NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.1394 7.9127 114.0615 60.7794 33.5023 175.6460 6 F 4.0820 8.9484 123.3274 61.6416 38.8509 175.6155 7 D 4.2095 9.0532 119.3679 57.6859 41.0314 178.1090 8 D 4.3323 8.0555 119.1153 57.1664 40.3674 179.0416 9 K 3.9037 7.7784 118.6202 59.3569 31.9851 179.2762 10 L 3.7154 7.2956 118.7566 57.6656 41.4328 179.5949 11 L 3.7238 8.1412 118.9810 57.3194 41.5635 179.3466 12 A 4.0467 7.9600 122.4412 54.3446 17.9970 179.8437 13 V 3.4687 7.0794 115.6720 66.2091 31.5664 178.0875 14 I 3.7432 7.2197 119.8399 64.3065 36.8294 178.6636 15 S 4.4780 8.2499 115.4532 60.7829 62.5435 175.6387 16 G 4.1485 7.4388 107.0231 43.7932 0.0000 172.0637 17 N 5.0768 7.5636 118.1617 52.0582 42.5284 173.7857 18 S 3.6927 8.2017 110.4446 57.1650 65.2067 173.0073 19 I 5.1212 7.8560 120.0201 59.7731 41.0042 174.2341 20 G 4.2813 9.1934 114.0480 45.3922 0.0000 171.2814 21 V 4.7050 8.6525 120.2078 61.1087 33.1160 174.2885 22 L 4.8374 8.9265 131.3530 54.1368 43.9384 174.9270 23 A 5.2429 9.1300 128.6871 50.5012 21.4569 175.5578 24 T 4.9519 8.6495 112.6001 60.1813 72.6084 172.9911 25 I 4.8536 7.9983 121.8991 59.3078 39.0437 176.5887 26 K 4.4908 9.2786 127.3157 55.8026 32.8075 177.5683 27 H 4.0599 8.9684 116.0305 58.7679 27.9946 175.8148 28 D 4.4633 7.5390 116.2154 52.8310 39.5737 177.0282 29 G 3.9617 8.2352 109.9107 45.3428 0.0000 174.4576 30 R 4.2397 7.8803 116.4257 54.8889 30.4859 174.2265 31 P 4.8656 0.0000 0.0000 62.7279 32.4762 175.4318 32 Q 4.6812 9.2267 124.2749 54.2849 31.7509 174.0459 33 L 5.4759 8.5522 125.7451 53.2049 44.5427 175.5824 34 S 4.7775 8.8351 116.5420 57.4325 67.0155 172.3667 35 N 5.4921 8.6173 117.3562 51.7237 39.4880 174.6258 36 V 4.6335 8.6766 112.5642 59.9012 36.6201 174.0365 37 Q 4.9922 8.7427 124.9309 55.6344 29.9321 174.2155 38 Y 5.2686 8.5650 123.4594 55.7707 41.9544 173.5465 39 H 5.0310 9.3164 119.6740 54.3861 32.8322 172.1493 40 F 5.3385 8.7842 127.5253 56.6856 41.1991 174.1207 41 D 4.4582 8.6249 127.5804 51.9513 41.2966 175.2252 42 P 3.6714 0.0000 0.0000 65.0706 31.9766 178.1391 43 R 3.9064 8.0189 119.1548 59.1556 29.9064 177.4041 44 K 4.1833 8.0543 113.0837 55.5283 33.4229 176.0993 45 L 3.7249 7.5654 119.0373 56.1822 39.4772 173.5766 46 L 5.3505 7.1603 117.3633 52.9827 46.4806 177.2451 47 I 5.0623 8.6375 122.7239 59.7512 39.9530 174.5730 48 Q 5.2932 9.3986 125.8985 54.2010 31.8378 174.8824 49 V 4.8490 8.8775 122.3790 61.2831 35.7461 173.6328 50 S 5.3202 8.8096 121.1802 56.8712 63.5850 173.0674 51 I 4.8410 8.9131 120.0564 59.0724 41.4564 173.8471 52 A 4.8794 8.3070 124.5322 50.2307 20.7675 177.2037 53 E 3.9345 8.8429 123.8758 59.1286 29.6227 176.9306 54 P 4.4070 0.0000 0.0000 64.5581 31.9680 177.5283 55 R 4.1868 7.9908 118.0072 55.3331 31.9029 177.0575 56 A 4.0280 8.6322 123.9616 55.4044 18.3592 180.2578 57 K 3.8787 8.0905 116.6081 60.6369 32.4775 179.3561 58 T 3.8814 7.8024 116.3180 66.3578 68.1396 176.7321 59 R 3.9526 8.0788 119.9733 59.4319 29.9786 178.8783 60 N 4.4092 8.5267 116.4346 56.4632 38.3762 177.5766 61 L 4.6110 7.6664 120.3296 57.2671 41.7173 179.4473 62 R 4.0569 7.9832 117.6116 58.9213 29.9875 178.6111 63 R 4.4020 7.4839 116.5382 57.5266 30.8011 175.8156 64 D 4.5114 8.3486 120.1390 51.9741 42.7950 173.0993 65 P 4.7310 0.0000 0.0000 63.6406 32.5406 176.2175 66 R 4.5835 8.1130 120.8463 56.6458 30.5141 176.0225 67 A 5.0030 9.1191 124.7780 50.3647 23.1203 174.8631 68 S 5.2488 8.7714 115.0391 56.7998 67.5033 173.3543 69 I 4.9754 8.4984 122.9432 59.5344 40.7772 173.9668 70 L 4.8301 8.7315 129.6807 53.6048 43.9217 175.1275 71 V 4.6797 8.8623 126.1838 61.0577 34.3191 174.2098 72 D 5.1185 8.7939 127.3730 53.9555 41.9287 176.1838 73 A 4.4562 8.9628 125.4879 51.3034 19.9598 177.8121 74 D 4.5580 8.7628 116.9684 54.8153 39.4832 176.7100 75 D 4.5404 8.0885 118.7400 53.2678 40.1763 177.3298 76 G 4.0525 8.6637 108.1382 45.8020 0.0000 173.5315 77 W 5.3538 8.3983 126.8044 58.9050 33.8377 175.7354 78 S 4.4858 8.4274 114.1014 59.2956 63.6884 172.7368 79 Y 5.1746 