NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4457 8.1927 115.4127 57.7241 64.3736 174.2340 5 E 3.8131 8.8366 122.8994 58.5208 29.7944 176.8463 6 L 3.8750 8.6060 120.7004 57.9811 43.4323 177.1036 7 E 3.9936 8.4374 119.6409 59.2823 29.8144 179.3555 8 K 4.1008 7.8257 115.0141 57.3592 31.8832 178.4920 *10 L 4.3371 7.8713 120.5295 54.4628 43.3023 177.7997 11 K 4.2560 8.1504 116.1301 55.9972 32.0121 177.2287 12 G 4.0331 8.2446 106.3247 45.2498 0.0000 173.3860 13 E 4.6749 8.2914 118.4440 54.2673 31.5457 175.8615 14 H 4.4325 8.4857 117.8809 56.3534 29.3241 174.6195 15 F 4.9742 7.7267 115.3602 56.2259 40.6034 173.2186 16 D 4.7117 8.9873 121.1245 52.4017 40.5052 177.1047 17 G 4.0058 8.8338 116.6619 48.2761 0.0000 173.2526 18 A 4.3054 8.0253 121.5312 53.8513 18.8950 178.4428 19 S 4.2096 8.1191 111.0249 58.4365 63.9073 174.7893 20 A 4.6719 8.9083 131.5011 54.7545 18.2338 179.8430 21 E 4.0003 8.1659 115.6404 59.7841 29.6719 179.3922 22 I 3.7975 7.7242 120.3783 64.0249 37.3961 178.1375 23 E 4.0591 8.7555 119.7215 59.3601 29.4290 179.2555 24 A 4.0366 9.1150 121.9425 55.0349 18.4402 179.4617 25 L 3.9688 8.2065 118.9434 58.3645 42.1987 179.1604 26 R 4.0909 8.2109 119.9939 59.0145 30.0750 178.7044 27 S 4.1274 8.2779 115.1017 61.4642 62.7639 176.4482 28 Q 3.9480 8.1215 121.9085 58.9537 28.7518 178.0816 29 A 4.0286 8.1616 122.0329 55.0161 18.5155 179.3700 30 G 3.8211 8.0802 104.4158 48.2725 0.0000 175.5422 31 R 3.8718 7.8301 121.1372 58.9707 30.1409 178.6568 32 L 3.9369 8.0133 118.6949 57.4594 41.5863 179.2223 33 K 3.8423 8.6796 120.1010 59.6895 31.8987 178.6107 34 L 4.1237 7.5267 118.9008 58.0059 41.8659 178.4270 35 E 4.1119 8.2119 118.8092 59.3222 29.3472 179.3570 36 I 3.7190 7.8690 119.8804 64.4925 37.0284 178.1821 37 N 4.5928 8.5880 115.6819 55.0225 38.4007 175.7671 38 Q 4.5723 7.3793 116.7401 55.2801 29.9404 175.5386 39 S 4.3407 7.6427 113.2876 58.1617 62.8757 173.8205 40 L 4.3837 8.4119 125.0878 54.7552 42.2017 176.3619 41 D 4.6925 7.7568 119.5720 52.4421 41.8487 175.7918 42 E 3.9173 8.8024 128.4431 59.6417 29.5380 178.5122 43 A 4.0328 8.0945 120.1106 55.0402 18.3143 179.2792 44 E 3.8921 8.3382 117.5302 59.2772 29.8364 178.9706 45 R 3.8635 8.3304 118.5392 59.4119 30.1839 178.0823 46 Y 4.0169 8.2990 119.1730 60.8922 37.9767 178.1161 47 A 3.9664 8.3840 121.6305 55.3488 18.5175 179.6656 48 L 4.1446 8.1793 117.4715 57.7823 41.5555 179.7223 49 Q 3.5129 8.3156 118.5911 58.6377 28.3507 178.6893 50 R 3.8397 7.5333 117.8688 58.0871 30.0562 177.5326 51 E 4.3027 6.9989 118.3076 57.1507 30.5058 177.3545 52 L 3.9177 7.5280 120.6793 56.9534 42.0758 177.0061 53 F 6.0468 6.6204 115.1975 55.4876 40.4712 176.2110 54 G 3.7808 8.9470 110.0281 49.1781 0.0000 173.9563 55 H 4.9308 7.8907 117.9423 54.8350 33.5011 172.5168 56 L 4.7797 8.0160 126.4490 53.5774 44.7180 176.0856 57 G 4.0323 8.3672 113.9898 45.0817 0.0000 172.3335 58 H 4.2299 9.0294 119.9103 56.8744 30.4313 175.6569 59 K 3.8988 8.5189 123.6741 57.6809 29.4211 174.7089 60 S 5.0435 8.0878 113.0047 57.0807 65.4331 173.5397 61 C 4.8837 8.9437 120.3297 57.9171 31.4829 173.2403 62 V 4.3407 8.2992 122.7916 61.0344 33.1100 174.5808 63 Q 4.4373 8.5769 128.5153 54.3496 29.3656 174.9350 64 P 4.4837 0.0000 0.0000 61.9844 31.9374 174.1268 65 P 4.8497 0.0000 0.0000 62.5714 33.1218 174.4199 66 F 4.9824 9.0621 123.6626 56.7187 42.0530 173.8532 67 H 4.9721 7.9406 122.4288 54.0509 31.7803 172.6462 68 C 4.7633 8.3898 116.5707 57.5680 32.5790 173.0533 69 E 4.1444 9.0459 117.8615 57.0020 30.2129 177.1497 70 F 4.7383 8.8982 114.9378 56.3128 41.9514 175.8521 71 G 4.7900 9.6515 113.1305 46.8164 0.0000 175.9060 72 K 4.3215 7.8860 119.0023 58.2958 32.6815 178.9318 73 T 4.0932 8.0209 108.7872 63.6232 70.0194 174.0009 74 I 4.7884 7.8228 124.2530 60.1504 39.0728 174.8202 75 R 5.0877 9.0587 125.7888 54.4045 