NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.1679 8.1849 120.6440 54.4462 44.1436 177.0820 *4 K 4.1619 7.5781 117.3627 55.6257 34.4452 176.4496 5 V 3.8054 8.3894 120.2112 66.5046 31.2842 178.1935 6 A 4.2329 8.0656 119.7280 55.4547 18.2858 179.3424 7 E 3.9709 8.1749 116.5147 59.3275 29.5499 179.4844 8 F 4.4085 8.2457 117.9015 60.7998 39.1172 177.4070 9 E 4.1310 8.5783 118.2206 59.5226 29.2342 179.3824 10 R 3.9745 8.4531 118.9198 59.6694 30.0683 178.6321 11 L 4.1099 8.2635 118.6328 57.8227 41.6732 179.3897 12 F 4.0109 9.0873 118.5303 60.3656 38.8345 177.7685 13 R 4.1877 8.3418 115.6122 59.0885 29.5183 178.6329 14 Q 4.1625 8.3694 119.1300 58.2124 29.0749 177.1783 15 A 4.4703 8.2464 120.9127 53.4049 19.4553 177.8465 16 A 4.5135 7.3975 114.8953 51.2519 20.9199 175.7574 17 G 4.0686 8.6904 104.3470 46.8783 0.0000 174.0984 18 L 4.5226 7.9122 118.3185 53.9443 43.1352 176.8817 19 D 4.8901 9.1649 123.4728 52.5204 41.4219 175.1529 20 V 3.8154 7.8798 123.7416 60.9137 32.2959 176.1359 21 D 4.6122 8.3908 122.5983 53.8522 42.0289 177.4626 22 K 3.7932 8.3258 119.6731 58.4805 32.4912 178.7681 23 N 4.5134 7.9995 114.2981 54.1124 37.9893 175.7186 24 D 4.5898 7.3394 118.1814 54.8387 41.7510 178.2915 25 L 3.5015 7.1448 119.5764 57.3713 41.5395 179.0531 26 K 3.8306 7.8562 119.0502 59.6279 32.0284 178.6427 27 R 3.8809 7.7138 118.3881 59.1558 30.0041 178.4470 28 V 3.3176 7.5577 118.1766 65.8114 31.4192 177.9455 29 S 4.2268 8.2650 113.1886 61.6413 62.2000 175.9429 30 D 4.3367 8.1192 121.5862 57.1983 40.6294 178.5222 31 F 4.1685 8.5591 121.5808 61.4622 39.3684 177.2740 32 L 3.9430 8.3330 118.8026 57.2749 41.3518 179.4524 33 R 3.8758 8.1068 119.1975 59.4545 29.9685 178.2463 34 N 4.3528 8.3131 116.4803 56.3345 38.5486 177.5822 35 K 3.8733 7.7200 119.6294 59.2716 32.1504 179.2009 36 L 3.9358 8.1856 120.9454 58.2487 41.9408 178.3610 37 Y 4.0472 8.5057 119.9353 60.9094 38.7347 177.8661 38 D 4.2611 8.4248 119.9032 57.0411 40.7307 178.8255 39 L 3.9077 7.7978 119.7522 57.8488 41.6351 179.5466 40 L 3.8569 7.7666 118.5149 57.4595 41.2245 179.5003 41 A 3.7415 7.7270 121.1795 54.9496 18.2919 179.8934 42 V 3.4779 7.7357 116.6593 65.9055 31.5136 178.0420 43 A 4.5753 8.0683 122.2398 54.5699 18.1762 179.0983 44 E 3.8278 8.2360 117.8023 59.5255 29.7190 179.0780 45 R 3.9197 7.6791 118.5258 59.6102 30.2168 178.2877 46 N 4.4345 8.3183 116.0839 55.9281 38.4213 177.3340 47 A 4.0732 8.4239 122.7821 55.2395 18.5121 179.8643 48 K 3.9680 8.1381 117.0593 59.7496 31.8806 178.9128 49 Y 4.0623 8.0224 118.9241 60.3508 38.6613 176.9157 50 N 4.8531 7.9635 115.1565 52.4247 38.9217 175.1797 51 G 3.9048 7.9539 107.5025 46.7012 0.0000 174.2991 52 R 4.7056 8.2189 117.5869 54.3273 32.5481 175.6380 53 D 4.9051 8.6438 118.2325 53.7159 41.5994 175.3386 54 L 4.8489 7.5389 118.1161 53.3785 45.4720 175.3271 55 I 4.3596 8.4498 127.0625 60.8764 38.5705 175.2128 56 F 4.8518 9.4890 125.3548 55.2183 42.5540 176.2590 57 E 3.9021 9.2028 120.1864 59.2693 29.2404 177.3305 58 P 4.3898 0.0000 0.0000 65.1030 31.8132 177.3691 59 D 4.5050 8.2302 118.5911 56.7092 41.0187 176.7301 60 L 4.3683 7.7836 119.7495 53.9087 42.1495 176.5123 61 P 4.4341 0.0000 0.0000 61.8401 29.4469 173.9911 62 I 4.1022 7.4501 123.2744 60.2533 38.0055 176.3062 63 A 4.2822 8.1213 127.6401 50.8587 20.4426 177.3331 64 K 3.8756 8.6477 121.3939 59.8330 32.0408 178.8629 65 G 3.6222 8.0252 105.1735 47.9714 0.0000 175.2858 66 L 4.0110 7.8252 122.7388 57.4912 42.1315 178.6054 67 Q 3.9530 8.1959 119.8296 59.2393 29.0030 178.0988 68 E 4.0574 8.5063 119.8049 59.5821 29.4467 179.4595 69 T 3.9829 7.9422 116.0887 66.2693 68.4288 176.5728 70 L 4.0547 8.0973 122.5858 58.2936 41.9149 179.0051 71 Q 4.0522 7.8134 116.9126 59.1600 28.9580 178.4873 72 E 4.1332 8.2365 119.6094 59.1470 29.2170 179.1856 73 F 4.2214 8.0475 120.2625 61.2661 39.6347 177.1116 74 R 3.8143 8.1382 115.6997 57.2638 31.1637 178.0795 75 R 4.2920 7.0158 118.9343 54.0330 28.5284 175.8373 *77 D 4.2616 7.6358 121.8271 54.2378 42.5113 177.3163 78 T 4.3149 7.0152 114.4339 61.6792 70.5518 173.1757 79 A 4.3065 8.3784 129.0042 51.1904 19.3109 176.6393 80 L 4.7027 8.3638 123.3286 52.7973 43.5905 