NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.2855 8.2601 123.5822 52.0775 19.2567 175.8307 16 A 4.5607 8.1688 124.2396 49.7799 22.4420 174.0222 17 N 4.7304 8.5430 117.7094 51.7868 42.2716 174.8903 18 R 3.8421 8.5463 120.5747 60.1337 29.9653 178.0498 19 A 4.1133 8.0045 119.7680 54.9279 18.4748 179.6991 20 G 3.5040 7.9749 103.8335 47.9918 0.0000 175.6280 21 R 3.9167 8.2254 121.7736 59.3601 29.9335 178.6207 22 Q 3.9661 8.1220 117.2858 58.4977 28.6963 178.3291 23 A 3.9686 7.9321 121.7950 55.2845 18.4512 179.7678 24 R 3.8753 7.9524 116.5481 59.4805 30.0506 179.2837 25 I 3.6636 7.9503 119.7556 64.5200 37.2871 178.6042 26 V 3.5895 8.0756 118.9222 65.8586 31.1316 178.0170 27 A 4.0673 7.9265 120.5470 55.1285 18.3627 179.5578 28 I 3.6807 8.1602 118.7792 64.7084 37.0238 178.7462 29 L 4.1348 8.1799 118.7098 57.1931 41.4230 179.0044 30 S 4.4592 7.5582 112.6662 60.0342 63.6198 175.7406 31 S 4.5358 7.7642 115.5599 57.9924 63.5693 173.4398 32 A 4.6718 7.3636 123.9415 50.5367 22.1193 175.4274 33 Q 4.3819 8.5489 118.5711 54.5015 29.2278 175.7878 34 V 4.3270 8.2698 123.7284 61.2927 32.7483 176.1170 35 R 4.5993 8.9704 126.4301 56.9364 31.2547 176.8607 36 S 4.8888 7.5623 111.6287 56.2301 66.9068 175.0588 37 Q 3.9175 8.7031 121.7179 59.0997 28.5948 178.6700 38 N 4.3146 8.1641 117.2334 56.2166 38.5917 176.8529 39 E 3.9412 8.1606 120.5549 59.1546 29.7693 178.6039 40 L 3.9245 7.9940 120.2125 58.0775 42.0336 178.7363 41 A 3.9887 8.3723 120.8755 55.1255 18.3791 179.5288 42 A 3.9479 7.9005 119.0010 55.2515 17.0471 179.8754 43 L 4.0036 8.1129 117.5807 57.8812 41.6541 179.7082 44 L 4.2683 8.0160 118.7864 57.4398 41.6199 179.2067 45 A 4.2567 8.7000 122.1412 54.3205 18.0194 179.4788 46 A 4.0301 7.9273 119.8315 54.4033 18.5990 177.8881 47 E 4.5478 7.4579 111.1690 56.2033 29.8787 177.2760 48 G 3.8191 8.1803 106.4052 46.6493 0.0000 174.3910 49 I 4.0202 7.7132 121.9754 60.1880 37.0286 174.8955 50 E 4.5673 8.6498 126.1481 54.7032 30.1513 175.8160 51 V 4.5110 7.9616 116.1341 58.9835 36.1118 175.6815 52 T 4.4081 7.9492 111.8898 60.5974 71.6369 175.4774 53 Q 3.9118 8.4478 120.8268 59.0731 29.0046 177.5845 54 A 3.9704 8.0442 121.3595 55.7903 18.3980 179.5493 55 T 3.8288 7.3803 113.7019 66.8561 68.4142 176.9407 56 L 4.0288 7.8414 120.4849 57.4879 41.6045 179.2781 57 S 4.0419 8.4671 113.6437 61.6452 62.2561 176.5821 58 R 3.9411 8.0057 120.4862 59.3285 29.6968 178.7812 59 D 4.3311 8.5568 118.9919 57.4766 40.7519 178.9516 60 L 3.9519 8.2290 119.8209 57.3652 41.4905 179.0781 61 E 3.9249 8.2305 119.3887 59.4620 29.4171 178.6894 62 E 3.9590 8.0966 117.1824 59.5059 29.6590 179.1408 63 L 4.2134 8.1737 117.3829 55.1469 41.6586 177.6360 64 G 3.9076 8.0899 106.5269 46.1594 0.0000 173.6553 65 A 4.4380 8.2719 121.5651 51.8044 19.0191 178.4930 66 V 4.4648 8.9629 114.7160 59.3432 35.7939 175.4080 67 K 4.1326 8.5141 125.3810 55.3967 32.0446 175.0369 68 L 4.7551 8.6453 130.7532 53.5809 43.9181 175.2923 69 R 4.7597 8.3335 120.5689 55.3324 32.4613 175.3031 70 G 4.0039 8.2496 109.3930 44.1718 0.0000 172.5703 71 A 4.0330 8.4334 122.6657 53.3023 18.7615 177.3286 72 D 4.4059 8.7160 121.9907 55.5657 38.4615 174.4266 73 G 3.9657 8.3290 104.6886 44.9718 0.0000 176.6042 74 G 3.8233 7.7947 106.8668 46.8054 0.0000 175.8300 75 T 4.0743 8.4554 117.1683 63.6996 69.3321 175.6342 76 G 3.9958 8.5355 106.7643 44.7110 0.0000 172.3858 77 I 4.7858 7.9615 112.0389 58.7926 41.2938 174.1913 78 Y 4.7025 8.9948 122.3997 58.2407 38.4997 175.6500 79 V 4.7504 9.1331 116.5699 59.6077 36.6637 174.7037 80 V 4.5901 8.2531 122.7912 59.0928 33.0330 174.2275 81 P 4.4810 0.0000 0.0000 63.5626 33.2287 176.7059 82 E 4.0929 8.4222 120.2241 55.3766 25.4653 178.9261 *90 V 3.9638 8.2413 123.8959 62.6704 32.2920 174.8403 91 S 4.4237 8.4937 115.2270 57.7815 65.5856 174.6700 92 G 3.7440 9.1478 106.9724 46.1149 0.0000 172.3522 93 G 4.3915 7.7665 117.8141 46.4302 0.0000 175.0693 94 T 3.9637 7.7259 116.6195 64.9491 68.5075 176.6774 95 D 4.3034 7.9526 121.2656 56.1447 39.9687 178.0243 96 R 3.8251 8.0302 120.2416 59.3959 29.8281 177.6569 97 M 3.9255 7.7689 117.2443 58.7733 32.3375 178.0205 98 A 3.9767 8.2804 121.1017 54.9498 17.9728 179.5817 99 R 