NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3019 8.0433 122.7061 55.0391 43.8167 175.1464 3 Y 4.9829 8.5798 123.1247 55.7260 41.3396 173.3272 4 L 4.6108 8.7287 125.0021 53.5112 43.6547 176.4136 5 T 5.0593 7.9750 112.6301 60.0442 69.7321 173.8511 6 Q 4.5246 7.3237 118.6606 56.1884 31.4591 172.5328 7 R 4.9729 8.5364 120.4262 54.2601 30.3101 175.4320 8 L 4.1527 8.3173 127.7340 54.8541 42.1967 178.4693 9 E 4.0268 8.7819 122.9882 57.9454 29.9377 176.3526 10 I 4.4085 6.9468 117.7382 58.5296 38.7929 173.5856 11 P 4.3581 0.0000 0.0000 62.6767 31.7988 175.7188 12 A 4.5136 7.9739 121.7264 49.4590 21.9207 176.0221 13 A 3.8571 8.2716 122.2699 52.2453 18.6597 177.9822 14 A 4.4122 8.5467 126.6156 52.8152 19.0456 176.9228 15 T 4.6676 8.5112 110.4959 60.8904 69.9690 173.1608 16 A 4.5125 7.4661 123.3448 52.3147 22.5583 175.0611 17 S 5.3509 7.9584 112.4005 57.3113 67.2657 173.5262 18 V 4.6590 9.0718 119.9457 60.6206 34.6782 174.0282 19 T 5.0865 8.6851 121.9415 62.0930 69.5338 173.6892 20 L 4.9445 8.7008 126.3028 52.1120 46.1524 175.1992 21 P 4.8821 0.0000 0.0000 61.7848 32.4145 177.4268 22 I 3.6714 9.2889 120.6101 64.4903 37.5121 177.7745 23 D 4.4877 8.1830 118.3535 56.5652 39.2491 178.3451 24 V 3.8014 7.7124 118.9456 65.5888 31.8066 177.7919 25 R 4.0304 8.1525 116.9066 58.0962 29.6545 178.1832 26 V 4.1446 7.1651 109.6013 60.6025 32.2890 176.1004 27 K 4.4431 7.5619 119.1211 55.7739 33.3435 176.3467 28 S 4.7126 8.5140 112.9597 58.4687 66.0074 173.8866 29 R 5.2072 7.8150 118.6368 53.4642 32.4855 175.6602 30 V 4.2407 7.9714 120.9160 61.0814 33.8519 170.9536 31 K 4.7043 8.7742 123.8432 55.9271 33.6906 175.6099 32 V 4.5929 8.7784 118.3960 60.5974 37.1469 173.7816 33 T 4.6781 8.1709 117.7068 61.5456 70.6378 174.6513 34 L 4.3194 7.9419 125.6665 54.5016 42.2645 178.0435 35 N 4.5113 8.8800 117.8399 55.4865 38.4882 176.0924 36 D 4.6116 8.0083 116.2907 53.0745 40.1875 175.5420 37 G 4.1703 8.2857 110.9356 46.2188 0.0000 174.0480 38 R 3.7825 8.0175 121.2455 56.0921 30.0838 176.2868 39 D 4.5130 8.4109 122.3029 54.6654 41.6699 175.1578 40 A 4.5386 8.5003 121.3237 51.1616 23.4656 175.3766 41 G 4.3574 8.4468 105.8696 44.3293 0.0000 172.2750 42 L 4.8000 9.1409 124.2869 53.4593 43.2833 177.1309 43 L 5.0163 8.4830 122.7810 53.4415 41.7343 175.1179 44 L 5.0440 8.1085 119.7757 52.1076 44.1632 176.5191 45 P 4.3850 0.0000 0.0000 62.3135 32.0256 176.5592 46 R 4.1307 8.3689 121.0743 57.4627 30.4867 176.9507 47 G 3.9904 8.8988 108.1883 45.2435 0.0000 173.9295 48 L 4.3119 6.8517 119.5131 53.8073 42.6717 176.1142 49 L 4.6194 8.0623 122.7952 53.0404 43.9890 175.8511 50 L 4.3351 8.6993 127.8967 54.9138 42.0915 177.1337 51 R 4.6360 9.5258 123.6451 53.6940 33.3338 176.2087 52 G 3.8556 8.6468 111.5324 46.9815 0.0000 173.0089 53 G 4.0662 8.9369 114.7865 45.9929 0.0000 174.2684 54 D 4.6003 8.3502 119.6739 54.3565 42.2747 175.7229 55 V 4.8441 8.3619 120.4647 61.2373 34.3492 174.1204 56 L 5.6896 9.5198 127.8959 52.6026 44.1809 175.6021 57 S 5.1038 8.4700 115.0520 56.1242 66.6043 173.5126 58 N 5.0735 8.2272 121.7729 53.5175 39.0421 174.7649 59 E 4.2431 8.8719 116.4230 58.4709 30.4952 178.1217 60 E 3.9344 8.1286 115.3195 57.3097 30.0335 176.3950 61 G 3.6923 8.3707 107.2212 47.1725 0.0000 173.8658 62 T 4.6073 7.6852 105.6141 60.3587 71.1714 173.4019 63 E 4.6080 7.3902 123.4900 54.2356 32.9945 174.2109 64 F 5.1244 8.7751 124.8069 55.7763 42.8228 173.8198 65 V 4.8003 9.5500 125.5828 61.0928 33.7873 174.1193 66 Q 4.7852 8.9182 129.9713 55.3577 30.6183 174.4506 67 V 4.6128 8.6716 126.8734 62.1443 33.3604 174.6022 68 I 4.9401 8.9056 127.8838 59.1567 40.8351 174.5839 69 A 4.6007 8.6760 128.3925 51.8719 18.4550 177.1372 70 A 4.3890 9.0079 125.2967 51.2032 20.2834 176.4762 71 D 4.6753 8.5713 119.5967 54.6472 42.2217 175.5326 72 E 4.7917 9.0635 121.2217 54.2888 34.8651 