 41.5273 176.6687 122 I 3.9005 7.8357 120.2167 61.8336 39.2131 176.0919 123 C 3.8371 6.9308 113.9723 56.6633 30.5515 172.7342 124 S 4.1317 8.5099 118.0812 60.7145 62.1657 174.4332 125 E 3.7600 8.9454 122.0187 56.5650 27.8025 171.8023 126 A 4.1241 7.7636 122.9035 52.1904 18.9071 178.0104 127 P 4.2940 0.0000 0.0000 65.4097 31.0939 176.5886 128 K 4.7115 7.8300 118.5759 55.2300 33.1632 176.2072 129 E 4.1444 8.0603 120.9815 57.1480 29.9652 177.1245 130 V 3.9878 8.2228 120.2958 60.5867 33.3583 176.5079 131 N 4.6125 8.5572 121.9136 52.0763 37.3052 173.8317 132 I 4.6747 7.4617 115.3428 57.6105 41.2700 176.0654 133 D 4.7055 8.2492 121.4255 52.6796 41.8222 176.8074 134 H 4.0577 8.6723 118.7191 59.4759 29.7079 176.6771 135 E 3.9179 8.1807 120.4327 59.6791 29.6057 178.6981 136 T 3.8982 8.4175 115.8889 66.5444 68.4485 176.6564 137 R 3.9691 8.0111 120.6038 59.5933 30.1981 178.4935 138 E 4.0421 8.3626 118.5254 59.2495 29.1807 179.3056 139 L 3.9789 8.0714 118.5597 58.0626 42.0103 179.3392 140 T 3.9126 7.9572 115.5265 66.7721 68.2463 176.4444 141 R 3.2449 8.4434 120.8454 59.7236 29.7707 178.2649 142 M 4.0715 7.8984 116.8245 57.4784 32.1178 177.5513 143 N 4.5482 7.8322 115.7552 54.0170 38.7410 177.0928 144 L 3.7985 7.0652 120.6600 57.8314 41.8040 178.1977 145 Q 4.1579 8.0031 118.0640 58.5418 29.2097 176.7890 146 T 4.5620 7.4168 106.8184 60.5318 69.3639 174.3308 147 A 4.1618 8.3940 124.5290 53.3002 19.1474 177.8697 148 T 4.5409 8.1847 112.1893 59.2601 71.4605 174.9398 149 A 3.9918 8.4382 123.5666 54.6016 18.5174 178.1933 150 T 4.7254 7.7885 105.2900 61.4650 69.2515 176.0238 151 C 3.7013 8.1919 124.2364 62.7749 31.4859 175.1382 152 F 4.8108 7.7891 115.3736 57.4549 38.7484 177.2319 153 D 4.2984 8.1190 122.0485 57.3242 40.5881 178.5199 154 A 4.0115 8.0337 120.4831 55.2650 18.5544 179.4308 155 A 4.0976 8.1185 118.7999 55.3922 18.5365 179.4059 156 Q 4.2558 8.6545 120.4695 58.7415 29.0747 178.8286 157 G 3.6900 8.6153 107.1364 47.7965 0.0000 175.8474 158 K 4.0955 8.3147 121.4124 59.4388 31.7321 179.6125 159 T 4.0483 8.3177 110.1541 64.5758 68.6605 176.5580 160 R 4.0337 8.5164 121.7558 59.8248 30.1895 178.4524 161 T 3.8949 8.0125 115.3432 66.6682 68.3044 176.3873 162 L 4.0026 8.0996 120.6474 58.1831 41.6417 179.5685 163 M 4.2798 8.0295 119.7128 58.0384 31.7614 178.5875 164 E 3.1261 8.2607 120.8521 59.2609 29.7590 179.1802 165 K 4.2438 8.0463 125.6548 60.1637 31.9125 181.0845 166 D 4.8799 7.9668 121.6862 57.1717 40.1914 181.0843 167 S 4.6531 7.7975 113.9484 61.1535 63.8048 175.6839 168 Y 4.2360 8.2683 123.4015 60.3975 38.5022 176.7611 169 P 3.8922 0.0000 0.0000 65.3224 31.1945 178.8498 170 R 4.0012 7.3032 113.4684 58.8233 30.2206 178.2884 171 F 2.8931 8.2636 120.9963 60.9458 39.0929 177.2019 172 L 3.4909 7.2610 119.1424 57.4217 41.4645 179.3954 173 K 4.2329 7.4588 121.7415 56.7878 32.2715 181.7272 174 S 4.6287 6.8782 112.9294 58.3156 64.0873 173.8499 175 P 4.1758 0.0000 0.0000 65.8265 31.1882 178.7589 176 A 4.0931 8.1316 119.1340 55.3744 18.1974 179.0044 177 Y 3.8293 7.7357 117.5566 60.9726 38.9183 177.8008 178 R 3.7903 8.0710 119.1511 59.3374 30.0815 178.4806 179 D 4.2217 8.5811 117.7577 57.4753 41.2818 178.3116 180 L 4.0548 7.8349 119.1625 57.7781 41.6089 179.5130 181 A 3.5143 7.8428 120.8387 54.5781 18.0773 179.6000 182 A 3.8202 7.9267 119.3849 55.5012 18.3170 179.6954 183 Q 3.9590 8.1693 115.2698 59.1452 28.9732 178.9134 184 A 4.1624 8.4368 122.2035 55.3033 18.1946 179.9450 185 S 4.0296 7.8993 111.0318 61.2370 63.1141 175.9770 186 A 4.0880 7.6433 123.4323 54.9260 18.1339 177.0949 187 A 4.1333 7.6670 123.8395 52.5751 18.4310 177.0749 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 45 E 8.43 4.31 0.00 2.01 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 2.13 1.88 0.00 46 N 8.70 4.78 0.00 3.02 3.02 0.00 0.00 6.07 5.79 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 47 L 8.51 4.04 0.00 1.67 1.72 0.92 0.62 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 48 Y 8.23 4.23 0.00 3.08 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 *49 F 8.14 4.10 0.00 2.33 2.28 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 50 Q 8.02 4.17 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 51 S 8.17 4.21 0.00 3.97 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 7.97 4.03 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.56 0.00 53 R 7.75 3.90 0.00 1.85 1.94 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 54 N 8.47 4.47 0.00 2.88 2.94 0.00 0.00 6.75 7.72 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 55 F 8.27 4.04 0.00 3.12 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 56 S 8.52 3.65 0.00 3.95 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 57 E 8.35 3.92 0.00 2.25 2.24 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 2.29 2.18 0.00 58 D 7.53 4.21 0.00 2.84 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 59 V 7.03 2.00 1.14 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 0.35 0.00 0.00 -0.29 0.00 0.00 60 L 7.47 4.04 0.00 1.66 1.61 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.63 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 W 7.81 4.59 0.00 3.41 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 63 R 8.08 4.37 0.00 1.95 1.82 0.00 3.25 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 64 E 8.30 4.66 0.00 2.03 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 