NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3081 8.3293 119.6822 56.0328 30.1456 173.9089 3 T 4.7240 8.2143 111.0648 59.4490 72.2655 171.3379 4 I 4.4831 8.5083 123.4074 59.0411 40.9141 176.1607 5 N 4.6751 8.6818 124.7951 53.5586 39.7596 175.3930 6 A 3.9701 8.7768 127.4390 55.6996 18.4469 180.4769 7 T 3.7943 8.9812 114.4708 66.8730 68.3628 176.4156 8 E 4.1263 8.1476 119.2441 59.3185 29.9808 178.6117 9 I 3.8548 7.6596 119.8458 64.4154 37.0158 178.3682 10 R 4.0536 8.2187 118.5704 59.5687 30.0364 177.9982 11 N 4.6524 8.7114 115.0179 54.9574 39.5710 174.7323 12 N 5.2276 8.3398 118.2183 51.6736 40.0214 176.0634 13 F 4.5205 8.6694 122.6045 61.7015 39.9791 175.3914 14 S 4.0367 8.3266 112.2375 61.6399 62.1192 175.2050 15 Y 4.0058 8.0228 121.5324 61.1143 38.4903 177.6924 16 Y 3.9698 7.8475 117.1684 60.5779 37.8738 177.9691 17 I 3.5086 7.7825 121.2831 64.5372 37.2553 178.0210 18 D 4.2393 7.8886 119.2957 57.6311 40.5580 178.8169 19 T 3.6290 7.5309 116.2363 66.8229 68.2331 176.7398 20 V 4.1170 7.4174 119.7466 65.4084 31.6198 177.9681 21 V 3.6985 7.8590 117.3884 65.9306 31.5141 177.6208 22 R 4.2867 8.3100 116.1055 57.3993 30.4524 175.5073 23 D 4.7638 8.1101 114.9582 53.9176 43.8962 175.1881 24 K 4.5181 7.1667 115.2903 54.9531 35.0671 173.0677 25 P 4.8842 0.0000 0.0000 62.7004 32.2100 175.5927 26 I 4.6302 8.2402 114.2688 59.0614 41.5223 173.7347 27 A 4.8433 8.2237 124.6297 50.1415 21.6733 175.4701 28 V 4.4531 8.6744 122.5340 60.6360 34.6477 174.1514 29 K 4.9315 8.8199 128.9713 54.6762 34.6786 174.3411 30 R 4.5977 8.6525 128.6434 56.5419 32.1439 176.9011 31 N 3.9138 9.1760 124.2770 55.0282 39.3124 174.6773 32 R 4.4617 9.1303 114.1857 55.9464 32.0733 175.4440 33 D 4.7798 8.1657 119.6047 52.9115 42.1945 175.2158 34 V 4.9001 8.1922 122.5828 61.1279 33.7767 174.5410 35 L 5.0031 9.0488 126.8598 52.8714 45.6638 175.1620 36 L 4.9383 8.5580 120.0884 52.9635 44.6887 175.8394 37 F 5.1033 8.6044 122.1926 55.7631 41.5524 174.6052 38 F 5.4094 8.7583 121.3749 55.1678 42.3186 175.1785 39 S 4.2773 8.8333 116.3613 58.2335 63.7652 174.6734 40 E 3.9230 9.0508 123.1580 59.8817 29.2008 179.0900 41 Q 3.9250 8.0881 118.7398 59.3057 29.0064 178.1361 42 I 3.6869 7.8277 120.7992 64.4583 37.2460 178.5452 43 I 3.5058 7.3916 119.4690 64.0367 36.7293 178.3947 44 K 3.8135 7.9478 118.5308 59.8168 32.2600 178.7923 45 D 4.4251 8.2901 119.0882 57.1138 40.4808 178.4060 46 L 3.9198 7.9242 120.4178 57.7484 42.2964 178.1162 47 L 4.3107 7.4187 116.4699 54.7127 41.5216 178.4258 48 Q 3.9516 7.7654 119.3941 58.8439 28.5435 176.7424 49 D 4.6361 7.6537 117.4503 53.8077 41.4021 175.8552 50 L 4.1589 7.6274 122.9691 54.6722 42.5128 176.0268 51 K 5.0295 8.5870 124.1708 54.7463 36.3565 175.2882 52 I 4.5895 9.0751 123.6711 60.0363 39.6784 174.2416 53 H 5.4328 9.0145 124.0396 54.2149 30.4369 173.8811 54 A 4.8974 9.1717 126.1771 50.2722 21.4950 175.0058 55 E 4.9595 9.0964 122.8933 55.0013 31.4164 175.1516 56 L 5.2454 8.9072 125.1790 52.8815 44.3532 175.8356 57 S 4.9066 9.1189 118.5627 56.2769 65.1081 172.2834 58 K 4.9976 8.6007 127.9465 54.6546 34.3988 175.0433 59 E 4.5001 9.2704 127.4285 56.3102 32.8320 174.5628 60 D 4.2289 9.7758 126.8141 55.5671 38.4260 174.8373 61 G 3.9505 8.4401 104.8090 45.5499 0.0000 173.6427 62 I 4.6483 7.5466 120.9922 59.4323 40.0382 174.5124 63 I 4.8646 8.8908 127.6321 59.7122 39.5356 174.5113 64 I 4.7834 8.7227 128.3032 59.6296 39.5235 174.9378 65 G 4.5512 9.1871 