3.8091 8.2052 117.4864 59.7858 30.1613 178.8423 100 L 3.9859 7.9476 118.6842 57.5983 41.6386 179.3829 101 L 3.9983 8.7009 119.6053 57.8593 41.3679 179.5798 102 G 3.7623 7.9557 104.3655 47.8195 0.0000 174.5576 103 E 4.2846 7.6133 119.2454 57.2984 30.4047 176.7230 104 L 4.4649 8.6658 117.4542 54.3310 43.3933 175.6818 105 L 4.1118 7.6508 120.9581 54.5547 41.5789 176.0544 106 V 4.1062 8.9509 128.0277 65.2398 32.3297 175.9782 107 S 4.8201 7.5589 112.3038 57.7058 65.8898 173.7082 108 T 5.1501 8.1211 109.9523 60.6676 72.2146 171.8498 109 D 4.6677 8.5517 121.1008 54.5825 45.8035 173.1765 110 D 5.0309 8.2606 117.0825 53.2972 42.6227 174.8785 111 S 4.3568 9.3558 112.8751 58.5542 66.9835 174.4881 112 G 3.7532 8.3170 117.2736 47.2563 0.0000 173.7021 113 N 4.9552 8.7943 121.7904 52.2227 37.4548 173.4612 114 L 5.3304 8.1579 118.7122 53.4162 45.0408 175.2629 115 A 5.0578 8.8509 124.7916 50.3348 21.9384 175.7465 116 V 4.6938 9.0218 121.1962 61.0637 34.2783 174.3173 117 L 5.1511 9.0486 127.9600 52.9714 44.8704 175.5033 118 R 5.1487 8.9324 122.2619 54.6728 32.6254 175.2568 119 T 5.6031 8.4487 112.2592 57.8761 73.0636 171.3337 120 P 4.5230 0.0000 0.0000 61.4466 32.8623 174.5699 121 P 4.4975 0.0000 0.0000 63.8830 31.6666 177.8450 122 G 3.9701 8.4908 109.4837 46.4072 0.0000 174.8848 123 A 4.3690 7.9887 120.4149 53.2077 18.7810 179.1094 124 A 3.9370 7.7390 120.1408 55.5465 18.3702 179.5608 125 H 4.0911 8.2238 114.2399 58.8625 28.6814 177.2328 126 Y 4.3384 8.0413 120.9677 60.7463 38.7123 177.6572 127 L 3.7333 7.9853 120.9231 58.1415 42.1648 178.7982 128 A 3.9533 8.2891 121.2360 55.1078 18.2556 179.7666 129 S 4.1017 8.4561 112.9116 61.4943 62.9405 176.6354 130 A 3.9293 7.6952 124.5070 54.8096 17.8414 179.6745 131 I 3.7114 7.7434 117.7420 64.6912 37.5258 177.8342 132 D 4.5569 8.4250 120.0810 57.8032 40.4829 179.4104 133 R 4.0270 7.8762 116.6774 58.7254 30.1327 178.4731 134 A 4.0305 7.8041 119.3666 52.3325 19.4232 176.8295 135 A 3.7214 7.6810 120.0115 52.9507 16.8718 177.5979 136 L 4.1387 7.4068 121.6090 54.0006 42.7607 177.6819 137 P 4.2811 0.0000 0.0000 65.3016 31.6321 177.1392 138 Q 4.2975 8.0006 115.2004 55.6656 29.0504 174.3901 139 V 4.6601 7.3868 119.4774 61.2472 32.1602 175.8026 140 V 3.7759 9.1802 129.8237 65.2205 32.2178 175.8333 141 G 4.2095 7.3514 106.1741 46.2939 0.0000 171.9742 142 T 5.3748 8.4755 108.9753 59.8991 72.3918 173.3969 143 I 4.6751 8.6165 122.6186 59.5690 40.9629 174.1010 144 A 5.0670 8.7227 128.3092 49.5034 21.3418 174.2998 145 G 4.0076 9.0336 109.5375 45.7320 0.0000 173.5001 146 D 4.7507 9.2419 123.4261 55.1165 42.6774 176.1359 147 D 5.1879 7.8347 114.8447 51.8769 41.3582 174.7092 148 T 5.2073 7.7126 114.6477 62.3369 73.4143 172.7023 149 I 4.9745 8.6127 124.8044 59.5498 41.3865 174.3494 150 L 4.8153 8.6947 127.2261 53.8731 43.3068 175.7306 151 V 4.7518 8.7206 124.4528 61.0728 34.1303 174.3376 152 V 4.5519 8.8402 128.9513 61.7905 32.6345 174.8008 153 A 4.7389 8.8767 131.1153 51.5251 19.6341 176.6639 154 R 4.1724 8.9084 123.1715 55.4751 31.3199 176.0170 155 E 4.2922 8.9168 126.3769 56.4270 30.0146 174.7869 156 P 4.7333 0.0000 0.0000 62.7088 31.7846 175.9286 157 T 3.9007 7.6573 116.1049 64.5540 69.0021 174.3629 158 T 4.6477 8.1309 115.2982 60.0176 72.5375 176.0492 159 G 3.6247 8.8399 108.0177 47.7422 0.0000 175.8294 160 A 4.2529 7.9284 123.9283 54.4765 18.3577 179.3734 161 Q 3.8491 8.1650 117.9347 59.2630 29.0899 178.0934 162 L 3.7837 7.8245 119.7490 57.9881 41.6298 179.4867 163 A 4.3035 8.6773 120.8881 55.1455 18.3149 179.8627 164 G 3.5583 8.3220 104.5072 48.1692 0.0000 175.4943 165 M 3.9365 8.5795 121.2700 58.4163 32.3065 178.3977 166 F 4.3025 8.2455 118.1714 60.6229 38.8673 177.5895 167 E 4.0844 8.4814 117.6628 59.1006 29.2250 178.7049 168 N 4.4797 7.9811 116.6930 56.5812 39.2653 176.7695 169 L 4.1596 7.8681 118.1207 56.3146 41.7990 177.6288 170 R 4.2182 7.6630 123.0930 56.9244 30.1678 175.4915 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 15 A 8.26 4.29 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 16 A 8.17 4.56 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 17 N 8.54 4.73 0.00 2.74 2.76 0.00 0.00 6.44 