33.9895 174.6521 76 I 4.7316 8.4220 123.1469 59.6478 41.0249 176.1766 77 G 4.2028 8.3990 115.8318 46.2513 0.0000 172.5453 78 D 4.9001 9.1144 120.0145 53.4994 43.3060 176.3773 79 H 4.5331 8.1329 115.3680 56.5108 27.2368 174.6941 80 T 5.1832 7.9582 114.3224 61.6723 72.2809 174.2129 81 F 5.2001 9.3553 128.1237 56.3901 42.4893 173.6790 82 I 4.8453 8.2692 126.9271 58.3560 40.0103 174.7061 83 N 4.8538 9.2618 133.5784 52.8689 39.9541 175.3190 *85 N 4.8493 8.8779 113.9667 53.0580 41.1671 172.0917 86 V 4.2314 7.9461 116.9182 62.5389 33.3213 174.9435 87 V 4.9057 8.3020 125.7269 59.9746 35.8457 173.9445 *89 L 4.6190 8.2868 120.1234 54.3047 42.7700 177.5386 90 D 5.4549 8.6027 127.0551 52.6175 39.9890 178.2198 91 G 3.5444 8.6763 110.4830 48.6498 0.0000 173.8224 92 A 4.8387 7.4660 119.7845 48.8763 22.3272 174.5400 93 P 4.5358 0.0000 0.0000 63.1244 32.9945 175.8400 94 I 4.9919 8.6147 123.3799 60.0735 40.6386 174.3792 95 T 4.9899 8.8582 124.5617 61.6986 71.2228 173.7261 96 I 4.9214 8.8016 126.8206 59.7505 41.0790 175.7389 97 G 4.3293 8.2275 114.1310 45.7037 0.0000 172.6912 98 D 4.8964 9.2299 120.1866 54.3705 42.8132 176.6141 99 H 4.9191 8.5988 116.0211 56.2768 27.0774 174.3691 100 V 4.7515 7.7563 118.2747 61.5077 33.7697 174.2901 101 L 5.4153 9.0127 127.0588 53.0932 44.7958 175.3398 102 I 5.0981 8.9686 124.6146 59.4638 40.4241 175.9794 103 G 4.3690 9.2488 114.9881 44.6447 0.0000 171.0868 104 P 4.4864 0.0000 0.0000 64.1482 31.4741 177.2903 105 S 4.4196 8.8251 115.2086 59.1814 60.6889 171.4942 106 T 4.3384 7.4255 116.7129 63.7039 69.5451 173.5348 107 Q 5.1567 8.8690 124.0360 54.1127 31.8048 174.5742 108 F 4.7787 9.3795 121.9909 56.0548 41.6684 175.2038 109 Y 5.1503 8.8496 123.0084 55.9950 38.0198 176.3664 110 T 4.1975 9.1193 113.5368 63.5185 70.1180 174.4171 111 A 4.9942 7.4964 123.7516 51.4883 20.4681 176.2184 112 S 4.4800 8.1659 114.0108 58.1046 66.7312 172.7246 113 H 5.3200 8.4232 118.4088 53.5965 32.7967 173.5695 114 S 4.3701 8.6475 114.0559 58.0234 62.9174 174.2699 115 L 4.0332 8.4292 125.8313 57.5563 41.8695 176.8597 116 D 4.4691 8.2070 119.2684 53.7998 40.8189 176.0435 117 Y 4.4620 8.8584 127.1364 60.3407 37.4386 178.5815 118 R 3.5113 7.2304 118.9571 58.1451 30.0531 177.9900 119 R 4.4252 7.8407 115.9821 55.8964 30.7237 176.8336 120 R 4.6019 7.6589 117.4948 56.1410 31.1076 177.6965 121 Q 4.1896 8.0496 116.5577 57.5711 28.4716 176.3414 122 A 4.4040 8.3790 120.7818 51.1578 19.1993 176.7926 123 W 4.0083 8.1045 116.1163 58.7685 27.3048 174.8842 124 E 4.0144 7.5316 117.2810 57.4970 29.4235 177.0538 125 T 4.9511 8.0769 118.7175 61.7499 72.5643 173.0032 126 I 4.5123 8.5981 119.6729 59.4507 39.9986 174.0845 127 C 5.1250 8.7980 123.9902 58.0344 30.3536 172.7453 128 K 4.8843 9.0073 123.2048 53.5547 34.7788 174.6088 129 P 4.7192 0.0000 0.0000 63.1104 32.9621 174.8523 130 I 4.8521 8.5688 121.6824 59.5859 40.5178 174.6817 131 V 4.7943 9.0144 126.4678 61.2036 34.4696 173.9949 132 I 4.8234 8.5852 128.7806 59.7112 39.6211 175.7466 133 E 4.8524 8.5672 126.8035 54.8698 31.4200 175.7546 134 D 4.5757 8.5448 119.6533 56.1362 41.9805 177.5634 135 D 5.1305 9.4583 119.9785 55.3650 39.0859 173.8641 136 V 4.3577 7.5416 119.2096 62.2377 33.4577 174.7471 137 W 5.3701 9.3734 135.0000 56.0034 33.0497 173.8382 138 I 4.4526 9.1660 129.8448 59.6210 38.5638 176.8616 139 G 4.1904 8.4287 115.5139 45.5430 0.0000 173.0580 140 G 3.8590 8.6727 106.3595 46.3058 0.0000 173.4930 141 N 4.2852 9.0385 118.7046 53.3023 38.3244 173.7383 142 V 4.4537 7.3164 114.7575 61.5109 33.8143 174.4150 143 V 4.2977 8.7328 126.6899 61.2252 33.5708 174.3480 144 I 4.4591 7.7989 129.3150 59.7080 38.7222 175.6418 145 N 5.1441 8.5855 125.8984 52.1809 39.7653 175.0144 146 Q 4.1339 8.6633 117.4019 57.2936 30.0335 177.4319 147 G 4.0205 8.4192 108.3560 45.9117 0.0000 173.8065 148 V 4.2548 7.1705 