NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 S 4.1837 8.3349 115.3739 57.4422 64.3161 173.6131 20 W 4.4055 8.1852 123.5206 56.1585 29.7873 174.3937 21 K 4.2651 9.1596 120.7514 56.3264 33.9153 176.0936 22 R 4.8374 8.3011 121.5451 55.2743 31.9499 175.5972 23 C 4.4630 8.7863 123.4001 58.8010 32.1706 174.6146 24 A 3.6876 7.9325 129.4968 54.2459 18.1913 178.8356 25 G 4.0589 7.7852 104.5515 47.5711 0.0000 174.2544 26 C 4.6655 7.7906 111.6244 56.4799 31.0074 175.4534 27 G 3.8116 8.4277 108.4571 45.7016 0.0000 173.9704 28 G 4.0446 7.3245 107.0927 45.0073 0.0000 173.8964 29 K 4.5826 8.5837 120.6907 56.4491 33.0665 177.0373 30 I 4.0469 8.4476 125.5823 60.0271 37.2274 175.5839 31 A 2.5800 7.9612 129.4635 51.3768 19.5897 177.0174 32 D 4.3930 7.4237 115.7231 53.9702 41.7039 176.4593 33 R 3.8303 8.5948 122.8867 58.6431 31.1470 176.1172 34 F 5.5151 7.9578 115.9194 55.6751 41.9926 174.7599 35 L 4.8463 9.1523 122.0703 54.9861 44.4869 174.1163 36 L 5.4667 9.0513 117.3505 53.2726 45.8158 175.3449 37 Y 5.3622 8.9489 122.4396 56.0177 41.6688 174.1740 38 A 4.4878 9.2948 126.0785 51.7287 23.4104 175.7010 39 M 3.1036 9.3605 117.5306 56.6914 29.6465 177.6949 40 D 4.2927 8.0302 113.9869 54.6722 38.6505 173.7242 41 S 4.5972 7.3628 114.7977 56.8542 67.4717 172.6011 42 Y 5.2006 8.1519 118.1675 56.8808 40.4585 174.8961 43 W 5.5067 9.1527 120.6070 55.1899 34.3029 174.6456 44 H 4.6554 9.0064 120.5985 55.8441 29.3034 176.4530 45 S 4.1985 9.0656 117.9848 61.6488 61.9887 176.7328 46 R 4.0855 8.0599 116.7124 58.6673 29.2996 177.4614 47 C 4.7469 8.0259 115.9417 59.3321 29.1893 173.2601 48 L 4.0741 7.7773 123.3448 53.0230 40.9075 174.8687 49 K 5.0419 7.8153 123.7115 53.8586 35.9781 176.1510 50 C 4.3959 8.6958 122.8130 59.4057 31.9881 174.9690 51 S 4.1516 9.2737 124.1992 61.6811 62.8424 175.9753 52 S 4.2910 8.2148 113.8777 60.6382 62.0707 174.3136 53 C 4.5447 7.8711 112.0125 57.2117 30.5033 174.5949 54 Q 4.0273 8.4217 117.9834 56.4236 26.6028 173.5208 55 A 4.0211 7.2458 121.4163 52.2611 19.0369 178.1457 56 Q 4.5929 8.4240 120.4006 54.8516 27.9676 176.7819 57 L 3.9507 8.5981 125.2282 57.7553 41.8559 180.5325 58 G 3.6022 7.9377 103.3980 46.9139 0.0000 174.4314 59 D 4.6714 7.7981 120.2255 56.1471 41.7788 178.4728 60 I 4.0649 7.7508 112.4393 64.8405 38.2452 175.3915 61 G 4.0622 7.7676 106.8353 45.4306 0.0000 172.5372 62 T 4.6555 8.4014 109.5152 61.5057 70.1277 173.7029 63 S 5.0176 7.8158 115.5277 57.6045 66.3124 172.8439 64 S 4.9813 8.7549 114.9642 56.7059 66.6099 172.2395 65 Y 4.9224 8.8546 117.3014 56.1868 41.2053 174.8314 66 T 5.0730 8.2504 114.4539 59.9393 70.9202 173.9550 67 K 4.1222 9.0683 122.8479 56.8682 35.7316 174.9759 68 S 3.8533 9.8171 121.1670 59.7381 60.2666 173.4315 69 G 3.9905 8.6177 107.1562 45.5801 0.0000 173.7977 70 M 4.7683 7.9312 119.2826 53.6526 35.3452 175.0077 71 I 4.9458 8.5878 121.5820 59.7198 40.1249 174.7662 72 L 5.2886 9.0323 127.4271 52.5583 45.4703 176.5321 73 C 4.7109 8.6142 116.4758 57.7335 30.7915 174.5716 74 R 3.6887 8.8654 120.1230 59.8486 29.5648 178.3376 75 N 4.3083 8.1035 115.5685 56.5472 38.5960 177.0054 76 D 4.3937 8.0441 119.6133 56.9025 40.9671 178.0788 77 Y 4.1395 8.1942 120.6057 60.7254 38.8026 178.0159 78 I 3.1843 7.7727 120.9840 64.2485 36.9685 178.4112 79 R 3.7234 7.5757 117.9537 59.4015 30.0137 178.1338 80 L 3.8615 7.6219 117.2119 56.1199 41.8312 177.5372 81 F 4.6376 7.6276 113.8045 56.3884 40.8784 175.5417 82 G 3.4423 7.8719 110.0000 44.9730 0.0000 173.5213 83 N 4.6491 8.3560 117.8961 52.4304 38.9710 175.3390 84 S 4.5451 8.5330 119.0473 58.2286 64.8221 173.5673 85 G 4.2590 8.6385 106.2456 45.2811 0.0000 170.9550 86 A 5.0952 8.2453 120.0395 50.4002 22.5891 176.0708 87 C 4.2719 8.8560 122.5904 58.9884 32.0521 175.0758 88 S 3.9788 8.5051 123.2029 61.3177 62.8084 175.9653 89 A 4.2589 8.2461 122.7765 54.9457 18.1837 177.9718 90 C 4.4450 8.2073 108.4082 57.6639 30.7547 175.4356 91 G 3.7582 8.4606 109.0302 45.4316 0.0000 173.6043 92 Q 4.5393 7.3769 119.2493 54.7096 30.2944 175.8812 93 S 4.6431 8.6945 117.1171 58.8738 64.1307 173.3552 94 I 4.5969 8.6384 