8.1309 118.2445 56.5217 41.6229 172.8663 80 A 4.8588 8.8669 121.0094 50.0479 23.1169 175.1237 81 V 4.5729 8.5411 120.0335 60.8380 34.5924 174.0767 82 A 5.0213 8.5948 129.5168 50.2978 21.3276 175.2477 83 E 5.0766 9.0012 121.9555 54.9948 33.2011 175.8948 84 G 4.5945 8.4124 108.1797 47.2376 0.0000 171.3111 85 T 5.1301 8.4413 116.5131 61.3726 70.1788 174.7897 86 A 4.3679 9.0572 129.7780 52.0876 19.4883 176.4798 87 Q 4.6249 9.3155 120.6267 54.1246 31.3763 174.6473 88 L 5.2953 8.4524 124.1307 52.8978 44.0685 176.7117 89 T 4.3626 8.3463 113.8631 60.3739 69.8469 172.5803 90 P 4.4621 0.0000 0.0000 61.6303 31.9673 174.4405 91 P 4.4416 0.0000 0.0000 62.3109 31.7458 176.1254 92 A 3.9568 8.5749 124.0862 53.0606 18.5701 177.3707 93 A 4.6245 9.1802 124.0547 51.8133 21.3981 176.0041 94 A 4.7510 7.7772 117.2170 49.6527 22.2538 175.2521 95 P 4.2886 0.0000 0.0000 65.1686 31.4249 176.9340 96 D 4.7100 7.9274 116.3370 52.9849 39.8841 176.3997 97 D 4.6809 7.8150 121.4509 53.0381 41.8318 176.8538 98 D 4.3911 8.5097 119.2120 57.6753 40.6994 179.2738 99 T 3.8653 7.9129 115.9800 66.5652 68.4638 176.6365 100 V 3.6192 8.1347 120.1387 66.0977 31.5514 177.9085 101 E 3.8745 8.2585 118.1038 59.3747 29.2797 179.2432 102 A 4.0417 8.0610 120.8454 55.1281 18.4163 179.7181 103 L 4.1837 8.1552 117.5677 57.7251 41.6841 179.7787 104 I 3.7108 8.2809 120.2074 64.2763 37.1157 178.1687 105 A 3.9622 8.0212 121.6077 55.0833 18.1044 179.4779 106 L 3.9205 8.0705 118.8343 58.3153 42.1592 178.3978 107 Y 3.9726 8.3025 119.5346 61.0006 38.8971 178.3311 108 R 4.5587 8.2926 120.1285 58.9778 29.9269 178.8696 109 N 4.3858 7.7908 114.8896 55.9354 38.5601 177.1993 110 I 3.9302 7.7524 120.0083 63.2840 37.7222 176.7515 111 A 4.2842 8.3317 119.6708 51.1262 21.2410 176.2377 112 G 3.8094 7.3923 100.4643 44.0913 0.0000 171.5171 113 E 4.5733 8.5061 121.7334 55.4888 30.2327 176.9642 114 H 3.8345 7.5933 126.5244 55.6474 30.2348 175.2976 115 S 4.1365 7.9744 119.9719 60.3924 63.7059 174.0383 116 D 4.5675 7.5097 120.0129 51.0131 41.5300 174.9060 117 W 4.3273 8.3436 125.2316 59.3247 29.2506 177.3644 118 D 4.4408 8.3001 118.5846 57.4153 40.2631 178.2788 119 D 4.3565 8.5164 119.4326 57.4965 40.6043 178.1964 120 Y 3.9739 7.5437 118.6355 60.6630 38.8473 177.9900 121 R 4.0369 8.2289 118.1355 59.2803 30.4373 178.3730 122 Q 4.1283 8.0135 118.9578 59.0628 29.0055 179.8148 123 A 4.1542 7.8624 120.3186 52.2702 18.4200 179.4449 *125 V 4.0797 7.7807 121.9881 64.9065 33.3370 177.6457 126 T 3.8460 8.0982 115.3059 66.6749 68.2400 174.8844 127 D 4.5226 8.1707 117.9903 53.8115 41.7700 176.2325 128 R 3.7536 7.7388 118.5882 57.2335 28.3379 176.2538 129 R 4.7011 7.4870 115.5160 56.2659 32.0807 177.3724 130 V 4.6621 8.9901 121.6964 61.0272 35.4519 173.8887 131 L 4.8285 8.6922 129.5239 53.8720 43.6551 174.7350 132 L 4.8100 9.0073 129.7960 54.2533 43.7513 175.0218 133 T 4.8631 8.9705 124.1743 61.8124 71.0931 173.2872 134 L 4.8836 8.9568 130.0564 52.4792 43.6637 173.3008 135 P 4.7822 0.0000 0.0000 62.3753 32.6255 175.8060 136 I 4.2399 8.5306 126.4759 61.5055 36.7625 175.9844 137 S 4.6583 8.9316 123.9741 59.7972 64.3222 174.3180 138 H 4.9495 7.8888 117.9388 55.0229 33.0903 172.6160 139 V 5.0325 8.1741 117.4233 59.8559 35.2652 174.0850 140 Y 4.7664 8.8351 121.3694 55.9580 42.1815 173.7260 141 G 3.2636 7.9643 104.3547 44.2970 0.0000 173.4483 142 L 4.4324 6.4967 118.3775 52.0075 42.3409 174.6281 143 P 4.7594 0.0000 0.0000 60.4064 32.7733 174.8660 144 P 4.1626 0.0000 0.0000 64.7458 31.4067 176.8758 145 G 3.8693 8.6738 110.0579 45.9891 0.0000 173.6077 *147 R 4.1540 7.8686 123.6374 56.1420 30.4923 175.6174 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 5 V 7.91 4.14 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 0.77 0.00 0.00 0.99 0.00 0.00 6 F 8.95 4.08 0.00 3.10 3.09 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 0.00 0.00 0.00 7 D 9.05 4.21 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 8 D 8.06 4.33 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.78 3.90 