NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.6897 8.2076 120.5351 53.5938 42.7790 177.3837 7 P 4.1889 0.0000 0.0000 62.2776 30.7587 176.5386 *9 R 3.9597 8.9962 121.7813 57.3335 32.8120 178.3224 10 D 4.4248 8.2117 117.3675 57.3407 40.6904 178.6276 11 A 4.1574 8.1116 121.2954 54.9828 18.2465 179.7470 12 I 3.6049 7.6415 117.9428 64.5106 37.2768 178.3559 13 V 3.4576 7.6937 118.7750 66.2534 31.2990 177.4444 14 D 4.4245 8.5417 118.7893 57.9697 40.6329 179.3637 15 T 3.8023 7.9643 115.5212 66.6122 68.5807 176.4254 16 A 3.9113 8.5179 123.0274 55.2528 18.3129 179.9334 17 V 3.3162 7.7375 116.4823 65.8569 31.7452 177.7849 18 E 3.8223 8.2299 118.7098 59.6672 29.4606 179.2125 19 L 3.9665 8.1060 118.5983 58.0013 41.5088 179.5622 20 A 4.6773 8.1496 121.1542 54.6661 18.1146 179.0569 21 A 3.9219 7.6697 117.8302 56.1999 18.4806 179.4735 22 H 4.3502 7.8704 112.8933 57.6062 28.8929 175.9643 23 T 4.2165 7.7497 107.6256 60.8807 70.5034 175.2707 24 S 4.7019 7.8438 113.3285 57.4699 66.5224 176.5946 25 W 4.1388 8.6561 128.6054 60.6191 30.6617 177.4031 26 E 3.5862 8.5627 117.4463 59.3244 28.8804 178.1739 27 A 3.9725 7.4220 119.4423 53.9050 18.5709 177.4838 28 V 3.6387 7.9584 117.9203 62.3483 31.8685 176.0354 29 R 4.6096 8.0017 125.5473 53.9625 34.1683 176.9189 30 L 4.0353 8.3645 123.5701 58.8326 41.7192 180.0623 *31 Y 4.0130 7.8405 120.1715 62.1748 36.7059 180.1415 32 D 4.5919 7.9953 120.1773 57.2159 40.8732 178.7844 33 I 3.6224 7.4834 119.8946 64.2086 37.0310 178.0665 34 A 3.9810 8.3143 121.7336 55.2613 18.1052 179.5994 35 A 3.8901 8.3055 119.3492 55.4245 18.3081 179.7791 36 R 3.8228 8.3957 116.4368 59.2285 30.2132 177.7528 37 L 4.2885 7.9813 115.6723 53.4993 42.4340 176.1127 38 A 3.7344 8.1820 121.2616 53.4999 16.4475 176.8254 39 V 4.6006 7.9177 112.3148 60.1316 36.1738 175.9775 40 S 4.4723 8.4191 114.9743 57.5530 64.1051 174.9551 41 L 4.0622 8.6707 124.0940 58.8148 41.3682 179.1745 42 D 4.4362 8.0833 117.4370 57.2481 40.5489 178.1616 43 E 4.1984 8.7753 119.5954 59.4160 29.4736 179.2622 44 I 3.9666 7.8151 119.4040 64.5471 37.0723 178.2399 45 R 4.9554 7.8749 118.2064 57.4348 30.0050 178.3638 46 L 3.9799 7.3656 118.4555 57.8776 41.6524 178.5810 47 Y 4.0664 7.7265 114.3139 58.6660 38.5650 175.8340 48 F 5.0290 8.3434 119.5892 55.9006 41.5574 175.9115 49 R 4.3134 9.2082 125.1294 57.2520 30.3340 176.4568 50 E 4.8259 7.7875 116.1505 54.2242 34.0123 176.1018 51 K 4.0064 8.7554 122.1470 59.7814 32.9201 178.6017 52 D 4.6062 8.5943 118.5613 57.9964 40.8501 178.6366 53 E 4.1451 8.0440 117.3707 59.8064 29.3600 179.7610 54 L 3.8679 8.1249 118.9867 57.4974 41.6181 179.2467 55 I 3.7559 8.0594 119.9014 64.7288 37.0765 177.6286 56 D 4.5615 8.5111 118.7216 57.9992 40.7245 178.9540 57 A 4.1970 8.2505 120.2117 55.0314 18.2134 179.5633 58 W 4.1649 8.5169 126.9830 60.8885 30.8474 178.3980 59 F 3.8263 8.6343 117.5802 60.2172 38.2989 177.5137 60 D 4.4433 8.7139 119.2694 56.8923 40.3196 178.6830 61 R 3.7220 7.6302 118.6735 59.0840 30.3423 177.9868 62 A 3.7870 7.1078 120.4051 55.3987 18.0778 179.2478 63 D 4.3875 7.8303 115.9822 57.6315 41.0661 179.0659 64 S 4.2632 8.0301 114.5867 60.8719 63.1078 177.0896 65 R 4.1064 7.6651 119.0536 56.6629 29.4029 178.0815 *67 L 4.3184 8.0279 125.2630 55.7412 43.8554 179.5738 68 K 4.1556 8.2426 123.3064 59.6581 31.4681 180.4505 69 E 4.1406 8.3614 120.5132 59.1343 29.4688 178.6282 70 A 2.7497 7.3084 118.0042 53.0714 18.3838 177.3590 71 E 4.5550 7.3612 113.3725 55.2410 30.8516 176.4808 72 S 4.3009 8.1234 115.4805 58.0261 64.1399 175.1371 73 A 4.0549 8.8381 125.8210 55.3868 18.7510 180.1819 74 G 3.7191 8.1789 104.5406 48.5961 0.0000 175.5904 75 F 3.9743 8.5472 124.9690 61.7279 39.4232 177.6662 76 L 4.2536 