174.5686 73 E 4.2692 8.6679 120.9205 56.6995 30.6772 176.6057 74 V 4.4902 7.8992 117.1363 59.5895 36.6264 174.5424 75 S 4.7148 8.3841 119.6223 57.4968 64.5477 173.3194 76 V 4.1680 8.1962 124.7270 61.0966 33.5087 174.4287 77 V 4.5905 8.4967 128.4389 61.4360 33.4124 174.1586 78 R 5.1150 7.5949 124.1879 54.7284 32.2461 175.7052 79 C 4.1495 8.3857 118.9272 59.1196 35.2282 173.1570 80 D 4.3085 9.5455 128.0674 55.9632 40.9277 174.7119 81 D 4.4336 7.9207 131.7493 53.6441 41.3211 175.2307 82 P 4.4067 0.0000 0.0000 65.7570 31.7470 178.5904 83 F 4.3182 8.5349 119.8773 59.5441 40.2142 176.5039 *85 L 4.2762 8.0677 120.4490 54.2928 43.5307 178.9984 86 A 4.1281 8.2933 120.5351 55.1927 18.2345 179.8885 87 K 3.9261 7.8397 116.2936 59.3006 31.9742 179.5473 88 A 4.1467 7.8485 120.8453 55.2106 18.4072 179.1735 89 C 4.0847 8.6249 115.7056 63.2082 28.2197 175.7937 90 Y 4.1200 8.3974 120.9871 60.7409 38.1101 177.9643 91 A 3.8161 8.0977 121.6687 55.0041 18.4695 179.5955 92 L 3.9535 8.4365 118.1786 57.4597 41.6412 179.8151 93 G 3.5405 8.2615 106.1670 47.7642 0.0000 175.0910 94 N 4.0972 7.7298 118.4987 55.8595 38.7805 176.0280 95 R 4.3560 7.1250 116.7155 55.1729 31.0149 175.6927 96 H 4.0796 7.9710 114.1515 56.6143 27.0555 175.0556 97 V 3.9755 7.6552 119.0364 61.5078 31.9383 174.0233 98 P 4.4904 0.0000 0.0000 62.9811 31.8664 175.6088 99 L 5.2606 8.6013 125.2878 53.4106 46.1631 174.3275 100 Q 4.8695 9.4522 127.0257 54.7960 30.7204 174.3246 101 I 4.8912 8.2955 126.4154 58.7527 40.8150 173.2394 *103 P 4.0282 0.0000 0.0000 63.9687 32.1087 177.1384 104 G 4.0443 10.3074 111.0405 44.5575 0.0000 171.9921 105 E 5.1332 7.6383 118.8922 54.9453 32.7717 173.9729 106 L 5.2533 9.0184 125.7386 53.2414 45.8657 175.6636 107 R 5.0862 9.0893 119.3172 54.2637 34.8943 173.7948 108 Y 4.6167 7.5131 118.9590 55.4286 41.6860 173.4539 109 H 4.2698 8.5997 117.0732 56.6301 29.4445 174.3845 110 H 4.4988 8.3481 122.9996 56.2125 30.5107 174.2751 111 D 4.6276 8.5804 124.9585 51.9856 43.9704 175.2548 112 H 4.0560 9.0074 124.3300 59.0101 28.6167 177.5621 113 V 3.5825 7.9224 118.0522 66.3838 31.3099 177.6622 114 L 4.0540 7.7162 117.1539 57.5379 41.5689 178.8613 115 D 4.6317 8.2139 119.3063 57.0717 40.5094 177.7637 116 D 4.6338 8.4496 119.2927 54.8095 41.3723 178.3525 *118 L 3.7882 7.9806 121.4774 54.7291 43.9287 179.6784 119 R 4.3967 7.5246 117.0312 58.5727 30.0921 178.5711 120 Q 4.2306 7.6012 115.4391 57.8118 28.8698 176.6665 121 F 4.6991 8.1120 115.6913 57.4736 39.1018 176.4465 122 G 3.9609 8.1763 108.9855 45.7041 0.0000 173.7178 123 L 4.3703 7.6812 119.0830 54.0010 42.6049 175.8746 124 T 4.5699 8.3285 118.7847 62.4259 69.9225 173.6656 125 V 4.6776 8.4015 127.5476 61.6893 33.1517 174.7777 126 T 4.9865 8.6545 120.6962 60.0888 71.9978 172.6069 127 F 5.1534 8.4194 121.5597 57.3588 43.0706 174.7373 128 G 3.6773 6.3386 107.8515 45.8094 0.0000 172.5409 129 Q 4.9685 8.4834 119.4758 54.1955 29.8501 175.0081 130 L 5.0064 8.2740 123.0817 51.3757 47.0631 174.1202 131 P 4.8297 0.0000 0.0000 62.3047 32.0839 176.4641 132 F 5.1600 8.7950 124.7376 56.9005 40.8148 174.2421 133 E 4.3098 10.1478 130.2549 53.4546 29.1383 174.5209 134 P 4.4745 0.0000 0.0000 61.4726 32.6122 177.0835 135 E 3.9997 8.4570 119.0383 56.7470 30.1896 178.1707 136 A 4.3584 8.2458 125.6055 50.6999 16.9107 178.4287 137 G 4.1201 7.6483 103.3092 45.2484 0.0000 171.0061 138 A 4.2847 7.8612 128.1328 52.0872 19.3161 176.3687 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 8.04 4.30 0.00 1.70 1.61 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.58 4.98 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.73 4.61 0.00 1.61 1.60 0.90 0.20 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 5 T 7.97 5.06 4.24 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 1.23 0.00 0.00 6 Q 7.32 4.52 