122.1624 58.9141 40.1043 173.6909 95 P 4.6793 0.0000 0.0000 61.9843 32.3307 177.3708 96 A 4.0328 8.7821 125.2457 55.1149 18.3533 179.6122 97 S 4.3606 7.8427 108.2135 59.4119 64.0813 173.8016 98 E 4.4123 8.0118 123.5790 55.3038 30.8837 175.4887 99 L 4.7474 8.3970 125.6421 54.9667 42.7442 176.6572 100 V 4.6585 9.0486 114.9870 59.9791 36.3835 174.6047 101 M 4.4309 8.5456 122.2010 54.3293 33.8245 175.4817 102 R 5.2787 7.9962 119.3645 54.6284 33.8158 175.2095 103 A 4.6583 9.2544 124.5329 52.6772 22.6176 176.4840 104 Q 3.2638 9.7923 121.5163 56.9402 26.4199 175.0567 105 G 3.8728 8.3979 102.2629 45.8266 0.0000 173.4350 106 N 4.9419 8.2920 117.3775 51.4817 41.7126 174.1412 107 V 4.8589 7.7069 112.2499 59.9417 35.7852 174.5025 108 Y 5.0185 8.9185 120.2889 56.1881 42.5303 174.9513 109 H 4.5970 8.8822 119.3713 55.9017 29.8269 176.4482 110 L 3.9670 8.8058 122.9227 58.1556 41.5261 179.3226 111 K 4.3371 8.0141 114.1823 57.6156 32.2924 177.1158 112 C 4.4781 8.1141 116.1939 60.1898 29.0617 174.4808 113 F 4.2890 7.8579 124.4035 56.4833 37.2599 173.9798 114 T 4.9001 6.9849 112.8707 58.6605 72.2725 174.1809 115 C 4.1964 8.6429 123.5500 59.1624 31.8900 175.0000 116 S 3.9830 9.0600 124.5543 61.4317 62.4403 175.7128 117 T 4.2651 7.6990 116.4620 65.5270 68.8229 175.5327 118 C 4.2841 7.7486 114.6950 58.2740 30.4623 174.9806 119 R 4.1111 8.0605 118.1203 55.8439 28.2937 176.0131 120 N 4.4334 7.7533 116.0490 53.4562 39.7773 174.0824 121 R 4.4390 8.4660 123.5757 56.2611 30.8281 175.7060 122 L 4.6405 8.5434 127.0984 54.2860 42.8689 176.7141 123 V 4.5771 9.2306 115.2505 58.4547 35.7353 173.3350 124 P 4.5994 0.0000 0.0000 64.8184 31.5023 176.5725 125 G 4.1169 9.0626 111.1652 45.3844 0.0000 173.8485 126 D 4.5907 7.9706 119.5404 54.7725 41.9638 176.2062 127 R 5.0536 8.5886 121.3304 55.9645 31.4887 175.5379 128 F 5.1755 9.4129 117.2593 56.2817 42.2102 172.4610 129 H 5.1484 9.7127 115.7792 54.0960 32.7010 172.5340 130 Y 5.2680 8.5226 121.2324 56.1222 42.2399 174.2590 131 I 4.4891 8.5110 127.1994 60.1980 39.7047 175.2299 132 N 4.3295 9.7196 125.5551 54.2949 35.7467 175.9101 133 G 4.1149 7.1203 104.7706 45.6336 0.0000 173.4901 134 S 4.4501 7.3884 116.6386 56.9700 64.5528 173.1301 135 L 5.1237 7.6090 124.2460 53.2173 43.9445 175.6214 136 F 4.9765 9.1185 121.0475 55.6721 43.4073 174.7875 137 C 4.7419 8.7842 117.4990 57.2521 30.6752 173.9071 138 E 3.8587 8.8080 120.6361 59.4196 28.9726 177.1235 139 H 4.8065 8.0468 112.3826 55.9208 29.2408 174.7237 140 D 4.9766 7.9478 120.1095 53.1692 41.5471 176.2816 141 R 3.6695 8.2716 119.3250 56.6598 30.6567 175.8867 142 P 4.2984 0.0000 0.0000 61.6491 28.1885 176.2901 143 T 3.6608 7.5907 117.2048 65.8415 67.8524 174.4119 144 A 4.0826 7.7413 121.4344 55.0556 18.5384 179.1407 145 L 4.0052 7.5801 115.9053 57.0957 42.1372 178.3049 146 I 3.7371 7.0775 118.3295 61.2408 37.6676 176.1936 *298 G 4.0030 8.5459 111.1938 45.7086 0.0000 174.6716 299 G 3.6449 7.9938 106.8475 47.1637 0.0000 173.4342 300 D 4.3278 7.9515 120.5728 54.3670 41.0735 175.8742 301 V 3.8024 8.2800 125.0041 62.8522 32.3051 174.9820 302 M 4.7093 8.7997 127.1777 53.4010 35.6590 174.5586 303 V 4.9735 8.1236 120.3740 61.0260 33.8061 175.4589 304 V 3.9244 9.1967 129.1387 63.1297 32.4472 175.9642 305 G 4.3587 8.6221 115.0990 44.8409 0.0000 173.0572 306 E 4.2151 8.5404 119.3786 55.4101 30.0195 175.6282 307 P 4.7375 0.0000 0.0000 63.2070 32.4674 175.3607 308 T 4.7771 8.4144 110.3567 59.8766 73.0399 173.1006 309 L 4.5014 8.3799 122.1162 54.8724 42.4827 177.9881 310 M 3.9513 8.7244 123.8286 58.7269 32.3091 178.1890 311 G 3.7957 7.9627 106.2248 46.2153 0.0000 175.3074 312 G 3.8481 7.5127 107.6625 45.5636 0.0000 172.9969 313 E 4.3313 8.6729 120.2582 56.0590 30.3974 175.8863 314 F 5.0429 7.8787 115.6530 54.7269 41.1122 174.5987 315 G 3.9742 9.0201 110.5647 45.2004 0.0000 172.9041 316 D 5.0549 8.3539 116.0115 52.8068 39.3173 178.3285 317 E 4.0151 8.3560 120.6313 59.4515 29.7789 177.6157 318 D 4.7069 8.0168 117.3052 53.9216 41.7804 175.2054 319 E 3.5670 7.6584 121.6211 55.5850 30.5439 176.2438 320 R 4.4145 8.5292 125.1145 