7.5045 117.7203 56.2753 40.8539 179.5624 77 D 4.5064 7.7108 116.5505 57.6397 41.0415 177.1831 78 L 4.0468 7.1846 117.3148 54.5644 42.3707 177.3737 79 V 3.9226 7.7014 118.8831 61.8187 33.5533 176.5673 80 A 3.9196 8.5115 125.1577 55.8203 18.1770 179.8883 81 S 4.0762 8.0695 111.8152 61.7171 62.8994 176.0001 82 E 3.9471 8.1887 122.3334 58.7871 29.2578 179.7543 83 R 3.7424 8.3483 118.0643 59.3742 30.2426 179.0485 84 I 3.7625 7.4562 119.4781 64.8270 36.9078 178.0358 85 H 4.2190 7.9891 117.5727 59.3870 29.7013 176.5963 86 H 4.3076 8.3838 119.6813 59.2935 30.1251 176.9598 87 L 4.3971 8.2381 120.8587 57.7572 41.3640 180.1083 88 I 4.0337 7.6947 118.0750 61.7239 36.9337 178.2251 *90 I 4.1012 7.7375 122.3569 61.2789 39.3000 177.9125 91 W 4.0515 8.3871 129.4157 60.6556 30.4984 178.0734 92 L 3.3740 8.3801 119.1172 57.2640 40.6957 179.1968 93 D 4.4052 8.0159 117.7105 57.1823 41.1981 177.8410 94 A 3.9553 8.0616 121.5806 55.4914 18.3298 179.8281 95 L 3.4684 7.4187 116.6620 57.4943 41.3705 179.4566 96 A 4.4061 8.2084 120.1761 54.4467 18.3015 179.0638 97 V 3.8870 7.4391 116.1952 65.0826 32.9323 176.2396 98 Q 4.4603 8.3696 117.1454 52.6324 29.6498 175.1557 99 R 3.8179 8.4270 124.3294 60.0471 30.4385 178.1823 100 K 3.8936 7.8513 122.6584 59.6446 31.3658 181.0541 101 V 3.7625 7.4512 117.5409 66.2599 31.6795 177.5164 102 T 3.8934 7.5056 114.0648 66.7704 68.4525 175.8380 103 R 3.9898 8.0259 119.0999 59.4831 30.1718 180.5980 104 Q 4.1661 7.5309 116.2664 55.6240 29.0407 177.0097 *106 I 3.9661 7.7124 118.0092 61.4715 38.9158 178.0975 *108 S 4.4530 8.2812 115.0370 58.4781 64.0250 174.8550 109 K 4.4214 7.4931 120.2930 54.8997 30.1946 175.7278 110 L 4.7700 7.1725 123.3693 54.3309 45.9433 177.2580 111 E 3.7904 8.9882 122.5233 58.7139 29.5955 176.6245 *114 H 4.6695 7.7447 115.9540 55.1072 29.5434 177.4014 115 I 3.9136 7.6767 128.9834 66.1802 35.6987 179.7373 *116 H 4.4798 8.2517 121.8450 60.3056 27.8349 179.8932 117 I 4.1979 7.9014 125.0235 65.6513 35.2442 180.7334 118 Q 4.2746 8.1448 122.5883 60.0572 27.7066 180.5093 119 I 3.9144 7.4724 119.5188 63.3577 38.1014 175.9116 120 P 4.3784 0.0000 0.0000 65.7294 31.3827 177.9594 121 A 4.1281 7.7487 120.2274 54.7977 18.4198 179.7896 122 V 3.4475 7.2885 115.8472 64.1012 32.3786 177.6249 *124 R 4.1412 7.9214 118.0476 55.9370 31.9085 177.2693 125 V 3.5631 8.1465 117.3733 66.3231 31.3222 178.0738 126 S 4.0195 7.8707 114.0966 61.6771 62.7465 176.6266 127 R 3.9022 7.9393 120.7188 59.7322 29.7495 178.4110 128 T 3.6526 7.9701 115.5470 66.6546 68.4559 176.7220 129 V 3.2269 7.8450 120.3568 66.0811 31.5017 177.9818 130 Q 4.0497 8.4004 117.8888 58.0263 28.5219 178.3231 131 W 3.8619 8.5156 130.3236 60.2930 30.8955 178.3059 132 V 3.4834 8.3344 118.7684 65.7424 30.7115 177.9710 133 R 3.7833 7.4136 117.0473 59.6097 30.2808 178.1316 134 E 3.9539 8.0221 118.0904 59.2085 29.1698 179.2063 135 A 3.6162 7.3555 119.7587 54.3725 18.2716 178.6334 136 A 4.3948 7.6072 118.8880 52.6576 18.5982 177.4170 137 Q 4.6686 7.1653 118.5411 54.6176 31.4778 181.5893 138 R 4.4623 8.1524 110.7449 58.4685 33.6604 176.2090 *146 A 4.4292 7.6583 119.4820 52.9188 18.9935 176.3598 147 L 4.7345 8.0619 114.5872 52.9399 46.0889 176.2928 148 E 4.1384 8.6044 121.5711 55.9992 31.2958 177.8371 149 E 3.9360 8.9051 123.4207 59.9812 29.5889 180.1640 150 S 4.1489 8.0323 113.3124 61.6309 63.0967 176.4175 151 T 3.8677 7.6922 118.9169 66.4545 68.3178 176.0692 152 L 4.0704 8.1404 122.1977 58.6247 41.9638 179.4324 153 T 3.9140 8.0733 115.6041 67.0858 68.2515 176.9019 154 T 4.0498 8.3037 116.5451 66.6279 68.4512 176.5527 155 I 3.9826 8.1080 121.6021 64.3965 37.4590 177.5059 156 Y 4.3910 8.3534 120.6874 60.5956 38.6899 177.7452 157 L 3.9272 8.3617 