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 7 R 8.54 4.97 0.00 1.82 1.87 0.00 3.52 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 8 L 8.32 4.15 0.00 1.77 1.69 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.78 4.03 0.00 1.94 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 2.29 2.33 0.00 10 I 6.95 4.41 1.87 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 1.29 0.80 0.89 0.00 0.00 11 P 0.00 4.36 0.00 2.02 2.00 0.00 3.60 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 12 A 7.97 4.51 0.44 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 13 A 8.27 3.86 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 14 A 8.55 4.41 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 15 T 8.51 4.67 4.30 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 1.37 0.00 0.00 16 A 7.47 4.51 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 17 S 7.96 5.35 0.00 3.91 3.93 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 18 V 9.07 4.66 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 0.85 0.00 0.00 0.93 0.00 0.00 19 T 8.69 5.09 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 1.22 0.00 0.00 20 L 8.70 4.94 0.00 1.56 1.52 0.93 0.79 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 21 P 0.00 4.88 0.00 2.34 2.02 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 22 I 9.29 3.67 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 1.42 1.20 1.23 0.00 0.00 23 D 8.18 4.49 0.00 2.90 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.71 3.80 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 1.16 0.00 0.00 0.95 0.00 0.00 25 R 8.15 4.03 0.00 1.90 2.10 0.00 3.44 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 1.65 1.87 0.00 26 V 7.17 4.14 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 0.80 0.00 0.00 1.00 0.00 0.00 27 K 7.56 4.44 0.00 1.86 1.76 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.56 7.81 28 S 8.51 4.71 0.00 4.11 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 29 R 7.81 5.21 0.00 1.68 1.88 0.00 3.48 0.00 0.00 2.25 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.37 0.00 30 V 7.97 4.24 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 0.69 0.00 0.00 0.94 0.00 0.00 31 K 8.77 4.70 0.00 1.79 1.73 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.73 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.43 7.81 32 V 8.78 4.59 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 0.62 0.00 0.00 0.98 0.00 0.00 33 T 8.17 4.68 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 1.23 0.00 0.00 34 L 7.94 4.32 0.00 1.80 1.70 0.90 0.48 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 35 N 8.88 4.51 0.00 2.69 2.88 0.00 0.00 6.95 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.01 4.61 0.00 2.75 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 37 G 8.29 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 0.00 0.00 0.00 0.00 38 R 8.02 3.78 0.00 1.93 1.90 0.00 3.12 0.00 0.00 3.58 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 39 D 8.41 4.51 0.00 2.58 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 40 A 8.50 4.54 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.45 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 9.14 4.80 0.00 1.68 1.62 0.93 0.44 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 43 L 8.48 5.02 0.00 1.67 1.55 1.01 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.11 5.04 0.00 1.56 1.59 0.98 1.02 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 45 P 0.00 4.38 0.00 2.22 2.18 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 46 R 8.37 4.13 0.00 1.82 1.92 0.00 3.18 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 47 G 8.90 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 6.85 4.31 0.00 1.84 1.60 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.06 4.62 0.00 1.56 1.52 