2.20 2.17 0.00 65 S 7.20 4.91 0.00 3.97 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 66 F 8.52 3.61 0.00 2.09 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 67 D 7.89 4.12 0.00 2.75 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 68 L 7.93 3.99 0.00 1.92 1.84 1.02 1.17 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 69 L 7.69 3.77 0.00 1.73 1.49 0.06 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.60 3.59 0.00 0.99 0.98 -0.74 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.66 4.33 0.00 3.73 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.54 4.84 0.00 4.19 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 73 K 8.76 4.04 0.00 1.80 1.81 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.10 7.81 74 N 8.34 4.89 0.00 3.33 3.31 0.00 0.00 7.03 7.58 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 75 G 8.42 2.21 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 0.00 76 V 7.69 3.46 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 0.65 0.00 0.00 0.95 0.00 0.00 77 A 7.83 3.96 1.44 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 78 A 7.98 4.07 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 79 F 8.00 3.66 0.00 2.38 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 80 H 8.69 3.83 0.00 3.27 3.45 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.52 4.00 1.43 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 0.00 0.00 82 F 8.31 4.26 0.00 3.52 3.31 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 83 L 8.02 3.61 0.00 1.48 1.46 0.43 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.11 4.32 0.00 1.84 1.66 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.07 7.81 85 T 7.10 3.57 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 1.11 0.00 0.00 86 E 7.08 4.33 0.00 1.76 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 1.91 1.70 0.00 87 F 6.90 3.73 0.00 3.18 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 88 S 8.08 4.67 0.00 3.76 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.03 3.95 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 2.43 2.16 0.00 90 E 8.31 4.17 0.00 2.50 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.69 0.00 91 N 8.09 4.40 0.00 2.94 2.99 0.00 0.00 6.56 6.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.85 4.11 0.00 1.68 1.79 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.40 4.03 0.00 2.41 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 2.46 2.59 0.00 94 F 8.06 2.74 0.00 2.27 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 95 W 7.98 3.58 0.00 3.60 3.36 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 96 L 8.29 4.01 0.00 1.97 1.72 0.97 1.10 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 97 A 7.86 3.91 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 98 C 7.51 3.74 0.00 2.40 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.34 3.67 0.00 1.79 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 1.47 1.49 0.00 100 E 7.94 4.04 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 101 F 8.34 4.06 0.00 3.16 3.27 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 0.00 102 K 8.02 3.97 0.00 1.84 1.78 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.71 1.70 7.81 103 K 7.54 4.22 0.00 1.76 1.78 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.67 7.81 104 I 6.98 3.90 1.58 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.38 0.81 0.00 0.00 105 R 8.28 4.30 0.00 1.73 1.91 0.00 3.17 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 106 S 7.82 4.18 0.00 3.87 3.71 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 0.00 107 A 8.69 3.99 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 0.00 108 T 7.82 3.84 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 1.22 0.00 0.00 109 K 8.32 4.08 0.00 1.81 1.90 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.48 7.81 110 L 8.31 3.93 0.00 1.90 1.86 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.23 4.18 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.18 4.14 0.00 3.97 4.14 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 0.00 0.00 0.00 0.00 113 R 8.43 4.04 0.00 2.20 2.35 0.00 3.48 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 114 A 8.46 4.15 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.57 4.26 0.00 3.41 3.40 0.00 5.62 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 0.00 116 Q 8.11 4.09 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 117 I 8.12 3.86 1.86 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.04 0.38 0.00 0.00 118 F 8.65 4.24 0.00 3.34 3.35 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 0.00 119 E 8.40 4.25 0.00 2.13 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 2.49 2.65 0.00 120 E 7.95 3.94 0.00 1.78 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 0.00 1.47 1.79 0.00 121 F 8.15 4.96 0.00 3.02 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 0.00 122 I 7.84 3.90 1.36 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.08 0.77 0.00 0.00 123 C 6.93 3.84 0.00 3.00 2.21 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 0.00 124 S 8.51 4.13 0.00 3.84 3.82 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 0.00 125 E 8.95 3.76 0.00 2.22 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 2.15 2.11 0.00 126 A 7.76 4.12 1.30 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 0.00 127 P 0.00 4.29 0.00 2.07 