NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3896 8.1849 120.5792 54.0345 43.4429 176.2856 3 K 3.9212 8.4990 121.3810 56.5224 33.2343 174.1136 4 Q 4.9907 8.8536 123.1317 54.4916 30.8985 174.8191 5 V 4.7905 8.7793 122.8205 61.2348 36.1495 173.5824 6 E 5.0025 9.1501 123.2351 54.4679 33.0859 175.0995 7 I 4.9560 8.4159 124.4118 59.4053 40.9457 174.4151 8 F 5.4206 9.1143 125.0326 56.0041 42.0752 174.5126 9 T 5.3467 8.6032 111.3507 60.8746 72.3829 172.5040 10 D 4.7162 9.0874 119.8774 53.4569 45.2117 174.2922 11 G 4.5861 8.8665 111.5408 44.6028 0.0000 172.0839 12 S 4.9299 9.0763 116.8369 56.7716 66.4806 172.2243 13 C 5.1092 8.3774 123.9624 58.4173 34.0629 173.7425 14 L 4.2988 9.3379 125.4370 55.7539 41.7901 176.4127 15 G 4.1199 7.3316 105.7644 45.2584 0.0000 172.6464 16 N 5.0470 8.1641 114.3815 51.7413 38.5244 172.3325 17 P 4.6375 0.0000 0.0000 61.6065 34.0711 175.5610 18 G 3.9840 8.1907 105.8323 45.2135 0.0000 170.8180 19 P 4.8985 0.0000 0.0000 62.6270 32.5017 176.3237 20 G 4.3758 9.1056 109.7035 45.9668 0.0000 171.2630 21 G 4.6747 9.0503 106.2695 45.6626 0.0000 171.8664 22 Y 5.5529 8.3084 117.5732 55.1303 41.8784 174.8723 23 G 4.7050 9.3631 106.4673 44.9894 0.0000 171.5090 24 A 5.5322 9.4326 124.4608 50.6118 23.5261 175.0508 25 I 5.0556 9.2065 120.8455 59.4838 41.1572 174.1961 26 L 5.1002 9.4325 129.7144 53.3958 44.1395 174.8111 27 R 5.2350 9.3810 127.2680 54.7233 33.2874 173.5840 28 Y 5.1192 9.0712 127.1725 56.3279 42.1346 175.3791 29 R 3.6392 9.8358 124.1903 56.9270 28.6155 176.2482 30 G 4.0692 8.3269 107.0680 46.6237 0.0000 174.6921 31 R 4.0216 8.1985 121.1673 56.1280 30.5510 174.6735 32 E 5.3074 8.6385 124.2250 54.5509 32.5036 175.4171 33 K 4.5240 9.1264 122.3530 54.9265 35.6697 175.3080 34 T 5.0094 8.2154 120.9378 61.8896 71.0216 173.9672 35 F 5.1642 9.0039 123.1411 56.0261 43.1582 173.9928 36 S 4.9642 8.9927 114.4380 58.6538 65.5178 174.1950 37 A 4.3133 7.0852 121.1925 50.8859 22.5315 175.1753 38 G 4.3532 8.3127 107.4645 44.5644 0.0000 171.7337 39 Y 5.4094 9.3345 120.9961 55.9889 40.9559 177.0929 40 T 3.9648 8.9384 113.2781 64.5183 70.3750 174.1009 41 R 4.6155 7.9018 122.1401 55.9631 32.4086 173.5142 42 T 4.0644 8.5422 122.8517 61.4858 70.9961 172.1651 43 T 4.7884 7.8536 108.6504 58.9861 72.2013 174.0503 44 N 4.2564 8.6022 120.4165 57.0279 38.7500 176.8836 45 N 4.1825 7.8340 117.3727 56.2769 38.4655 177.4773 46 R 3.8352 7.6814 119.0258 59.3245 30.1435 178.9819 47 M 4.0380 8.0293 118.4270 58.2600 31.9622 178.6228 48 A 4.0974 8.1621 120.9859 55.0617 18.5034 179.7934 49 L 3.8152 7.6453 117.6011 58.1134 41.6318 179.2088 50 M 3.7084 8.1784 118.2634 58.4773 31.8581 177.9790 51 A 3.7027 7.9418 120.5495 55.0888 18.4958 179.5658 52 A 3.9004 7.5445 118.4532 55.1488 18.4363 179.7369 53 I 3.5186 7.6708 118.4002 64.6621 37.0052 178.7657 54 V 3.3087 7.4247 117.3584 65.7985 31.4352 177.6295 55 A 3.3910 7.3260 120.3918 54.8904 18.2614 179.6487 56 L 3.8052 7.8628 117.6469 57.8848 41.5270 179.3000 57 E 4.1227 8.1945 116.4715 58.0106 29.4758 178.2655 58 A 4.2213 7.2350 119.8586 52.3709 19.1038 177.4866 59 L 4.1095 7.2455 118.2782 54.5879 42.1965 177.0634 60 K 4.4517 8.4665 121.5050 55.9249 32.4617 175.4536 61 E 4.5791 7.4002 115.5350 54.9881 32.0293 174.2724 62 H 4.4250 8.4935 117.3471 56.4211 29.1239 174.7988 63 C 5.0226 8.9965 119.5795 57.8270 33.1251 172.3245 64 E 4.7098 9.2587 122.0699 55.0446 30.8098 174.7131 65 V 4.5718 8.5914 127.7373 61.1024 34.4391 174.2902 66 I 4.4630 8.3263 129.1749 59.9760 38.4904 174.4754 67 L 4.6006 8.1863 130.9837 53.2909 43.8102 174.8414 68 S 5.4721 8.7883 122.1974 56.1840 64.6176 172.6811 69 T 5.1201 8.5320 120.3715 60.9979 70.7279 173.2034 70 D 5.0891 8.8325 125.4258 52.5074 40.2764 176.6273 71 S 4.3384 8.2023 116.3389 58.4957 63.1092 174.4341 72 Q 3.9170 8.7909 130.5124 59.1973 28.9880 177.2515 73 Y 4.1887 8.0417 120.2780 60.7565 38.9011 178.1172 74 V 3.7309 8.1518 119.2202 65.8429 31.6121 177.8278 75 R 2.5100 7.7569 118.3712 59.0670 29.8781 178.4807 76 Q 3.5424 7.9994 118.1507 58.6362 28.5613 179.1251 77 G 3.2244 7.7893 106.6290 47.5913 0.0000 175.9244 78 I 3.5985 7.4446 121.5959 64.1257 37.3308 178.1417 79 T 4.0109 7.4163 107.4068 62.5833 68.9065 174.5996 80 Q 3.9117 7.0520 118.3522 56.6708 30.8948 176.3977 81 W 4.2392 6.6298 114.0836 