114.0605 44.5636 0.0000 171.8231 66 T 5.3946 8.8007 113.3793 58.6144 73.2243 172.6485 67 I 4.7287 8.0489 122.4431 59.3539 40.2783 174.5389 68 D 4.6215 8.8187 127.5407 55.3521 41.4855 175.2061 69 G 3.9683 9.0433 115.0484 45.4264 0.0000 173.8624 70 F 4.3479 8.0993 115.6839 56.3066 40.0798 176.0514 71 D 4.3330 8.1508 118.1499 54.7109 39.4627 172.6538 72 L 4.6666 7.3196 116.8526 54.0057 43.3200 176.2181 73 V 4.8295 8.0157 121.0102 60.7664 34.3512 173.8280 74 V 4.6486 8.7830 116.1372 60.0002 36.7216 173.8248 75 S 5.0642 8.3502 115.2741 57.2144 65.7717 172.9415 76 G 4.1223 8.7967 111.4434 46.5028 0.0000 173.0890 77 E 4.6715 9.7541 118.6295 56.7042 30.5114 176.7868 78 S 4.6928 7.4566 113.1268 55.5140 67.5575 174.1137 79 E 3.9224 8.7323 122.4067 59.6467 29.1887 179.0257 80 Q 3.9409 7.9451 117.5139 58.8519 28.8921 178.0452 81 E 3.8690 8.0445 120.1131 59.1988 29.5734 179.0409 82 V 3.5518 7.6529 117.9080 66.1133 31.5906 178.0684 83 I 3.6033 7.7970 119.5251 64.2419 36.9114 178.0083 84 Q 3.8842 8.2004 120.5834 59.4102 28.7924 178.9035 85 K 4.0083 8.1286 119.2457 59.2883 31.9738 179.4449 86 L 3.9157 8.2546 119.5278 57.5986 41.5051 179.3126 87 A 3.8488 8.2746 121.1289 55.1137 18.3120 179.5538 88 E 3.8685 8.1082 116.9541 59.8357 29.5317 179.4556 89 D 4.4234 8.4232 119.1285 57.1832 40.6852 178.9649 90 L 3.9909 8.1065 119.9383 57.4937 41.5480 179.1569 91 L 3.9051 8.0195 120.3530 58.1081 41.9822 178.5389 92 E 4.1771 8.2034 120.5578 58.9291 29.5619 178.0697 93 Y 4.3322 8.3776 119.4627 60.7782 38.6119 177.9518 94 A 3.7615 8.0883 120.7878 55.2089 18.6141 179.3086 95 Q 4.0893 8.2487 116.5696 59.2052 28.9334 178.8202 96 D 4.4392 8.3072 120.0893 57.3585 40.6967 178.7109 97 Y 2.6432 7.6050 116.7556 58.4308 38.4257 177.3457 *99 N 4.6824 8.0764 117.1446 52.4816 41.3365 174.2926 100 D 4.9666 7.8736 115.6601 51.8927 41.4387 175.4999 101 F 4.4039 8.3151 126.8213 60.6781 40.0469 175.5208 102 K 3.8666 8.3413 118.7027 59.5975 31.7050 178.0169 103 L 3.9238 8.0077 118.1765 58.4426 42.2634 178.5734 104 F 3.8665 8.2410 117.5938 60.3753 38.4867 177.2765 105 Y 3.9863 7.4864 120.0228 59.4487 38.5924 176.6872 106 N 4.6103 7.3365 113.1706 52.1143 39.5993 175.2508 107 A 4.0964 6.8405 124.8451 50.6988 19.2158 175.5114 108 P 4.2453 0.0000 0.0000 64.5180 31.6085 176.6662 109 N 4.3189 8.8587 118.4694 54.2249 36.2892 175.3764 110 R 4.1861 7.5789 117.3538 56.2253 31.1024 178.0676 111 K 3.5272 7.7928 120.1917 59.5418 31.9802 178.3620 112 T 4.1355 7.7863 107.7998 64.5441 68.9965 175.5900 113 H 4.7529 8.2680 119.5881 58.7394 28.6926 176.7195 114 Y 3.9720 8.2227 121.8497 60.3914 38.6471 176.5125 115 P 3.9660 0.0000 0.0000 65.5154 31.2739 178.2440 116 Y 3.9954 7.7117 115.0623 61.0439 37.9632 178.1239 117 I 3.5249 7.6645 120.6981 64.3111 37.1531 178.1600 118 L 3.6976 7.7174 121.0751 57.9018 41.9262 178.9039 119 K 3.7447 7.7416 119.4957 59.4203 31.8843 178.7189 120 V 3.9938 7.7500 119.0053 65.6328 31.4718 177.7437 121 L 4.1436 7.7464 117.3985 57.6065 41.5601 179.1039 122 L 4.1208 7.9177 117.7449 55.9706 41.9681 177.9366 123 S 4.4208 7.3662 115.3014 58.8745 63.1796 174.9381 124 S 4.2820 8.9319 120.7647 60.5711 63.1929 174.0654 125 N 4.4802 7.4027 116.5239 51.1131 40.3420 175.2426 126 I 3.6832 7.9408 121.2860 64.4759 36.8597 178.3017 127 D 4.3128 8.0588 118.6434 57.4561 40.8090 178.2668 128 E 4.0858 8.4821 119.0341 59.1825 29.3910 179.4739 129 V 2.9517 7.3987 117.7657 65.8731 31.6327 178.0726 130 