117.1215 56.7760 41.8940 178.8636 *159 T 4.3357 7.7578 117.5237 63.7828 70.5025 175.8476 160 F 4.4361 8.3492 121.7064 61.7124 39.4369 176.9157 161 F 3.8049 8.3658 115.8650 60.2922 38.7432 177.1709 162 F 4.1498 8.2602 119.0636 60.6009 39.8292 178.2665 163 W 5.0619 9.1562 134.4016 56.8690 29.9884 177.3997 *165 R 3.6889 7.7939 112.0588 55.4109 30.7010 177.4439 166 D 4.3206 7.1634 119.9144 54.0425 39.9617 175.9225 167 E 4.1391 8.3214 125.2910 56.5917 29.9894 177.5817 168 S 4.3557 8.2538 115.3028 57.4805 64.0877 173.1942 169 E 4.0231 8.4808 119.5719 57.1712 30.0386 176.7637 170 N 4.1033 9.2331 119.4396 53.4676 37.8612 173.5040 171 S 3.9103 7.8426 113.5056 60.0017 61.4877 175.5326 172 R 4.0210 8.0179 123.0388 62.2659 29.0821 179.5889 173 H 4.6226 8.2866 116.8904 59.0354 28.9072 177.9933 174 T 4.2022 8.6346 117.4973 66.8955 68.3752 176.5954 175 R 4.0834 8.2871 119.7964 59.5497 30.1265 178.8814 176 Q 3.9954 8.3098 119.0348 59.1021 29.1625 177.8147 177 F 3.9946 8.5586 121.9617 61.3642 39.3683 176.9061 178 L 3.9705 8.6176 120.1992 57.9742 41.9299 178.6560 179 K 3.8023 8.2627 119.6265 59.5534 31.8533 178.9977 180 R 3.6700 7.7667 117.0176 59.6680 30.1220 178.5129 181 H 3.9989 7.4704 114.2205 58.6596 28.8584 177.6494 182 L 4.1207 7.8561 120.8999 57.8448 41.3917 179.5194 183 T 3.2675 7.5131 111.8396 64.1337 67.7858 175.9407 *185 A 4.1234 7.9278 125.8952 52.2547 20.2713 179.2709 186 A 3.9955 7.5163 117.2865 55.2592 18.6668 178.6351 187 W 4.7390 7.8704 114.7110 59.6833 29.4952 176.7267 188 L 4.3144 7.5208 120.8736 54.8768 41.1498 176.3147 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 6 D 8.21 4.69 0.00 2.74 2.77 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 7 P 0.00 4.19 0.00 2.29 2.27 0.00 3.74 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 2.02 0.00 *9 R 9.00 3.96 0.00 1.88 2.16 0.00 3.38 0.00 0.00 3.47 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 10 D 8.21 4.42 0.00 2.90 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 11 A 8.11 4.16 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 12 I 7.64 3.60 2.25 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.72 0.88 0.00 0.00 13 V 7.69 3.46 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 1.31 0.00 0.00 1.05 0.00 0.00 14 D 8.54 4.42 0.00 2.84 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 15 T 7.96 3.80 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 1.19 0.00 0.00 16 A 8.52 3.91 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 17 V 7.74 3.32 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 0.78 0.00 0.00 -0.21 0.00 0.00 18 E 8.23 3.82 0.00 2.08 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 0.00 2.29 2.32 0.00 19 L 8.11 3.97 0.00 1.79 1.71 0.89 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.15 4.68 1.51 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 0.00 0.00 0.00 21 A 7.67 3.92 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 22 H 7.87 4.35 0.00 3.17 3.34 0.00 5.61 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.75 4.22 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 1.21 0.00 0.00 24 S 7.84 4.70 0.00 4.01 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 25 W 8.66 4.14 0.00 3.37 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.56 3.59 0.00 1.98 1.99 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 2.23 2.33 0.00 27 A 7.42 3.97 1.21 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 28 V 7.96 3.64 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 0.51 0.00 0.00 0.86 0.00 0.00 29 R 8.00 4.61 0.00 1.89 1.71 0.00 3.27 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 30 L 8.36 4.04 0.00 1.64 1.73 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *31 