55.6212 31.6642 177.1487 82 I 3.3403 7.3533 119.2659 64.3533 37.2597 177.0115 83 H 3.9212 7.8811 118.1005 59.2449 29.7481 176.7132 84 N 4.1760 7.7864 117.5939 56.0703 38.3741 176.9472 85 W 4.2862 7.7076 120.5619 59.8102 29.1293 178.3989 86 K 2.8142 7.0349 117.5155 59.3614 31.3025 179.1793 87 A 3.9547 7.3431 119.0401 54.7559 17.9872 178.8109 88 R 4.3679 7.8009 115.0298 55.3184 30.0926 176.9595 89 G 4.4860 8.1037 106.3835 46.7134 0.0000 173.9306 90 W 3.6143 8.2060 115.8939 57.5643 27.2604 174.3755 91 K 5.0234 7.4240 114.6406 54.4905 35.6048 176.5546 92 T 4.2128 9.0390 112.2871 60.4883 70.0074 175.5163 93 A 3.9745 8.6449 124.4044 55.2332 18.1850 178.5345 94 D 4.7483 7.8731 113.3132 54.2903 40.4042 176.1579 95 K 3.8065 7.7330 114.1762 59.0484 30.5487 175.3154 96 K 4.7254 7.8681 116.4481 53.6148 35.7486 175.6080 97 P 4.7625 0.0000 0.0000 62.8575 31.7397 176.9463 98 V 3.6540 8.1930 117.4209 60.7200 32.7659 175.9242 99 K 3.9580 8.3765 124.0587 57.8964 32.7819 176.0630 100 N 4.4330 9.0117 120.7305 54.0383 36.5078 176.8490 101 V 3.6172 7.5460 121.0544 65.0986 30.8079 176.9731 102 D 4.2127 8.0154 119.0873 56.3457 39.0596 178.5816 103 L 3.9835 7.7041 119.8036 57.0050 41.7634 179.1681 104 W 4.4122 8.2109 118.9688 59.9028 28.9811 178.6488 105 Q 3.1424 7.8768 118.1072 58.6128 28.0318 178.7299 106 R 3.8527 7.5876 119.9401 59.2068 30.0144 178.3701 107 L 4.0223 8.4328 120.7997 58.0686 42.1207 178.3693 108 D 4.6065 8.8259 118.3580 57.2563 40.9771 178.1697 109 A 4.0189 8.0620 120.2152 55.2069 18.8612 179.1037 110 A 4.0957 8.0398 119.3351 55.3245 18.4302 179.8635 111 L 4.1051 8.5520 118.0604 57.8909 41.5727 179.8070 112 G 3.8166 8.0687 103.8695 47.0386 0.0000 175.1053 113 Q 4.2237 7.6668 118.9003 57.3086 28.9973 174.7234 114 H 4.9634 7.5906 115.1356 53.9728 33.5037 173.3806 115 Q 4.3479 8.9199 121.2152 55.1389 29.0338 173.8821 116 I 4.3248 8.0262 126.7730 60.0141 38.8241 175.6289 117 K 4.3469 8.8207 127.8666 54.0866 34.1734 174.8321 118 W 4.2293 8.5804 127.6244 56.3038 30.1722 175.8994 119 E 4.2890 9.0999 126.1089 53.9835 30.8927 174.2868 120 W 5.2195 8.2738 127.0589 56.4837 29.5542 176.4479 121 V 4.3659 8.8036 118.5845 59.8966 33.7809 175.9482 122 K 4.5259 8.5860 123.6277 55.6942 30.8483 176.1753 123 G 3.8366 8.2791 105.9590 46.2822 0.0000 171.3954 *126 G 3.8848 7.6358 107.3040 47.1162 0.0000 170.0271 127 H 4.7560 8.8073 119.3448 55.8909 36.4661 174.5368 128 P 4.2096 0.0000 0.0000 66.7913 31.0849 178.0793 129 E 3.7499 7.5628 116.3509 59.3334 29.5444 179.1803 130 N 4.4384 7.9304 116.0822 56.4987 38.7266 177.0605 131 E 3.9995 9.1886 121.0021 59.4808 29.5348 179.4684 132 R 3.9296 7.8925 118.2719 59.5216 29.9904 178.4085 133 C 4.2707 8.1441 116.8253 62.5987 28.0835 175.4579 134 N 4.8042 8.1937 120.1294 56.2153 38.4045 176.8846 135 E 3.9812 8.1468 120.1882 59.1821 29.5674 179.2167 136 L 3.9475 7.9795 118.8653 57.6579 41.6624 179.3915 137 A 4.0653 8.3259 120.9575 55.3624 18.5092 179.9387 138 R 3.8548 8.2708 116.5060 59.3150 29.8991 179.1555 139 A 3.9859 8.0940 119.6215 55.0407 18.6452 179.2639 140 A 3.9878 8.1474 119.0544 55.2844 18.2710 179.7334 141 A 4.2491 7.9901 118.0805 55.2183 18.4903 178.8636 142 M 4.3214 7.5812 114.3868 55.8174 33.5080 176.1686 143 N 4.9818 8.2337 118.1297 51.4910 39.4009 172.7950 144 P 4.3485 0.0000 0.0000 63.2337 32.3409 176.7817 145 T 4.5055 8.3749 110.2692 60.7902 70.2390 173.3905 146 L 4.7520 7.2559 121.3405 52.8446 45.4176 174.4248 147 E 4.8805 8.5014 120.6145 54.7956 31.3213 176.0634 148 D 4.8140 8.5591 126.0075 52.8701 39.7917 176.4980 149 T 4.0228 8.3052 114.3730 63.4317 69.1126 176.2333 150 G 3.8028 7.6654 108.7617 45.6382 0.0000 173.1205 151 Y 4.2242 7.8836 122.2348 57.0860 38.7471 175.1001 152 Q 3.9072 8.1886 127.4446 54.4006 28.2451 175.9163 153 V 2.8730 7.7734 122.7417 63.5821 31.5586 175.6414 154 E 4.2837 8.3740 125.5933 55.4940 30.2553 176.6086 155 V 3.7130 7.7887 117.3483 61.8717 31.8852 172.9585 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 2 L 8.18 4.39 0.00 1.52 1.65 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.50 3.92 0.00 1.62 1.41 0.00 0.84 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.45 1.68 7.81 4 Q 8.85 4.99 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 5 V 8.78 4.79 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 