K 3.7297 8.1567 118.5936 59.5000 31.6039 179.3744 131 G 3.6823 7.4894 105.1780 46.6957 0.0000 173.5548 132 Y 4.5231 6.7394 117.7655 56.5484 39.5400 174.8855 133 I 4.6018 6.8797 120.5797 60.6369 38.6125 174.7328 134 Y 4.7553 9.0740 124.9591 56.0238 40.7475 174.5851 135 A 4.9272 8.8363 126.9145 51.2439 19.8443 176.0726 136 E 4.7953 9.0337 123.2520 55.2480 33.4155 176.9894 *138 V 3.8838 8.3640 111.9570 62.1166 32.0686 175.1210 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 Q 8.33 4.31 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 3 T 8.21 4.72 4.14 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 1.14 0.00 0.00 4 I 8.51 4.48 1.52 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 1.02 0.57 0.61 0.00 0.00 5 N 8.68 4.68 0.00 2.73 2.65 0.00 0.00 7.08 8.15 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 6 A 8.78 3.97 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 7 T 8.98 3.79 4.29 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 1.23 0.00 0.00 8 E 8.15 4.13 0.00 1.97 2.13 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 2.35 2.52 0.00 9 I 7.66 3.85 2.04 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.95 1.13 0.00 0.00 10 R 8.22 4.05 0.00 1.80 1.99 0.00 3.22 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 11 N 8.71 4.65 0.00 2.80 2.92 0.00 0.00 6.82 8.04 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 12 N 8.34 5.23 0.00 3.17 2.76 0.00 0.00 6.46 7.67 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 13 F 8.67 4.52 0.00 3.27 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 14 S 8.33 4.04 0.00 4.01 3.92 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 15 Y 8.02 4.01 0.00 2.93 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 16 Y 7.85 3.97 0.00 3.15 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 17 I 7.78 3.51 1.80 0.00 0.00 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 1.03 0.14 0.79 0.00 0.00 18 D 7.89 4.24 0.00 2.82 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.53 3.63 4.21 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 1.16 0.00 0.00 20 V 7.42 4.12 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 1.21 0.00 0.00 1.03 0.00 0.00 21 V 7.86 3.70 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 0.86 0.00 0.00 0.94 0.00 0.00 22 R 8.31 4.29 0.00 1.81 1.92 0.00 3.10 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 23 D 8.11 4.76 0.00 2.52 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.17 4.52 0.00 1.93 1.84 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.41 7.81 25 P 0.00 4.88 0.00 1.80 1.93 0.00 3.65 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 2.15 2.33 0.00 26 I 8.24 4.63 1.66 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.27 0.94 0.00 0.00 27 A 8.22 4.84 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 28 V 8.67 4.45 1.55 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 0.69 0.00 0.00 -0.20 0.00 0.00 29 K 8.82 4.93 0.00 1.75 1.56 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.30 7.81 30 R 8.65 4.60 0.00 1.92 1.75 0.00 3.29 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 31 N 9.18 3.91 0.00 2.78 2.29 0.00 0.00 7.12 7.65 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 32 R 9.13 4.46 0.00 1.82 1.93 0.00 3.25 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 33 D 8.17 4.78 0.00 2.78 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 34 V 8.19 4.90 