0.00 1.69 1.73 0.00 1.81 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.51 7.81 10 L 7.30 3.72 0.00 1.49 1.38 0.34 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.14 3.72 0.00 1.60 1.65 0.96 0.80 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 12 A 7.96 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.08 3.47 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 0.86 0.00 0.00 0.84 0.00 0.00 14 I 7.22 3.74 1.30 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.39 0.17 0.00 0.00 15 S 8.25 4.48 0.00 4.24 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 0.00 16 G 7.44 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.56 5.08 0.00 2.67 2.78 0.00 0.00 6.84 7.30 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 18 S 8.20 3.69 0.00 3.58 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 19 I 7.86 5.12 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.17 0.98 0.00 0.00 20 G 9.19 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 21 V 8.65 4.71 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 0.98 0.00 0.00 0.93 0.00 0.00 22 L 8.93 4.84 0.00 1.81 1.52 0.98 1.08 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 23 A 9.13 5.24 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 24 T 8.65 4.95 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 25 I 8.00 4.85 1.88 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 1.35 0.66 0.96 0.00 0.00 26 K 9.28 4.49 0.00 1.95 1.76 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.51 7.81 27 H 8.97 4.06 0.00 3.28 3.46 0.00 5.52 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.54 4.46 0.00 2.70 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.24 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 30 R 7.88 4.24 0.00 2.02 2.05 0.00 2.76 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 31 P 0.00 4.87 0.00 1.96 2.03 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 32 Q 9.23 4.68 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 33 L 8.55 5.48 0.00 1.54 1.53 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.84 4.78 0.00 3.88 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 35 N 8.62 5.49 0.00 2.82 2.86 0.00 0.00 5.78 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 36 V 8.68 4.63 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 0.76 0.00 0.00 1.09 0.00 0.00 37 Q 8.74 4.99 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 38 Y 8.57 5.27 0.00 3.08 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 39 H 9.32 5.03 0.00 3.30 3.26 0.00 5.75 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 40 F 8.78 5.34 0.00 3.18 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.62 4.46 0.00 2.66 2.39 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 42 P 0.00 3.67 0.00 2.12 2.03 0.00 3.56 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 43 R 8.02 3.91 0.00 1.75 2.12 0.00 3.22 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 44 K 8.05 4.18 0.00 1.72 1.80 0.00 1.93 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.40 7.81 45 L 7.57 3.72 0.00 1.90 1.76 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.16 5.35 0.00 1.54 1.53 0.92 0.73 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 47 I 8.64 5.06 1.84 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.79 0.76 0.00 0.00 48 Q 9.40 5.29 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 49 V 8.88 4.85 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 1.12 0.00 0.00 1.03 0.00 0.00 50 S 8.81 5.32 0.00 4.03 3.85 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 51 I 8.91 4.84 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.93 0.95 0.00 0.00 52 A 8.31 4.88 1.26 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 0.00 0.00 0.00 53 E 8.84 3.93 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 54 P 0.00 4.41 0.00 2.08 2.10 0.00 3.74 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 2.03 2.10 0.00 55 R 7.99 4.19 0.00 1.91 1.85 0.00 3.32 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 