54.0706 33.4508 174.9704 321 L 4.4246 8.5380 124.1076 54.8437 42.6440 176.6189 322 I 4.5596 8.2541 122.7462 60.0924 39.0980 175.2276 323 T 4.6108 8.8413 123.6955 61.8967 70.7673 173.6885 324 R 4.8218 8.6750 125.9673 55.4776 31.1335 175.8630 325 L 4.9562 9.1327 124.0482 52.8852 45.3526 174.9779 326 E 4.8289 8.7196 122.8301 54.6080 31.3386 175.1477 327 N 4.6098 9.0346 124.7179 53.9277 38.6536 174.5097 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 19 S 8.33 4.18 0.00 3.93 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 20 W 8.19 4.41 0.00 3.31 2.91 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 21 K 9.16 4.27 0.00 1.35 1.32 0.00 1.27 0.00 0.00 1.59 0.00 0.00 2.58 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.06 0.21 7.81 22 R 8.30 4.84 0.00 1.66 1.81 0.00 3.19 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 23 C 8.79 4.46 0.00 2.87 2.85 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 24 A 7.93 3.69 0.11 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 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.79 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 26 C 7.79 4.67 0.00 3.09 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 27 G 8.43 3.81 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 0.00 0.00 0.00 28 G 7.32 4.04 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 0.00 0.00 0.00 29 K 8.58 4.58 0.00 1.69 1.85 0.00 2.04 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.55 7.81 30 I 8.45 4.05 1.72 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 0.65 0.32 0.75 0.00 0.00 31 A 7.96 2.58 0.62 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 32 D 7.42 4.39 0.00 2.68 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 33 R 8.59 3.83 0.00 1.68 1.57 0.00 2.94 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 34 F 7.96 5.52 0.00 2.99 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 35 L 9.15 4.85 0.00 2.00 1.82 1.10 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 36 L 9.05 5.47 0.00 1.78 1.64 0.88 0.63 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 37 Y 8.95 5.36 0.00 2.91 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 38 A 9.29 4.49 1.04 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 0.00 0.00 39 M 9.36 3.10 0.00 2.21 2.30 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 2.44 2.51 0.00 40 D 8.03 4.29 0.00 2.75 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 41 S 7.36 4.60 0.00 3.54 3.03 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 42 Y 8.15 5.20 0.00 3.10 2.93 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 43 W 9.15 5.51 0.00 3.24 3.11 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 0.00 0.00 0.00 0.00 44 H 9.01 4.66 0.00 3.35 3.26 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 9.07 4.20 0.00 3.95 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 46 R 8.06 4.09 0.00 2.02 2.08 0.00 3.06 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 47 C 8.03 4.75 0.00 3.43 3.29 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 48 L 7.78 4.07 0.00 1.10 1.28 -0.50 -0.47 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 49 K 7.82 5.04 0.00 1.72 1.63 0.00 1.81 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.48 7.81 50 C 8.70 4.40 0.00 2.95 2.95 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 51 S 9.27 4.15 0.00 3.90 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 52 S 8.21 4.29 0.00 3.83 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 C 7.87 4.54 0.00 3.11 3.24 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 54 Q 8.42 4.03 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 55 A 7.25 4.02 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 56 Q 8.42 4.59 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 57 L 8.60 3.95 0.00 1.56 1.62 0.78 0.92 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 58 G 7.94 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.80 4.67 0.00 2.66 2.70 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 60 I 7.75 4.06 1.87 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 