Y 7.84 4.01 0.00 2.32 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 0.00 0.00 0.00 0.00 32 D 8.00 4.59 0.00 2.83 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 33 I 7.48 3.62 2.02 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 1.40 0.82 0.90 0.00 0.00 34 A 8.31 3.98 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 35 A 8.31 3.89 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 36 R 8.40 3.82 0.00 2.04 2.01 0.00 3.41 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 37 L 7.98 4.29 0.00 1.77 1.69 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.18 3.73 1.33 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 0.00 0.00 39 V 7.92 4.60 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 0.84 0.00 0.00 0.96 0.00 0.00 40 S 8.42 4.47 0.00 4.02 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 41 L 8.67 4.06 0.00 1.79 1.74 0.95 1.25 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 42 D 8.08 4.44 0.00 2.70 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 43 E 8.78 4.20 0.00 2.23 2.09 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 2.41 2.39 0.00 44 I 7.82 3.97 2.08 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.02 1.08 0.00 0.00 45 R 7.87 4.96 0.00 1.83 2.01 0.00 3.17 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.72 0.00 46 L 7.37 3.98 0.00 1.51 1.20 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.73 4.07 0.00 3.06 2.46 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 48 F 8.34 5.03 0.00 3.17 2.99 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 49 R 9.21 4.31 0.00 1.84 2.01 0.00 3.11 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 50 E 7.79 4.83 0.00 2.06 1.85 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 2.33 2.33 0.00 51 K 8.76 4.01 0.00 1.72 1.81 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.13 7.81 52 D 8.59 4.61 0.00 2.83 2.84 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 53 E 8.04 4.15 0.00 2.57 2.44 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 2.48 2.52 0.00 54 L 8.12 3.87 0.00 2.07 1.69 0.89 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.06 3.76 2.12 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 1.17 0.00 0.00 56 D 8.51 4.56 0.00 3.02 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.25 4.20 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 58 W 8.52 4.16 0.00 3.33 3.10 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 59 F 8.63 3.83 0.00 3.34 3.14 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 60 D 8.71 4.44 0.00 2.91 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 61 R 7.63 3.72 0.00 1.79 1.65 0.00 2.92 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.51 0.00 62 A 7.11 3.79 0.56 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 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.83 4.39 0.00 2.74 2.51 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 0.00 64 S 8.03 4.26 0.00 4.01 4.18 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 65 R 7.67 4.11 0.00 1.92 1.95 0.00 3.28 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 *67 L 8.03 4.32 0.00 1.65 1.81 1.13 0.54 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 68 K 8.24 4.16 0.00 1.80 1.80 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.32 7.81 69 E 8.36 4.14 0.00 2.22 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 0.00 2.43 2.47 0.00 70 A 7.31 2.75 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.36 4.56 0.00 2.01 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 0.00 2.44 2.26 0.00 72 S 8.12 4.30 0.00 4.07 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 73 A 8.84 4.05 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 