1.02 0.00 0.00 0.78 0.00 0.00 6 E 9.15 5.00 0.00 1.92 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 2.13 2.25 0.00 7 I 8.42 4.96 1.61 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 1.17 0.74 0.82 0.00 0.00 8 F 9.11 5.42 0.00 3.02 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 9 T 8.60 5.35 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 10 D 9.09 4.72 0.00 2.86 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.87 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.08 4.93 0.00 3.89 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 13 C 8.38 5.11 0.00 2.97 2.69 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 14 L 9.34 4.30 0.00 1.69 1.69 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.33 4.12 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 0.00 16 N 8.16 5.05 0.00 2.64 2.67 0.00 0.00 6.86 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 17 P 0.00 4.64 0.00 1.99 1.84 0.00 3.93 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 18 G 8.19 3.98 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 0.00 0.00 0.00 19 P 0.00 4.90 0.00 2.09 2.00 0.00 3.89 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 2.12 2.09 0.00 20 G 9.11 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 0.00 0.00 0.00 0.00 21 G 9.05 4.67 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 0.00 0.00 0.00 22 Y 8.31 5.55 0.00 3.12 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 23 G 9.36 4.71 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 0.00 0.00 0.00 24 A 9.43 5.53 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 9.21 5.06 2.16 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 1.20 0.82 1.06 0.00 0.00 26 L 9.43 5.10 0.00 1.99 1.93 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.38 5.24 0.00 2.01 1.90 0.00 3.22 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 1.59 1.60 0.00 28 Y 9.07 5.12 0.00 2.94 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 29 R 9.84 3.64 0.00 1.70 1.10 0.00 2.21 0.00 0.00 2.57 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.19 0.00 30 G 8.33 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.20 4.02 0.00 1.79 1.97 0.00 3.07 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 32 E 8.64 5.31 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 33 K 9.13 4.52 0.00 1.69 1.40 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.38 7.81 34 T 8.22 5.01 4.12 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 1.19 0.00 0.00 35 F 9.00 5.16 0.00 3.10 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 36 S 8.99 4.96 0.00 3.76 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 37 A 7.09 4.31 0.97 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 38 G 8.31 4.35 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 0.00 39 Y 9.33 5.41 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.94 3.96 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 1.22 0.00 0.00 41 R 7.90 4.62 0.00 1.84 1.92 0.00 3.33 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 42 T 8.54 4.06 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 1.21 0.00 0.00 43 T 7.85 4.79 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 0.84 0.00 0.00 44 N 8.60 4.26 0.00 2.74 2.81 0.00 0.00 6.94 6.71 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 45 N 7.83 4.18 0.00 2.29 1.42 0.00 0.00 7.16 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 46 R 7.68 3.84 0.00 1.83 1.80 0.00 3.39 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 47 M 8.03 4.04 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.78 0.00 48 A 8.16 4.10 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 0.00 0.00 0.00 0.00 0.00 49 L 7.65 3.82 0.00 1.63 1.44 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.18 3.71 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.47 0.00 51 A 7.94 3.70 1.56 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 52 A 7.54 3.90 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 53 I 7.67 3.52 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.73 0.82 0.00 0.00 54 V 7.42 3.31 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.64 0.00 0.00 55 A 7.33 3.39 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 56 L 7.86 3.81 0.00 1.79 1.67 