119.9207 62.3761 33.2900 174.8582 149 T 5.1524 9.0605 123.0166 61.8748 71.9490 172.8685 150 I 4.5271 8.8871 127.9158 59.2952 39.2108 175.8779 151 G 4.1008 9.0029 115.2718 45.9029 0.0000 172.3424 152 A 4.3606 8.8903 122.3803 52.9601 19.5922 178.0137 153 R 4.3179 8.3560 116.4747 56.5826 28.5774 176.4702 154 S 4.8975 7.4167 112.8253 57.2660 65.8377 173.2505 155 V 4.7895 9.0701 120.8011 61.1827 34.7222 174.2115 156 V 4.5939 8.2252 127.4618 60.7175 33.2341 174.9847 157 A 4.2237 8.5812 130.0243 51.2829 19.7361 176.4675 158 A 3.8846 8.3102 121.8905 54.0689 18.7007 177.4045 159 N 5.0746 8.5806 118.5923 54.2436 38.2174 174.4470 160 S 4.4388 7.5102 112.5194 58.2400 64.5280 173.4958 161 V 4.4734 8.4023 122.9966 61.3072 33.5209 174.6503 162 V 4.2264 8.8221 129.9485 62.0588 31.9553 175.9853 163 N 4.8131 8.9470 124.7265 53.3939 40.2759 174.5250 164 Q 4.7494 7.5775 114.9202 53.3788 32.9133 174.7434 165 D 4.7138 8.7791 120.2128 55.3120 41.8443 176.3938 166 V 4.4358 8.5312 121.0747 60.4152 34.0394 173.5182 167 P 4.8655 0.0000 0.0000 61.6479 32.0627 174.4588 168 P 4.4002 0.0000 0.0000 62.8697 32.6310 175.1816 169 D 4.6466 8.9036 117.6136 54.5469 39.0522 173.6243 170 T 5.0501 8.1596 113.4379 61.9622 74.0054 173.7415 171 L 4.9294 8.9716 127.4708 53.8286 43.8316 175.7600 172 V 4.8628 8.3810 119.0424 59.8935 36.0358 174.7007 173 G 4.2799 8.7200 106.5016 46.6400 0.0000 172.2815 174 G 3.8604 8.6306 107.0190 44.2232 0.0000 172.8892 175 T 4.8873 7.9281 114.5712 60.9690 70.4811 172.6432 176 P 4.7652 0.0000 0.0000 61.7708 32.8584 175.9837 177 A 4.4083 8.3427 123.2427 52.0741 18.8887 177.2700 178 R 4.7289 8.6046 117.9955 53.8442 33.2039 175.4231 179 I 4.0709 8.3425 121.2088 61.7551 37.8181 175.5592 180 L 4.6126 8.8153 124.6514 56.1102 43.7086 176.9056 181 R 4.6233 7.4717 116.2682 55.0057 33.5970 173.7734 182 S 4.6645 8.6492 119.7477 58.1721 63.0427 173.5947 183 L 4.6110 8.9512 125.9278 54.5406 42.3743 176.4763 184 K 4.3614 7.6570 118.7693 54.2110 33.1854 176.3179 185 D 4.2273 8.5767 121.8602 55.2356 41.5387 176.0356 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 4 S 8.19 4.45 0.00 4.22 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 5 E 8.84 3.81 0.00 2.05 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 2.46 2.73 0.00 6 L 8.61 3.88 0.00 1.61 1.68 0.67 1.19 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 7 E 8.44 3.99 0.00 2.00 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 2.28 2.25 0.00 8 K 7.83 4.10 0.00 2.08 1.99 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.76 7.81 *10 L 7.87 4.34 0.00 1.67 1.69 0.72 0.81 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 11 K 8.15 4.26 0.00 1.92 1.82 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.34 7.81 12 G 8.24 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.29 4.67 0.00 2.07 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 2.31 2.29 0.00 14 H 8.49 4.43 0.00 3.14 3.20 0.00 5.91 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.73 4.97 0.00 3.16 2.98 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 0.00 0.00 0.00 16 D 8.99 4.71 0.00 2.94 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 17 G 8.83 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 0.00 0.00 0.00 18 A 8.03 4.31 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.12 4.21 0.00 3.98 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 20 A 8.91 4.67 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 21 E 8.17 4.00 0.00 2.21 2.23 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 2.37 2.40 0.00 22 I 7.72 3.80 2.11 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 1.50 0.85 1.21 0.00 0.00 23 E 8.76 4.06 0.00 2.20 2.05 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 2.40 2.68 0.00 24 A 9.11 4.04 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 