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 18 R 8.55 3.84 0.00 1.86 1.96 0.00 3.30 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 19 A 8.00 4.11 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 20 G 7.97 3.50 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 0.00 21 R 8.23 3.92 0.00 1.87 2.14 0.00 3.08 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 22 Q 8.12 3.97 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 23 A 7.93 3.97 1.38 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 0.00 0.00 0.00 24 R 7.95 3.88 0.00 2.04 2.00 0.00 3.30 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 25 I 7.95 3.66 2.02 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 1.37 0.78 0.87 0.00 0.00 26 V 8.08 3.59 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 1.02 0.00 0.00 1.00 0.00 0.00 27 A 7.93 4.07 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 28 I 8.16 3.68 2.01 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 1.54 1.07 0.92 0.00 0.00 29 L 8.18 4.13 0.00 1.62 1.79 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.56 4.46 0.00 4.14 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 31 S 7.76 4.54 0.00 4.01 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 32 A 7.36 4.67 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 33 Q 8.55 4.38 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 34 V 8.27 4.33 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 1.10 0.00 0.00 0.97 0.00 0.00 35 R 8.97 4.60 0.00 1.87 1.97 0.00 3.24 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 36 S 7.56 4.89 0.00 4.06 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 37 Q 8.70 3.92 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.93 0.00 0.00 0.00 0.00 0.00 2.16 2.38 0.00 38 N 8.16 4.31 0.00 2.82 2.87 0.00 0.00 6.79 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 39 E 8.16 3.94 0.00 2.10 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 0.00 2.33 2.33 0.00 40 L 7.99 3.92 0.00 1.74 1.76 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.37 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.90 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.11 4.00 0.00 1.87 1.75 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.02 4.27 0.00 1.84 1.83 0.90 0.70 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 45 A 8.70 4.26 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.93 4.03 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 47 E 7.46 4.55 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 48 G 8.18 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 0.00 0.00 0.00 49 I 7.71 4.02 1.99 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 1.30 1.16 0.91 0.00 0.00 50 E 8.65 4.57 0.00 1.93 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 2.22 2.30 0.00 51 V 7.96 4.51 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 0.76 0.00 0.00 0.91 0.00 0.00 52 T 7.95 4.41 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 1.21 0.00 0.00 53 Q 8.45 3.91 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 54 A 8.04 3.97 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 55 T 7.38 3.83 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 1.23 0.00 0.00 56 L 7.84 4.03 0.00 1.79 1.61 0.90 0.54 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 57 S 8.47 4.04 0.00 3.97 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 58 R 8.01 3.94 0.00 2.05 1.95 0.00 3.29 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 59 D 8.56 4.33 0.00 2.72 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 60 L 8.23 3.95 0.00 1.59 1.66 0.32 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.23 3.92 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 2.32 2.37 0.00 62 E 8.10 3.96 0.00 2.08 2.00 0.00 0.00 0.00 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 2.59 0.00 63 L 8.17 4.21 0.00 1.86 1.74 0.98 1.20 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 64 G 8.09 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.27 4.44 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 66 V 8.96 4.46 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 0.75 0.00 0.00 1.00 0.00 0.00 67 K 8.51 4.13 