176.6658 81 E 4.1820 8.4920 122.6162 56.2185 30.5418 177.5656 82 L 4.0763 8.6013 123.3891 58.0654 42.2581 178.8329 83 K 3.8297 8.0875 119.2863 59.4919 32.0130 176.2735 84 P 4.2186 0.0000 0.0000 65.5028 31.1809 178.7983 85 V 3.5563 7.6513 116.3838 66.0213 31.6140 177.8566 86 L 3.9780 7.9007 118.6497 58.0353 41.2630 179.2473 87 D 4.3728 8.1591 117.5130 57.3819 40.9675 178.5333 88 A 4.1423 8.0455 121.2395 55.1152 18.4257 179.6479 89 L 4.0601 8.2876 117.0030 57.2079 41.4824 179.0658 90 A 4.1581 7.7594 119.5250 53.9597 18.3894 178.7632 91 A 4.0740 7.6744 118.0735 52.8310 18.6658 177.2443 92 L 4.3868 6.6400 116.6847 51.6980 43.9025 174.6201 93 P 4.3187 0.0000 0.0000 61.8617 31.6432 175.1393 94 P 4.4572 0.0000 0.0000 62.7058 31.8258 176.2556 95 L 4.3759 8.2180 120.4444 54.4336 42.5857 177.1122 96 D 4.4721 9.0259 121.1174 57.2272 40.9436 177.4615 97 L 4.5587 7.7868 116.9204 53.7132 43.2136 176.8462 98 E 4.3370 8.5982 120.9983 56.2833 31.2920 175.7150 99 V 4.5005 7.9492 113.9639 59.3685 33.6895 176.1368 100 A 3.7925 8.6068 126.2867 51.7451 19.1857 178.2545 101 E 3.8224 8.8763 119.9273 59.7308 29.4103 179.2924 102 D 4.3960 7.9648 117.4287 57.2144 41.2068 178.4230 103 V 3.7239 7.5323 118.5187 65.5780 31.7784 177.6647 104 R 3.8304 8.1489 119.0102 59.7505 29.7394 177.9209 105 N 4.6309 8.0333 113.0325 54.7852 38.9283 176.5401 106 L 4.2046 7.8003 122.2999 57.1516 42.1631 178.2093 107 L 3.9268 7.4348 118.2166 57.5693 41.5597 177.6723 108 P 4.1888 0.0000 0.0000 65.7445 31.2522 178.5513 109 E 3.9384 8.1310 116.8105 59.3357 29.3549 179.2696 110 L 3.9223 8.1037 119.0832 57.2883 41.6007 179.3296 111 A 3.9783 8.0187 121.1877 55.0288 18.3146 179.7366 112 G 2.4612 7.5697 103.9907 47.6071 0.0000 175.5702 113 A 3.9485 7.5437 123.8177 54.8407 18.2873 179.7666 114 L 4.0798 8.1911 117.8210 57.7768 41.6428 179.9956 115 V 3.5505 7.7892 118.3960 65.8528 31.5055 178.0853 116 V 3.5352 7.9286 117.8942 66.0982 31.3357 177.8813 117 A 4.0800 8.3882 120.5488 55.3171 18.1099 178.8926 118 Y 3.5233 8.5174 118.0102 60.7177 38.9044 178.2208 119 A 3.9431 8.3294 122.0030 55.3237 18.3269 179.8929 120 R 3.9638 8.0461 116.3359 58.8995 30.1388 179.5464 121 V 3.5842 7.6593 118.6193 65.8096 31.4581 177.8426 122 L 3.8150 7.5047 118.5094 57.8378 41.3538 179.3809 123 K 3.8824 7.9148 119.1307 59.7057 31.7866 178.6024 124 E 4.0260 7.7040 117.9279 59.0997 29.4809 178.8013 125 L 4.3399 7.6105 118.2407 56.6137 41.2538 177.1781 126 D 4.6226 7.8955 118.5193 51.4143 41.8691 173.0571 127 P 4.7515 0.0000 0.0000 64.3468 31.8301 177.9216 128 A 4.0780 7.4357 118.8233 54.5767 18.5130 177.8557 129 L 3.9249 8.3406 116.5491 55.9593 42.6224 176.6066 130 K 4.5103 8.5570 122.4455 55.7913 34.9169 174.4579 131 N 5.5793 8.3536 116.1784 48.8899 39.0742 171.9733 132 P 4.3613 0.0000 0.0000 62.8862 32.6192 175.3806 133 Q 4.6685 8.6029 121.1983 53.6395 32.9694 175.5835 134 T 3.9269 8.6439 115.0593 67.0071 67.8382 175.9880 135 E 3.8816 8.0419 120.2732 59.5030 29.5977 178.5088 136 H 4.2028 7.9705 116.0672 59.3123 28.7711 177.3136 137 H 4.2529 8.0624 118.7461 58.3898 28.6403 177.3701 138 E 3.9070 8.0454 119.6304 59.4837 29.2664 179.7790 139 R 3.8914 7.6633 116.4640 59.1215 30.1227 178.7783 140 A 3.8578 8.0403 120.7263 55.1535 18.1634 179.5075 141 E 3.6095 8.3626 117.3180 59.6591 29.2709 179.8571 142 R 4.0323 7.5490 116.3254 59.0291 30.2946 179.2276 143 V 3.7964 7.8385 118.1680 66.1523 31.6970 177.9232 144 F 4.2428 8.7467 117.7346 60.9978 38.6688 177.4474 145 N 4.8311 8.8132 114.8906 56.0075 38.3624 176.8671 146 L 4.2790 7.9977 119.6231 56.3701 41.8837 177.5219 147 L 4.6697 7.8084 115.7690 54.0478 44.3233 176.2815 148 L 4.2772 8.3591 122.9216 54.7081 42.0295 176.0602 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 4.17 0.00 1.68 1.75 1.