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 0.76 0.00 0.00 0.90 0.00 0.00 35 L 9.05 5.00 0.00 1.58 1.67 0.93 0.65 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 36 L 8.56 4.94 0.00 1.62 1.09 1.11 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.60 5.10 0.00 2.69 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 38 F 8.76 5.41 0.00 2.83 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 39 S 8.83 4.28 0.00 4.02 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 0.00 40 E 9.05 3.92 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 41 Q 8.09 3.93 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 42 I 7.83 3.69 1.98 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 1.59 0.92 0.96 0.00 0.00 43 I 7.39 3.51 1.88 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.02 0.75 0.00 0.00 44 K 7.95 3.81 0.00 1.89 1.83 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 45 D 8.29 4.43 0.00 2.71 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 46 L 7.92 3.92 0.00 1.65 1.76 0.79 1.13 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 47 L 7.42 4.31 0.00 1.73 1.43 0.72 0.41 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 48 Q 7.77 3.95 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 49 D 7.65 4.64 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.63 4.16 0.00 1.45 1.44 0.57 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.59 5.03 0.00 1.74 1.96 0.00 2.36 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.51 7.81 52 I 9.08 4.59 1.90 0.00 0.00 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 1.29 0.96 0.78 0.00 0.00 53 H 9.01 5.43 0.00 3.10 3.65 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 9.17 4.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.10 4.96 0.00 1.94 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 2.29 2.30 0.00 56 L 8.91 5.25 0.00 1.45 1.56 0.97 0.68 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 57 S 9.12 4.91 0.00 3.85 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 K 8.60 5.00 0.00 1.78 1.65 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.39 7.81 59 E 9.27 4.50 0.00 1.99 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 60 D 9.78 4.23 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 61 G 8.44 3.95 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 0.00 62 I 7.55 4.65 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 1.22 0.93 0.91 0.00 0.00 63 I 8.89 4.86 1.96 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 1.23 0.68 0.91 0.00 0.00 64 I 8.72 4.78 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 1.16 1.07 0.91 0.00 0.00 65 G 9.19 4.55 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 0.00 0.00 0.00 66 T 8.80 5.39 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 1.21 0.00 0.00 67 I 8.05 4.73 1.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.15 1.10 0.00 0.00 68 D 8.82 4.62 0.00 2.82 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 69 G 9.04 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 0.00 0.00 0.00 70 F 8.10 4.35 0.00 3.01 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 71 D 8.15 4.33 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.32 4.67 0.00 1.73 1.52 0.79 0.67 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 73 V 8.02 4.83 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 0.66 0.00 0.00 0.93 0.00 0.00 74 V 8.78 4.65 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 