0.00 1.17 1.48 0.00 1.36 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.02 0.42 7.81 68 L 8.65 4.76 0.00 1.71 1.46 0.91 0.95 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 69 R 8.33 4.76 0.00 1.92 1.78 0.00 3.10 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 70 G 8.25 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 71 A 8.43 4.03 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.72 4.41 0.00 2.82 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 73 G 8.33 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 74 G 7.79 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 0.00 0.00 0.00 75 T 8.46 4.07 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 1.18 0.00 0.00 76 G 8.54 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 77 I 7.96 4.79 1.97 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 1.21 1.03 0.91 0.00 0.00 78 Y 8.99 4.70 0.00 2.87 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 79 V 9.13 4.75 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 0.84 0.00 0.00 0.95 0.00 0.00 80 V 8.25 4.59 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 0.78 0.00 0.00 0.95 0.00 0.00 81 P 0.00 4.48 0.00 2.07 2.03 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 82 E 8.42 4.09 0.00 2.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 *90 V 8.24 3.96 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 0.72 0.00 0.00 1.00 0.00 0.00 91 S 8.49 4.42 0.00 3.84 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.15 3.74 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 0.00 0.00 0.00 93 G 7.77 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 0.00 0.00 0.00 0.00 94 T 7.73 3.96 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 1.20 0.00 0.00 95 D 7.95 4.30 0.00 2.90 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 96 R 8.03 3.83 0.00 1.87 2.11 0.00 3.30 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 97 M 7.77 3.93 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 98 A 8.28 3.98 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 99 R 8.21 3.81 0.00 2.07 2.06 0.00 3.11 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 1.63 1.67 0.00 100 L 7.95 3.99 0.00 1.76 1.55 0.26 0.37 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 0.00 101 L 8.70 4.00 0.00 1.84 1.76 1.12 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.96 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 0.00 103 E 7.61 4.28 0.00 2.12 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 0.00 2.31 2.36 0.00 104 L 8.67 4.46 0.00 1.72 1.66 1.02 0.13 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 0.00 105 L 7.65 4.11 0.00 1.86 1.59 0.94 0.84 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 0.00 106 V 8.95 4.11 2.19 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 0.82 0.00 0.00 0.97 0.00 0.00 107 S 7.56 4.82 0.00 3.89 3.89 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 0.00 0.00 0.00 108 T 8.12 5.15 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 1.24 0.00 0.00 109 D 8.55 4.67 0.00 2.72 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 0.00 110 D 8.26 5.03 0.00 2.81 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 0.00 111 S 9.36 4.36 0.00 3.83 3.70 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 0.00 112 G 8.32 3.75 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 0.00 0.00 0.00 113 N 8.79 4.96 0.00 2.89 3.04 0.00 0.00 5.73 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.16 5.33 0.00 1.70 1.57 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.85 5.06 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 0.00 116 V 9.02 4.69 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 0.96 0.00 0.00 0.93 0.00 0.00 117 L 9.05 5.15 0.00 1.40 1.34 0.14 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.93 5.15 0.00 1.66 1.78 0.00 3.36 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 119 T 8.45 5.60 4.28 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 1.16 0.00 0.00 120 P 0.00 4.52 0.00 2.11 2.03 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 121 P 0.00 4.50 0.00 2.04 1.98 0.00 3.75 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 