25 L 8.21 3.97 0.00 1.94 2.02 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.21 4.09 0.00 2.07 2.09 0.00 3.18 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.22 0.00 27 S 8.28 4.13 0.00 4.11 3.90 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 28 Q 8.12 3.95 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 29 A 8.16 4.03 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 30 G 8.08 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 31 R 7.83 3.87 0.00 1.92 2.03 0.00 3.19 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 1.61 1.66 0.00 32 L 8.01 3.94 0.00 1.87 1.59 0.88 0.62 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 33 K 8.68 3.84 0.00 2.09 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.51 7.81 34 L 7.53 4.12 0.00 1.84 1.79 0.92 1.10 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 35 E 8.21 4.11 0.00 2.04 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 2.32 2.57 0.00 36 I 7.87 3.72 1.96 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.19 0.89 0.00 0.00 37 N 8.59 4.59 0.00 2.71 2.90 0.00 0.00 6.90 7.71 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 38 Q 7.38 4.57 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 39 S 7.64 4.34 0.00 3.97 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 40 L 8.41 4.38 0.00 1.67 1.68 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.76 4.69 0.00 2.74 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 42 E 8.80 3.92 0.00 2.05 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 2.42 2.36 0.00 43 A 8.09 4.03 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 44 E 8.34 3.89 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 45 R 8.33 3.86 0.00 2.10 1.97 0.00 3.24 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 1.72 1.85 0.00 46 Y 8.30 4.02 0.00 3.08 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 47 A 8.38 3.97 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 48 L 8.18 4.14 0.00 1.65 1.62 0.89 1.14 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 49 Q 8.32 3.51 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 50 R 7.53 3.84 0.00 1.81 1.88 0.00 3.13 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.09 0.00 51 E 7.00 4.30 0.00 2.06 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 2.19 2.25 0.00 52 L 7.53 3.92 0.00 1.45 1.01 0.84 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 53 F 6.62 6.05 0.00 3.06 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 54 G 8.95 3.78 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 0.00 0.00 0.00 55 H 7.89 4.93 0.00 3.23 3.08 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.02 4.78 0.00 1.65 1.36 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.37 4.03 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 66 F 9.06 4.98 0.00 3.00 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 67 H 7.94 4.97 0.00 2.93 3.01 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.39 4.76 0.00 3.15 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 69 E 9.05 4.14 0.00 1.88 1.58 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 0.00 1.47 2.01 0.00 70 F 8.90 4.74 0.00 3.05 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 71 G 9.65 4.79 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 0.00 0.00 0.00 72 K 7.89 4.32 0.00 1.85 1.90 0.00 1.75 0.00 0.00 2.13 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.39 7.81 73 T 8.02 4.09 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 1.21 0.00 0.00 74 I 7.82 4.79 2.08 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.50 0.00 0.00 75 R 9.06 5.09 0.00 1.64 1.75 0.00 3.06 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 76 I 8.42 4.73 1.58 0.00 0.00 -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 0.81 0.79 0.74 0.00 0.00 77 G 8.40 4.20 