56 A 8.63 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 57 K 8.09 3.88 0.00 2.01 2.11 0.00 1.53 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.56 7.81 58 T 7.80 3.88 4.50 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 1.22 0.00 0.00 59 R 8.08 3.95 0.00 2.00 2.00 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 60 N 8.53 4.41 0.00 2.90 3.00 0.00 0.00 7.04 6.55 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 61 L 7.67 4.61 0.00 1.78 1.74 0.96 1.04 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 62 R 7.98 4.06 0.00 1.97 2.00 0.00 3.32 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 63 R 7.48 4.40 0.00 1.86 2.11 0.00 3.23 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 64 D 8.35 4.51 0.00 2.64 2.48 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 65 P 0.00 4.73 0.00 2.26 2.28 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 2.08 2.00 0.00 66 R 8.11 4.58 0.00 1.85 1.94 0.00 3.11 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 67 A 9.12 5.00 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 68 S 8.77 5.25 0.00 3.80 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.50 4.98 1.68 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 1.06 0.64 0.73 0.00 0.00 70 L 8.73 4.83 0.00 1.62 1.44 0.51 0.42 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 71 V 8.86 4.68 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 1.01 0.00 0.00 0.78 0.00 0.00 72 D 8.79 5.12 0.00 2.65 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 73 A 8.96 4.46 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 74 D 8.76 4.56 0.00 2.79 2.81 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 0.00 0.00 0.00 75 D 8.09 4.54 0.00 2.89 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 76 G 8.66 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 0.00 0.00 0.00 77 W 8.40 5.35 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 78 S 8.43 4.49 0.00 3.91 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 79 Y 8.13 5.17 0.00 2.96 2.87 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 80 A 8.87 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.54 4.57 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 0.00 0.00 0.69 0.00 0.00 0.71 0.00 0.00 82 A 8.59 5.02 1.09 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 0.00 0.00 0.00 0.00 0.00 83 E 9.00 5.08 0.00 1.98 1.91 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 2.37 2.51 0.00 84 G 8.41 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 85 T 8.44 5.13 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 86 A 9.06 4.37 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 87 Q 9.32 4.62 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 88 L 8.45 5.30 0.00 1.51 1.57 0.93 0.96 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 89 T 8.35 4.36 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 1.23 0.00 0.00 90 P 0.00 4.46 0.00 2.20 2.10 0.00 3.78 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 1.99 1.96 0.00 91 P 0.00 4.44 0.00 2.19 2.23 0.00 3.79 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 2.12 0.00 92 A 8.57 3.96 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 93 A 9.18 4.62 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 94 A 7.78 4.75 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 95 P 0.00 4.29 0.00 2.19 2.20 0.00 3.75 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 1.99 1.96 0.00 96 D 7.93 4.71 0.00 2.78 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 97 D 7.82 4.68 0.00 2.95 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 98 D 8.51 4.39 0.00 2.70 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 99 T 7.91 3.87 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 100 V 8.13 3.62 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 1.17 0.00 0.00 1.01 0.00 0.00 101 E 8.26 3.87 0.00 2.16 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 2.47 2.43 0.00 102 A 8.06 