1.73 0.52 0.96 0.00 0.00 61 G 7.77 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 62 T 8.40 4.66 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 63 S 7.82 5.02 0.00 3.69 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 64 S 8.75 4.98 0.00 3.74 3.81 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 65 Y 8.85 4.92 0.00 2.79 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 0.00 0.00 0.00 0.00 66 T 8.25 5.07 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 1.18 0.00 0.00 67 K 9.07 4.12 0.00 1.70 1.32 0.00 1.68 0.00 0.00 0.98 0.00 0.00 2.52 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.30 1.00 7.81 68 S 9.82 3.85 0.00 4.22 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 69 G 8.62 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 0.00 0.00 0.00 70 M 7.93 4.77 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 71 I 8.59 4.95 1.84 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 1.23 1.02 0.77 0.00 0.00 72 L 9.03 5.29 0.00 1.74 1.66 1.28 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 73 C 8.61 4.71 0.00 3.14 3.09 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 74 R 8.87 3.69 0.00 2.14 2.08 0.00 3.31 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 75 N 8.10 4.31 0.00 2.77 2.84 0.00 0.00 7.12 8.08 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 76 D 8.04 4.39 0.00 2.71 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 77 Y 8.19 4.14 0.00 2.89 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.77 3.18 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.19 0.75 0.00 0.00 79 R 7.58 3.72 0.00 1.84 1.98 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 80 L 7.62 3.86 0.00 1.19 0.64 0.84 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 81 F 7.63 4.64 0.00 2.28 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.87 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.36 4.65 0.00 2.64 2.77 0.00 0.00 6.59 7.25 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 84 S 8.53 4.55 0.00 3.99 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 85 G 8.64 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 0.00 0.00 0.00 0.00 86 A 8.25 5.10 1.13 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 0.00 0.00 87 C 8.86 4.27 0.00 2.78 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 88 S 8.51 3.98 0.00 3.19 3.86 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 89 A 8.25 4.26 1.50 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 0.00 0.00 0.00 90 C 8.21 4.44 0.00 3.14 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 91 G 8.46 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 92 Q 7.38 4.54 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 93 S 8.69 4.64 0.00 3.84 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 94 I 8.64 4.60 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.75 0.87 0.00 0.00 95 P 0.00 4.68 0.00 2.03 1.91 0.00 3.74 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 2.09 2.06 0.00 96 A 8.78 4.03 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 97 S 7.84 4.36 0.00 3.96 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 98 E 8.01 4.41 0.00 2.08 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 2.28 2.29 0.00 99 L 8.40 4.75 0.00 1.56 1.55 0.91 0.86 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 0.00 100 V 9.05 4.66 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 0.72 0.00 0.00 0.89 0.00 0.00 101 M 8.55 4.43 0.00 0.51 1.05 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.40 0.00 102 R 8.00 5.28 0.00 1.61 1.79 0.00 3.20 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 103 A 9.25 4.66 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 0.00 0.00 104 Q 9.79 3.26 0.00 1.41 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.04 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 105 G 8.40 3.87 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 0.00 0.00 0.00 106 N 8.29 4.94 0.00 2.67 2.37 0.00 0.00 6.77 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 0.00 107 V 7.71 