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 *4 K 7.58 4.16 0.00 1.83 1.80 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.50 7.81 5 V 8.39 3.81 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 1.00 0.00 0.00 6 A 8.07 4.23 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.17 3.97 0.00 2.03 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 2.40 2.39 0.00 8 F 8.25 4.41 0.00 3.39 3.12 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 9 E 8.58 4.13 0.00 2.26 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 0.00 2.35 2.54 0.00 10 R 8.45 3.97 0.00 2.11 2.19 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 11 L 8.26 4.11 0.00 2.03 1.77 1.01 1.14 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 12 F 9.09 4.01 0.00 3.41 3.34 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 13 R 8.34 4.19 0.00 2.12 2.37 0.00 2.82 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.69 0.00 14 Q 8.37 4.16 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 15 A 8.25 4.47 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.40 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.69 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 18 L 7.91 4.52 0.00 1.99 1.77 1.16 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.16 4.89 0.00 2.74 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.88 3.82 0.83 0.00 0.00 0.00 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 0.28 0.00 0.00 21 D 8.39 4.61 0.00 2.84 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 22 K 8.33 3.79 0.00 1.78 1.81 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.38 7.81 23 N 8.00 4.51 0.00 2.78 2.89 0.00 0.00 5.96 8.06 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 24 D 7.34 4.59 0.00 2.49 2.36 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 25 L 7.14 3.50 0.00 1.63 1.31 0.91 0.21 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 26 K 7.86 3.83 0.00 1.80 1.74 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.69 7.81 27 R 7.71 3.88 0.00 1.88 1.91 0.00 3.29 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 28 V 7.56 3.32 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 0.76 0.00 0.00 0.69 0.00 0.00 29 S 8.27 4.23 0.00 3.99 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 30 D 8.12 4.34 0.00 2.77 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 31 F 8.56 4.17 0.00 3.11 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 32 L 8.33 3.94 0.00 1.79 1.72 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.11 3.88 0.00 2.00 2.06 0.00 3.27 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 1.62 1.68 0.00 34 N 8.31 4.35 0.00 2.80 2.82 0.00 0.00 7.08 8.91 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 35 K 7.72 3.87 0.00 1.84 1.78 0.00 1.59 0.00 0.00 1.39 0.00 0.00 2.23 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.99 1.46 7.81 36 L 8.19 3.94 0.00 1.82 1.85 0.89 1.09 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 37 Y 8.51 4.05 0.00 3.10 3.12 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 38 D 8.42 4.26 0.00 2.87 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 39 L 7.80 3.91 0.00 1.84 1.66 0.88 0.38 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 40 L 7.77 3.86 0.00 1.64 1.53 0.90 0.65 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 41 A 7.73 3.74 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 42 V 7.74 3.48 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 0.95 0.00 0.00 0.90 0.00 0.00 43 A 8.07 4.58 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.24 3.83 0.00 1.98 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 2.29 2.30 0.00 45 R 7.68 3.92 0.00 1.88 2.07 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 46 N 8.32 4.43 0.00 2.93 2.86 0.00 0.00 6.91 7.40 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 47 A 8.42 4.07 1.51 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 0.00 0.00 48 K 8.14 3.97 0.00 2.03 1.90 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.65 7.81 49 Y 8.02 4.06 0.00 3.07 3.19 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 50 N 7.96 4.85 0.00 2.85 2.85 0.00 0.00 7.03 7.46 0.00 0.00 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 G 7.95 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 0.00 0.00 0.00 52 R 8.22 4.71 0.00 2.00 2.10 0.00 3.29 0.00 0.00 3.07 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 53 D 8.64 4.91 0.00 2.61 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 54 L 7.54 4.85 0.00 1.62 1.56 