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 0.00 103 L 8.16 4.18 0.00 2.02 1.98 0.97 0.80 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 0.00 104 I 8.28 3.71 1.82 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 1.28 1.17 -0.16 0.00 0.00 105 A 8.02 3.96 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 0.00 106 L 8.07 3.92 0.00 1.87 1.98 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.30 3.97 0.00 3.28 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 0.00 108 R 8.29 4.56 0.00 2.15 2.05 0.00 3.10 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 109 N 7.79 4.39 0.00 2.70 2.48 0.00 0.00 7.06 6.94 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 0.00 110 I 7.75 3.93 1.73 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.60 0.83 0.00 0.00 111 A 8.33 4.28 0.32 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 0.00 112 G 7.39 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.51 4.57 0.00 2.02 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 2.38 2.40 0.00 114 H 7.59 3.83 0.00 1.40 1.31 0.00 5.78 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.97 4.14 0.00 3.92 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 0.00 116 D 7.51 4.57 0.00 2.63 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 W 8.34 4.33 0.00 3.41 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 0.00 118 D 8.30 4.44 0.00 2.89 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 0.00 119 D 8.52 4.36 0.00 2.91 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 0.00 120 Y 7.54 3.97 0.00 2.40 3.23 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 0.00 121 R 8.23 4.04 0.00 2.03 2.00 0.00 3.29 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 1.74 2.00 0.00 122 Q 8.01 4.13 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.10 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 123 A 7.86 4.15 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 *125 V 7.78 4.08 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 0.97 0.00 0.00 0.94 0.00 0.00 126 T 8.10 3.85 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 1.20 0.00 0.00 127 D 8.17 4.52 0.00 2.72 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 0.00 128 R 7.74 3.75 0.00 1.96 1.93 0.00 3.28 0.00 0.00 3.31 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 129 R 7.49 4.70 0.00 1.70 1.85 0.00 3.26 0.00 0.00 3.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 130 V 8.99 4.66 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 1.08 0.00 0.00 1.03 0.00 0.00 131 L 8.69 4.83 0.00 1.82 1.55 0.97 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 132 L 9.01 4.81 0.00 1.77 1.72 0.95 0.55 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 0.00 133 T 8.97 4.86 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 0.00 134 L 8.96 4.88 0.00 1.71 1.66 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.78 0.00 2.13 1.98 0.00 3.81 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 2.12 2.13 0.00 136 I 8.53 4.24 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.52 0.93 0.00 0.00 137 S 8.93 4.66 0.00 3.89 3.94 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 0.00 0.00 0.00 138 H 7.89 4.95 0.00 3.25 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.17 5.03 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 0.68 0.00 0.00 0.81 0.00 0.00 140 Y 8.84 4.77 0.00 3.00 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 0.00 141 G 7.96 3.26 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 0.00 0.00 0.00 0.00 142 L 6.50 4.43 0.00 1.01 1.31 0.89 1.11 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 0.00 143 P 0.00 4.76 0.00 2.07 1.83 0.00 3.92 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 2.04 1.69 0.00 144 P 0.00 4.16 0.00 2.05 2.06 0.00 3.58 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 145 G 8.67 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 0.00 0.00 0.00 *147 R 7.87 4.15 0.00 1.91 2.01 0.00 2.83 0.00 0.00 2.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.