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 0.00 78 D 9.11 4.90 0.00 2.72 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 0.00 0.00 0.00 79 H 8.13 4.53 0.00 3.04 3.26 0.00 5.56 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 80 T 7.96 5.18 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 81 F 9.36 5.20 0.00 3.12 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 82 I 8.27 4.85 1.63 0.00 0.00 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0.00 2.85 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 0.00 110 T 9.12 4.20 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 0.00 111 A 7.50 4.99 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 0.00 112 S 8.17 4.48 0.00 4.00 3.67 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 0.00 0.00 0.00 0.00 113 H 8.42 5.32 0.00 3.03 3.15 0.00 5.75 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 0.00 114 S 8.65 4.37 0.00 3.86 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 0.00 115 L 8.43 4.03 0.00 1.70 1.75 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.21 4.47 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 8.86 4.46 0.00 3.33 3.25 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 0.00 118 R 7.23 3.51 0.00 1.60 1.77 0.00 2.72 0.00 0.00 3.02 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.91 0.00 119 R 7.84 4.43 0.00 1.82 1.93 0.00 3.11 0.00 0.00 3.21 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 120 R 7.66 4.60 0.00 2.08 1.97 0.00 3.06 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 121 Q 8.05 4.19 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.47 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 122 A 8.38 4.40 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 0.00 123 W 8.10 4.01 0.00 3.48 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 0.00 124 E 7.53 4.01 0.00 2.34 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 2.22 2.28 0.00 125 T 8.08 4.95 4.10 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 1.31 0.00 0.00 126 I 8.60 4.51 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 1.39 1.38 0.84 0.00 0.00 127 C 8.80 5.13 0.00 2.92 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 0.00 128 K 9.01 4.88 0.00 1.60 1.73 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.36 7.81 129 P 0.00 4.72 0.00 2.13 2.19 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 130 I 8.57 4.85 2.01 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 1.09 0.00 0.00 131 V 9.01 4.79 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 0.96 0.00 0.00 0.95 0.00 0.00 132 I 8.59 4.82 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.46 1.00 0.00 0.00 133 E 8.57 4.85 0.00 2.00 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 2.33 2.50 0.00 134 D 8.54 4.58 0.00 2.64 2.67 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 0.00 0.00 0.00 0.00 135 D 9.46 5.13 0.00 2.88 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 0.00 136 V 7.54 4.36 2.17 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 1.15 0.00 0.00 1.07 0.00 0.00 137 W 9.37 5.37 0.00 3.34 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 0.00 138 I 9.17 4.45 1.99 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 1.14 0.58 0.84 0.00 0.00 139 G 8.43 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.67 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 0.00 0.00 0.00 141 N 9.04 4.29 0.00 2.92 2.82 0.00 0.00 6.69 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.32 4.45 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.88 0.00 0.00 143 V 8.73 4.30 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 0.62 0.00 0.00 0.87 0.00 0.00 144 I 7.80 4.46 1.39 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.31 0.85 0.00 0.00 145 N 8.59 5.14 0.00 2.81 2.83 0.00 0.00 7.10 