74 G 8.18 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 *146 A 7.66 4.43 1.21 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 0.00 147 L 8.06 4.73 0.00 1.54 1.50 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.60 4.14 0.00 1.97 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 2.39 2.34 0.00 149 E 8.91 3.94 0.00 1.99 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 2.38 2.37 0.00 150 S 8.03 4.15 0.00 4.05 4.13 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 0.00 151 T 7.69 3.87 4.39 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 1.20 0.00 0.00 152 L 8.14 4.07 0.00 1.73 1.79 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 153 T 8.07 3.91 4.39 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 1.28 0.00 0.00 154 T 8.30 4.05 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 1.26 0.00 0.00 155 I 8.11 3.98 2.04 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 1.38 0.58 0.95 0.00 0.00 156 Y 8.35 4.39 0.00 3.01 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 0.00 157 L 8.36 3.93 0.00 2.05 1.86 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 *159 T 7.76 4.34 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 1.47 0.00 0.00 160 F 8.35 4.44 0.00 2.81 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 0.00 161 F 8.37 3.80 0.00 3.15 3.14 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 0.00 162 F 8.26 4.15 0.00 2.69 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 W 9.16 5.06 0.00 3.55 3.48 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 *165 R 7.79 3.69 0.00 1.90 1.83 0.00 3.31 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 166 D 7.16 4.32 0.00 2.23 2.55 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 0.00 167 E 8.32 4.14 0.00 1.91 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 2.17 2.14 0.00 168 S 8.25 4.36 0.00 3.90 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 0.00 169 E 8.48 4.02 0.00 2.13 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 0.00 2.36 2.24 0.00 170 N 9.23 4.10 0.00 2.88 2.98 0.00 0.00 7.22 7.63 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 0.00 171 S 7.84 3.91 0.00 4.21 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 0.00 172 R 8.02 4.02 0.00 1.84 1.98 0.00 3.27 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 1.58 1.59 0.00 173 H 8.29 4.62 0.00 3.80 3.74 0.00 5.62 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 0.00 174 T 8.63 4.20 4.70 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 1.55 0.00 0.00 175 R 8.29 4.08 0.00 2.08 2.13 0.00 3.40 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 1.78 2.00 0.00 176 Q 8.31 4.00 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 177 F 8.56 3.99 0.00 2.77 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 0.00 178 L 8.62 3.97 0.00 2.06 1.99 1.06 0.33 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 0.00 179 K 8.26 3.80 0.00 1.94 1.89 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.40 7.81 180 R 7.77 3.67 0.00 1.81 1.71 0.00 3.28 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 181 H 7.47 4.00 0.00 2.79 3.18 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 7.86 4.12 0.00 1.66 1.62 0.96 0.49 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 0.00 183 T 7.51 3.27 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 *185 A 7.93 4.12 1.33 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 0.00 0.00 186 A 7.52 4.00 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 0.00 187 W 7.87 4.74 0.00 3.38 3.14 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 0.00 188 L 7.52 4.31 0.00 1.78 1.60 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.