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.45 4.36 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.53 0.87 0.00 0.00 56 F 9.49 4.85 0.00 2.93 2.96 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 57 E 9.20 3.90 0.00 2.05 2.02 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 2.41 2.38 0.00 58 P 0.00 4.39 0.00 2.11 2.12 0.00 3.84 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 2.04 2.14 0.00 59 D 8.23 4.50 0.00 2.92 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 60 L 7.78 4.37 0.00 1.76 1.58 0.93 0.87 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 61 P 0.00 4.43 0.00 2.13 2.04 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 62 I 7.45 4.10 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 1.32 0.60 0.93 0.00 0.00 63 A 8.12 4.28 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 64 K 8.65 3.88 0.00 1.82 1.83 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.52 7.81 65 G 8.03 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.83 4.01 0.00 1.71 1.77 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.20 3.95 0.00 2.32 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 68 E 8.51 4.06 0.00 2.20 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 2.33 2.57 0.00 69 T 7.94 3.98 4.43 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 1.27 0.00 0.00 70 L 8.10 4.05 0.00 1.78 1.94 1.03 0.72 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 71 Q 7.81 4.05 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 72 E 8.24 4.13 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 73 F 8.05 4.22 0.00 3.03 3.33 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 74 R 8.14 3.81 0.00 2.02 1.94 0.00 3.25 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 75 R 7.02 4.29 0.00 1.85 1.83 0.00 3.19 0.00 0.00 3.14 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 *77 D 7.64 4.26 0.00 2.60 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 78 T 7.02 4.31 4.13 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 1.29 0.00 0.00 79 A 8.38 4.31 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 80 L 8.36 4.70 0.00 1.68 1.58 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.49 4.18 0.00 1.95 1.88 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 2.32 2.29 0.00 82 L 8.60 4.08 0.00 1.71 1.65 0.92 0.39 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 83 K 8.09 3.83 0.00 1.82 1.83 0.00 1.96 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.52 7.81 84 P 0.00 4.22 0.00 2.33 2.08 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 85 V 7.65 3.56 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.01 0.00 0.00 86 L 7.90 3.98 0.00 1.74 1.70 0.92 0.95 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 87 D 8.16 4.37 0.00 2.84 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 88 A 8.05 4.14 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 89 L 8.29 4.06 0.00 1.88 1.82 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.76 4.16 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 91 A 7.67 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 92 L 6.64 4.39 0.00 1.07 0.59 0.36 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.32 0.00 2.11 2.02 0.00 3.42 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 94 P 0.00 4.46 0.00 2.20 2.08 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 95 L 8.22 4.38 0.00 1.77 1.83 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 96 D 9.03 4.47 0.00 2.77 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 97 L 7.79 4.56 0.00 1.50 1.56 0.93 0.96 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 98 E 8.60 4.34 0.00 1.86 1.80 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 2.37 2.32 0.00 99 V 7.95 4.50 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 0.00 100 A 8.61 3.79 0.57 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 0.00 0.00 101 E 8.88 3.82 0.00 2.07 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 0.00 2.38 2.47 0.00 102 D 7.96 4.40 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 0.00 103 V 7.53 3.72 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 0.98 0.00 0.00 0.88 0.00 