2.14 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 128 K 7.83 4.71 0.00 1.51 1.87 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.22 7.81 129 E 8.06 4.14 0.00 2.13 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 2.24 2.33 0.00 130 V 8.22 3.99 1.97 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 0.56 0.00 0.00 0.51 0.00 0.00 131 N 8.56 4.61 0.00 2.65 2.75 0.00 0.00 6.76 7.94 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 0.00 132 I 7.46 4.67 1.87 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 1.36 0.80 0.88 0.00 0.00 133 D 8.25 4.71 0.00 3.00 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 0.00 134 H 8.67 4.06 0.00 3.28 3.37 0.00 5.87 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 0.00 135 E 8.18 3.92 0.00 2.12 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 2.39 2.43 0.00 136 T 8.42 3.90 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 1.27 0.00 0.00 137 R 8.01 3.97 0.00 1.88 2.06 0.00 3.04 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 138 E 8.36 4.04 0.00 1.95 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 2.19 2.34 0.00 139 L 8.07 3.98 0.00 1.65 1.73 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 140 T 7.96 3.91 4.64 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 1.31 0.00 0.00 141 R 8.44 3.24 0.00 1.89 2.02 0.00 3.03 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.10 0.00 142 M 7.90 4.07 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.53 0.00 143 N 7.83 4.55 0.00 2.55 2.73 0.00 0.00 6.82 6.78 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 0.00 144 L 7.07 3.80 0.00 1.33 1.26 0.20 0.69 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 0.00 145 Q 8.00 4.16 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.54 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 146 T 7.42 4.56 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 1.20 0.00 0.00 147 A 8.39 4.16 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 4.54 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 1.25 0.00 0.00 149 A 8.44 3.99 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 0.00 150 T 7.79 4.73 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 151 C 8.19 3.70 0.00 3.10 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.79 4.81 0.00 2.97 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 8.12 4.30 0.00 2.73 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 0.00 154 A 8.03 4.01 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 0.00 155 A 8.12 4.10 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 0.00 0.00 0.00 0.00 0.00 156 Q 8.65 4.26 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.22 1.66 0.00 157 G 8.62 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 K 8.31 4.10 0.00 2.03 1.94 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.75 1.65 7.81 159 T 8.32 4.05 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 160 R 8.52 4.03 0.00 2.31 2.33 0.00 3.32 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 161 T 8.01 3.89 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 162 L 8.10 4.00 0.00 2.00 1.77 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 163 M 8.03 4.28 0.00 2.44 2.42 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.50 0.00 164 E 8.26 3.13 0.00 1.37 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 2.18 1.86 0.00 165 K 8.05 4.24 0.00 1.92 1.70 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.38 1.32 7.81 166 D 7.97 4.88 0.00 2.63 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 0.00 167 S 7.80 4.65 0.00 4.35 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 0.00 168 Y 8.27 4.24 0.00 2.19 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 0.00 169 P 0.00 3.89 0.00 2.12 1.94 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 170 R 7.30 4.00 0.00 2.26 2.27 0.00 3.24 0.00 0.00 3.51 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 171 F 8.26 2.89 0.00 2.65 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 0.00 172 L 7.26 3.49 0.00 1.44 1.39 0.20 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 173 K 7.46 4.23 0.00 1.90 1.71 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.31 7.81 174 S 6.88 4.63 0.00 4.08 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 P 0.00 4.18 0.00 2.22 2.15 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 176 A 8.13 4.09 1.43 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 0.00 0.00 177 Y 7.74 3.83 0.00 2.49 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 0.00 178 R 8.07 3.79 0.00 1.96 1.92 0.00 3.18 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 179 D 8.58 4.22 0.00 2.74 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 0.00 180 L 7.83 4.05 0.00 1.52 1.52 1.22 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 181 A 7.84 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 A 7.93 3.82 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 0.00 183 Q 8.17 3.96 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 184 A 8.44 4.16 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 0.00 185 S 7.90 4.03 0.00 4.01 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 0.00 186 A 7.64 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 187 A 7.67 4.13 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 * Residues marked with a * may have inaccurate shift predictions.