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.70 4.34 0.00 1.64 1.60 0.93 0.77 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 51 R 9.53 4.64 0.00 1.75 1.79 0.00 3.26 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 52 G 8.65 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 53 G 8.94 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 54 D 8.35 4.60 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.36 4.84 2.14 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 1.19 0.00 0.00 1.01 0.00 0.00 56 L 9.52 5.69 0.00 1.59 1.59 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.47 5.10 0.00 3.33 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 58 N 8.23 5.07 0.00 2.70 2.97 0.00 0.00 5.96 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 59 E 8.87 4.24 0.00 1.91 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 2.23 2.33 0.00 60 E 8.13 3.93 0.00 2.10 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 0.00 2.24 2.43 0.00 61 G 8.37 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 0.00 0.00 0.00 62 T 7.69 4.61 4.24 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 1.26 0.00 0.00 63 E 7.39 4.61 0.00 1.94 1.59 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 2.18 2.28 0.00 64 F 8.78 5.12 0.00 3.03 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 65 V 9.55 4.80 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 0.94 0.00 0.00 0.92 0.00 0.00 66 Q 8.92 4.79 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 67 V 8.67 4.61 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 0.96 0.00 0.00 0.94 0.00 0.00 68 I 8.91 4.94 1.88 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 1.17 0.83 0.91 0.00 0.00 69 A 8.68 4.60 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 9.01 4.39 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 71 D 8.57 4.68 0.00 2.61 2.58 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 0.00 0.00 0.00 72 E 9.06 4.79 0.00 1.85 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 2.28 2.55 0.00 73 E 8.67 4.27 0.00 2.00 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 2.72 2.44 0.00 74 V 7.90 4.49 1.68 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 0.39 0.00 0.00 0.65 0.00 0.00 75 S 8.38 4.71 0.00 2.72 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 76 V 8.20 4.17 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 1.00 0.00 0.00 0.73 0.00 0.00 77 V 8.50 4.59 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.05 0.00 0.00 78 R 7.59 5.12 0.00 1.78 1.81 0.00 3.24 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 1.56 1.52 0.00 79 C 8.39 4.15 0.00 2.95 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 80 D 9.55 4.31 0.00 2.73 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 81 D 7.92 4.43 0.00 2.67 2.71 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 82 P 0.00 4.41 0.00 2.29 2.14 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 83 F 8.53 4.32 0.00 2.97 3.30 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 *85 L 8.07 4.28 0.00 2.03 1.78 0.97 0.87 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 86 A 8.29 4.13 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 87 K 7.84 3.93 0.00 1.65 1.75 0.00 0.84 0.00 0.00 1.12 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 1.00 7.81 88 A 7.85 4.15 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 89 C 8.62 4.08 0.00 3.19 3.06 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 90 Y 8.40 4.12 0.00 3.05 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.10 3.82 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.44 3.95 0.00 1.60 1.57 0.84 0.30 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 93 G 8.26 3.54 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 0.00 0.00 0.00 94 N 7.73 4.10 0.00 2.54 2.69 0.00 0.00 7.22 7.22 