4.86 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 0.72 0.00 0.00 0.83 0.00 0.00 108 Y 8.92 5.02 0.00 2.92 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 0.00 109 H 8.88 4.60 0.00 3.33 3.25 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.81 3.97 0.00 1.76 1.75 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.01 4.34 0.00 1.76 1.86 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 112 C 8.11 4.48 0.00 3.30 3.16 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 0.00 113 F 7.86 4.29 0.00 3.08 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 0.00 114 T 6.98 4.90 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 1.16 0.00 0.00 115 C 8.64 4.20 0.00 2.89 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 0.00 116 S 9.06 3.98 0.00 2.94 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 0.00 117 T 7.70 4.27 4.55 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 0.00 0.00 1.27 0.00 0.00 118 C 7.75 4.28 0.00 3.16 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 0.00 119 R 8.06 4.11 0.00 2.01 2.17 0.00 3.16 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 120 N 7.75 4.43 0.00 2.71 2.73 0.00 0.00 6.74 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 0.00 121 R 8.47 4.44 0.00 1.82 1.84 0.00 3.24 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 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0.00 0.00 0.00 1.07 0.38 0.86 0.00 0.00 *298 G 8.55 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 0.00 0.00 0.00 299 G 7.99 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 0.00 300 D 7.95 4.33 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 301 V 8.28 3.80 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 0.69 0.00 0.00 0.91 0.00 0.00 302 M 8.80 4.71 0.00 1.49 0.64 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 303 V 8.12 4.97 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 0.84 0.00 0.00 0.96 0.00 0.00 304 V 9.20 3.92 2.31 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 0.95 0.00 0.00 0.92 0.00 0.00 305 G 8.62 4.36 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 0.00 306 E 8.54 4.22 0.00 1.96 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 2.31 2.27 0.00 307 P 0.00 4.74 0.00 1.89 1.92 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 308 T 8.41 4.78 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 0.00 309 L 8.38 4.50 0.00 1.65 1.63 0.96 0.77 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 0.00 310 M 8.72 3.95 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.73 0.00 311 G 7.96 3.80 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 0.00 0.00 0.00 312 G 7.51 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 0.00 313 E 8.67 4.33 0.00 1.99 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 2.30 2.30 0.00 314 F 7.88 5.04 0.00 3.16 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 0.00 315 G 9.02 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 0.00 316 D 8.35 5.05 0.00 2.99 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 0.00 317 E 8.36 4.02 0.00 2.16 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 0.00 2.44 2.33 0.00 318 D 8.02 4.71 0.00 2.68 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 0.00 319 E 7.66 3.57 0.00 1.63 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.47 0.00 320 R 8.53 4.41 0.00 1.49 1.66 0.00 3.26 0.00 0.00 3.06 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 321 L 8.54 4.42 0.00 1.49 1.56 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 322 I 8.25 4.56 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.42 0.87 0.00 0.00 323 T 8.84 4.61 4.38 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 1.25 0.00 0.00 324 R 8.67 4.82 0.00 1.73 1.92 0.00 3.32 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 325 L 9.13 4.96 0.00 1.70 1.63 1.12 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 326 E 8.72 4.83 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 327 N 9.03 4.61 0.00 2.84 2.62 0.00 0.00 7.05 8.19 0.00 0.00 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.