0.00 104 R 8.15 3.83 0.00 1.93 2.06 0.00 3.11 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 105 N 8.03 4.63 0.00 2.76 2.86 0.00 0.00 7.06 7.31 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 0.00 106 L 7.80 4.20 0.00 1.91 1.86 0.94 0.63 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 0.00 107 L 7.43 3.93 0.00 1.91 1.71 0.91 0.94 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 0.00 108 P 0.00 4.19 0.00 2.18 2.21 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 109 E 8.13 3.94 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.50 0.00 110 L 8.10 3.92 0.00 1.79 1.66 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.02 3.98 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 0.00 112 G 7.57 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.54 3.95 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 0.00 114 L 8.19 4.08 0.00 1.87 1.89 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.79 3.55 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 0.88 0.00 0.00 1.13 0.00 0.00 116 V 7.93 3.54 2.31 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 1.02 0.00 0.00 1.13 0.00 0.00 117 A 8.39 4.08 1.61 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 0.00 0.00 118 Y 8.52 3.52 0.00 2.76 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 0.00 119 A 8.33 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.05 3.96 0.00 2.04 2.01 0.00 3.17 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 121 V 7.66 3.58 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 0.98 0.00 0.00 1.22 0.00 0.00 122 L 7.50 3.82 0.00 1.92 1.63 1.11 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.91 3.88 0.00 1.85 2.02 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 124 E 7.70 4.03 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 2.59 2.50 0.00 125 L 7.61 4.34 0.00 1.77 1.71 0.84 0.86 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 0.00 126 D 7.90 4.62 0.00 2.56 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 0.00 127 P 0.00 4.75 0.00 2.07 2.12 0.00 3.77 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 128 A 7.44 4.08 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 0.00 129 L 8.34 3.92 0.00 1.73 1.76 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.56 4.51 0.00 1.82 1.69 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.45 7.81 131 N 8.35 5.58 0.00 2.59 2.70 0.00 0.00 7.29 8.02 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 0.00 132 P 0.00 4.36 0.00 1.92 1.99 0.00 3.84 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 133 Q 8.60 4.67 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 134 T 8.64 3.93 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 1.22 0.00 0.00 135 E 8.04 3.88 0.00 1.93 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 2.26 2.33 0.00 136 H 7.97 4.20 0.00 3.23 3.20 0.00 5.69 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 0.00 137 H 8.06 4.25 0.00 3.30 3.38 0.00 5.90 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 0.00 138 E 8.05 3.91 0.00 2.18 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 2.29 2.57 0.00 139 R 7.66 3.89 0.00 1.99 1.94 0.00 3.13 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 1.62 1.79 0.00 140 A 8.04 3.86 0.78 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 0.00 141 E 8.36 3.61 0.00 2.00 1.64 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 1.47 2.02 0.00 142 R 7.55 4.03 0.00 2.00 2.03 0.00 3.18 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 1.69 1.81 0.00 143 V 7.84 3.80 2.36 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 1.15 0.00 0.00 1.00 0.00 0.00 144 F 8.75 4.24 0.00 3.53 3.49 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 0.00 145 N 8.81 4.83 0.00 3.02 3.02 0.00 0.00 7.12 7.40 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 0.00 146 L 8.00 4.28 0.00 1.78 1.75 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.81 4.67 0.00 1.48 1.58 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.36 4.28 0.00 1.52 1.41 0.35 0.70 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 * Residues marked with a * may have inaccurate shift predictions.