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 95 R 7.12 4.36 0.00 1.68 1.81 0.00 3.23 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 96 H 7.97 4.08 0.00 3.21 3.30 0.00 5.65 0.00 0.00 0.00 0.00 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.66 3.98 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 0.58 0.00 0.00 0.81 0.00 0.00 98 P 0.00 4.49 0.00 2.26 2.07 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 99 L 8.60 5.26 0.00 1.95 1.52 1.10 0.83 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 0.00 100 Q 9.45 4.87 0.00 2.47 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.47 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 101 I 8.30 4.89 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.86 0.95 0.00 0.00 *103 P 0.00 4.03 0.00 2.22 2.13 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 104 G 10.31 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.64 5.13 0.00 1.95 1.79 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 2.20 2.33 0.00 106 L 9.02 5.25 0.00 1.70 1.62 0.99 0.74 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 0.00 107 R 9.09 5.09 0.00 1.80 1.55 0.00 3.19 0.00 0.00 3.24 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 108 Y 7.51 4.62 0.00 3.03 3.04 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 0.00 109 H 8.60 4.27 0.00 3.12 3.30 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.35 4.50 0.00 3.13 3.39 0.00 5.74 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.58 4.63 0.00 2.83 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.01 4.06 0.00 3.18 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.92 3.58 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 0.83 0.00 0.00 0.92 0.00 0.00 114 L 7.72 4.05 0.00 1.74 1.48 0.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.21 4.63 0.00 2.86 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 0.00 116 D 8.45 4.63 0.00 2.62 2.65 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 0.00 0.00 0.00 0.00 *118 L 7.98 3.79 0.00 1.69 1.72 0.98 0.73 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 0.00 119 R 7.52 4.40 0.00 1.99 1.99 0.00 3.14 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 120 Q 7.60 4.23 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 121 F 8.11 4.70 0.00 3.17 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 0.00 122 G 8.18 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 0.00 0.00 0.00 0.00 123 L 7.68 4.37 0.00 1.87 1.64 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.33 4.57 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 125 V 8.40 4.68 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 0.88 0.00 0.00 0.98 0.00 0.00 126 T 8.65 4.99 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 127 F 8.42 5.15 0.00 2.88 2.82 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 0.00 128 G 6.34 3.68 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 0.00 0.00 0.00 129 Q 8.48 4.97 0.00 1.86 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 130 L 8.27 5.01 0.00 1.46 1.45 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.83 0.00 1.95 2.00 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 132 F 8.79 5.16 0.00 2.72 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 10.15 4.31 0.00 1.73 1.76 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 2.19 2.31 0.00 134 P 0.00 4.47 0.00 2.01 1.50 0.00 3.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.26 0.00 135 E 8.46 4.00 0.00 1.98 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 0.00 2.49 2.43 0.00 136 A 8.25 4.36 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 7.65 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 0.00 138 A 7.86 4.28 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 * Residues marked with a * may have inaccurate shift predictions.