2.02 2.08 0.00 122 G 8.49 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 0.00 123 A 7.99 4.37 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 0.00 124 A 7.74 3.94 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 0.00 125 H 8.22 4.09 0.00 3.23 3.41 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.04 4.34 0.00 2.96 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 0.00 127 L 7.99 3.73 0.00 1.75 1.59 0.81 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.29 3.95 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 0.00 129 S 8.46 4.10 0.00 4.08 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 0.00 130 A 7.70 3.93 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 0.00 131 I 7.74 3.71 2.02 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.70 1.04 0.00 0.00 132 D 8.43 4.56 0.00 2.86 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 0.00 133 R 7.88 4.03 0.00 1.79 1.99 0.00 3.16 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 134 A 7.80 4.03 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 0.00 135 A 7.68 3.72 1.31 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 0.00 136 L 7.41 4.14 0.00 1.70 1.55 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.28 0.00 2.02 2.10 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 138 Q 8.00 4.30 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 139 V 7.39 4.66 2.22 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 0.81 0.00 0.00 0.98 0.00 0.00 140 V 9.18 3.78 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 0.78 0.00 0.00 0.99 0.00 0.00 141 G 7.35 4.21 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 0.00 142 T 8.48 5.37 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 1.24 0.00 0.00 143 I 8.62 4.68 1.86 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 1.16 1.26 0.90 0.00 0.00 144 A 8.72 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 9.03 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 0.00 0.00 0.00 146 D 9.24 4.75 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 7.83 5.19 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 0.00 148 T 7.71 5.21 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 1.19 0.00 0.00 149 I 8.61 4.97 1.75 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.82 0.00 0.00 150 L 8.69 4.82 0.00 1.64 1.58 0.91 0.42 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 0.00 151 V 8.72 4.75 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 1.11 0.00 0.00 0.86 0.00 0.00 152 V 8.84 4.55 2.10 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 0.84 0.00 0.00 0.94 0.00 0.00 153 A 8.88 4.74 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 0.00 154 R 8.91 4.17 0.00 1.87 1.80 0.00 3.15 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 155 E 8.92 4.29 0.00 1.99 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 2.32 2.31 0.00 156 P 0.00 4.73 0.00 2.16 2.12 0.00 3.77 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 1.92 1.96 0.00 157 T 7.66 3.90 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 158 T 8.13 4.65 4.25 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 1.21 0.00 0.00 159 G 8.84 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 0.00 160 A 7.93 4.25 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Q 8.17 3.85 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 162 L 7.82 3.78 0.00 2.00 1.84 0.86 0.98 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 0.00 163 A 8.68 4.30 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 0.00 164 G 8.32 3.56 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 0.00 165 M 8.58 3.94 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.14 0.00 166 F 8.25 4.30 0.00 3.10 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 0.00 167 E 8.48 4.08 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 168 N 7.98 4.48 0.00 2.85 2.93 0.00 0.00 7.24 7.78 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 0.00 169 L 7.87 4.16 0.00 1.72 1.73 0.85 0.73 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 0.00 170 R 7.66 4.22 0.00 2.09 1.86 0.00 3.31 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.