0.83 0.74 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 E 8.19 4.12 0.00 1.83 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 0.00 2.30 2.41 0.00 58 A 7.23 4.22 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 59 L 7.25 4.11 0.00 1.72 1.54 0.50 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.47 4.45 0.00 1.70 1.80 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.35 7.81 61 E 7.40 4.58 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 62 H 8.49 4.43 0.00 3.05 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.00 5.02 0.00 2.66 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 64 E 9.26 4.71 0.00 1.96 1.78 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 2.17 2.19 0.00 65 V 8.59 4.57 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.76 0.00 0.00 66 I 8.33 4.46 1.68 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.37 0.76 0.00 0.00 67 L 8.19 4.60 0.00 0.92 0.68 -0.08 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.79 5.47 0.00 3.92 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 69 T 8.53 5.12 4.52 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 1.74 0.00 0.00 70 D 8.83 5.09 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.20 4.34 0.00 4.09 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 72 Q 8.79 3.92 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 73 Y 8.04 4.19 0.00 3.19 3.07 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 0.00 0.00 0.00 0.00 74 V 8.15 3.73 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.06 0.00 0.00 75 R 7.76 2.51 0.00 1.22 1.47 0.00 2.43 0.00 0.00 2.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 Q 8.00 3.54 0.00 1.92 1.75 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 2.05 2.33 0.00 77 G 7.79 3.22 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 0.00 78 I 7.44 3.60 1.56 0.00 0.00 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 1.80 0.10 0.64 0.00 0.00 79 T 7.42 4.01 3.96 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 0.89 0.00 0.00 80 Q 7.05 3.91 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.77 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 81 W 6.63 4.24 0.00 1.78 1.74 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 82 I 7.35 3.34 1.82 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.41 0.93 0.00 0.00 83 H 7.88 3.92 0.00 3.21 3.15 0.00 5.93 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 84 N 7.79 4.18 0.00 2.64 2.74 0.00 0.00 7.07 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 85 W 7.71 4.29 0.00 2.90 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 86 K 7.03 2.81 0.00 1.68 1.66 0.00 2.18 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.27 7.81 87 A 7.34 3.95 1.19 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 88 R 7.80 4.37 0.00 1.83 1.92 0.00 3.26 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 1.57 1.73 0.00 89 G 8.10 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.21 3.61 0.00 3.54 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 91 K 7.42 5.02 0.00 1.58 1.72 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.63 7.81 92 T 9.04 4.21 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 1.19 0.00 0.00 93 A 8.64 3.97 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 94 D 7.87 4.75 0.00 2.78 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 95 K 7.73 3.81 0.00 1.88 1.88 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.53 7.81 96 K 7.87 4.73 0.00 1.69 1.64 0.00 1.54 0.00 0.00 1.99 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.40 7.81 97 P 0.00 4.76 0.00 1.90 1.98 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 98 V 8.19 3.65 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.57 0.00 0.00 99 K 8.38 3.96 0.00 1.72 1.83 0.00 2.04 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.44 7.81 100 N 9.01 4.43 0.00 3.26 2.90 0.00 0.00 6.83 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 0.00 101 V 7.55 3.62 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 0.75 0.00 0.00 0.81 0.00 0.00 102 D 8.02 4.21 0.00 2.82 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 0.00 103 L 7.70 3.98 0.00 1.50 1.52 0.80 0.85 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 0.00 104 W 8.21 4.41 0.00 3.33 