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 0.00 146 Q 8.66 4.13 0.00 2.32 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.94 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 147 G 8.42 4.02 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 0.00 0.00 0.00 148 V 7.17 4.25 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 0.99 0.00 0.00 1.06 0.00 0.00 149 T 9.06 5.15 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 1.23 0.00 0.00 150 I 8.89 4.53 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.42 0.93 0.00 0.00 151 G 9.00 4.10 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 0.00 0.00 0.00 152 A 8.89 4.36 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 0.00 153 R 8.36 4.32 0.00 2.15 2.04 0.00 3.13 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 154 S 7.42 4.90 0.00 4.05 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 0.00 155 V 9.07 4.79 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 0.53 0.00 0.00 1.06 0.00 0.00 156 V 8.23 4.59 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.86 0.00 0.00 157 A 8.58 4.22 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 0.00 0.00 0.00 0.00 0.00 158 A 8.31 3.88 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 0.00 159 N 8.58 5.07 0.00 2.85 2.89 0.00 0.00 7.18 7.68 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 0.00 160 S 7.51 4.44 0.00 3.70 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 0.00 161 V 8.40 4.47 2.06 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 0.92 0.00 0.00 0.91 0.00 0.00 162 V 8.82 4.23 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 0.88 0.00 0.00 0.84 0.00 0.00 163 N 8.95 4.81 0.00 2.72 2.83 0.00 0.00 6.94 7.69 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 0.00 164 Q 7.58 4.75 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 165 D 8.78 4.71 0.00 2.56 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 0.00 166 V 8.53 4.44 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 1.04 0.00 0.00 0.96 0.00 0.00 167 P 0.00 4.87 0.00 1.98 1.97 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 168 P 0.00 4.40 0.00 2.08 2.13 0.00 3.92 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 2.01 0.00 169 D 8.90 4.65 0.00 2.84 2.76 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 0.00 170 T 8.16 5.05 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 0.00 171 L 8.97 4.93 0.00 1.70 1.60 0.81 0.75 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 0.00 172 V 8.38 4.86 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 0.62 0.00 0.00 0.87 0.00 0.00 173 G 8.72 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 0.00 0.00 0.00 0.00 174 G 8.63 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 0.00 0.00 0.00 175 T 7.93 4.89 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 0.00 176 P 0.00 4.77 0.00 2.06 2.05 0.00 3.76 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 1.97 1.97 0.00 177 A 8.34 4.41 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 0.00 178 R 8.60 4.73 0.00 1.85 1.99 0.00 2.76 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 179 I 8.34 4.07 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.90 0.00 0.00 180 L 8.82 4.61 0.00 1.55 1.65 0.86 0.81 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 0.00 181 R 7.47 4.62 0.00 1.84 1.69 0.00 3.17 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 182 S 8.65 4.66 0.00 3.92 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 0.00 183 L 8.95 4.61 0.00 1.53 1.70 0.97 0.92 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 0.00 184 K 7.66 4.36 0.00 1.79 1.74 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.52 7.81 185 D 8.58 4.23 0.00 2.68 2.56 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 * Residues marked with a * may have inaccurate shift predictions.