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 0.00 105 Q 7.88 3.14 0.00 1.74 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.59 3.85 0.00 1.90 1.98 0.00 3.04 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 107 L 8.43 4.02 0.00 1.80 2.00 1.06 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.83 4.61 0.00 3.39 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 0.00 109 A 8.06 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.04 4.10 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 0.00 111 L 8.55 4.11 0.00 2.02 1.88 1.42 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.07 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 0.00 113 Q 7.67 4.22 0.00 2.14 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 114 H 7.59 4.96 0.00 2.94 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.92 4.35 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 116 I 8.03 4.32 1.71 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.80 -0.07 0.00 0.00 117 K 8.82 4.35 0.00 1.63 1.51 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.33 7.81 118 W 8.58 4.23 0.00 2.58 1.74 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 0.00 119 E 9.10 4.29 0.00 1.86 1.81 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 2.21 2.24 0.00 120 W 8.27 5.22 0.00 3.26 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.80 4.37 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 0.94 0.00 0.00 1.11 0.00 0.00 122 K 8.59 4.53 0.00 1.75 1.78 0.00 1.94 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.39 7.81 123 G 8.28 3.84 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 0.00 0.00 0.00 *126 G 7.64 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.81 4.76 0.00 3.12 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.21 0.00 2.07 1.95 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 129 E 7.56 3.75 0.00 1.16 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 1.47 2.03 0.00 130 N 7.93 4.44 0.00 2.98 2.99 0.00 0.00 7.15 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 0.00 131 E 9.19 4.00 0.00 2.02 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 2.25 2.41 0.00 132 R 7.89 3.93 0.00 1.96 2.07 0.00 3.07 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 133 C 8.14 4.27 0.00 3.32 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.19 4.80 0.00 2.99 3.02 0.00 0.00 6.95 6.93 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 0.00 135 E 8.15 3.98 0.00 2.22 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 2.54 2.48 0.00 136 L 7.98 3.95 0.00 1.92 1.73 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.33 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.27 3.85 0.00 1.87 2.00 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 139 A 8.09 3.99 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 0.00 140 A 8.15 3.99 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 0.00 141 A 7.99 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 0.00 142 M 7.58 4.32 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.88 0.00 143 N 8.23 4.98 0.00 2.54 2.63 0.00 0.00 7.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.35 0.00 2.22 2.14 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 145 T 8.37 4.51 4.17 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 1.21 0.00 0.00 146 L 7.26 4.75 0.00 0.88 1.36 0.64 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.50 4.88 0.00 1.97 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 2.30 2.36 0.00 148 D 8.56 4.81 0.00 2.66 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 0.00 149 T 8.31 4.02 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 150 G 7.67 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 0.00 151 Y 7.88 4.22 0.00 3.02 3.07 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 0.00 0.00 0.00 0.00 152 Q 8.19 3.91 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.61 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 153 V 7.77 2.87 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 0.85 0.00 0.00 0.88 0.00 0.00 154 E 8.37 4.28 0.00 2.04 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 2.24 2.36 0.00 155 V 7.79 3.71 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 0.62 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.