0.68 0.00 0.00 1.01 0.00 0.00 75 S 8.35 5.06 0.00 3.81 3.65 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 76 G 8.80 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 77 E 9.75 4.67 0.00 1.90 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 2.27 2.22 0.00 78 S 7.46 4.69 0.00 4.10 3.89 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 0.00 0.00 0.00 79 E 8.73 3.92 0.00 2.05 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 2.37 2.41 0.00 80 Q 7.95 3.94 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 81 E 8.04 3.87 0.00 2.05 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 2.29 2.30 0.00 82 V 7.65 3.55 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 1.04 0.00 0.00 0.95 0.00 0.00 83 I 7.80 3.60 1.80 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 1.34 0.59 0.77 0.00 0.00 84 Q 8.20 3.88 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 85 K 8.13 4.01 0.00 1.82 1.81 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.58 7.81 86 L 8.25 3.92 0.00 1.74 1.62 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.27 3.85 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 88 E 8.11 3.87 0.00 2.17 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 2.30 2.45 0.00 89 D 8.42 4.42 0.00 2.89 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 90 L 8.11 3.99 0.00 1.83 1.63 0.73 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.02 3.91 0.00 1.73 1.81 0.91 0.73 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 92 E 8.20 4.18 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00 93 Y 8.38 4.33 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 94 A 8.09 3.76 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 95 Q 8.25 4.09 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 96 D 8.31 4.44 0.00 2.78 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.60 2.64 0.00 2.34 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 *99 N 8.08 4.68 0.00 2.98 2.96 0.00 0.00 6.77 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 0.00 100 D 7.87 4.97 0.00 2.82 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 0.00 101 F 8.32 4.40 0.00 3.27 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 0.00 102 K 8.34 3.87 0.00 1.96 1.86 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.57 7.81 103 L 8.01 3.92 0.00 1.69 2.00 0.77 0.62 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 0.00 104 F 8.24 3.87 0.00 2.24 1.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.49 3.99 0.00 1.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 7.34 4.61 0.00 2.91 2.80 0.00 0.00 7.02 7.23 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 0.00 107 A 6.84 4.10 1.14 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 0.00 0.00 108 P 0.00 4.25 0.00 1.99 1.99 0.00 3.69 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 1.98 2.08 0.00 109 N 8.86 4.32 0.00 2.82 2.90 0.00 0.00 7.02 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 0.00 110 R 7.58 4.19 0.00 2.03 2.13 0.00 3.24 0.00 0.00 3.51 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 111 K 7.79 3.53 0.00 1.55 1.63 0.00 1.60 0.00 0.00 1.80 0.00 0.00 2.64 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 0.27 7.81 112 T 7.79 4.14 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 1.24 0.00 0.00 113 H 8.27 4.75 0.00 3.77 3.72 0.00 5.65 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 0.00 114 Y 8.22 3.97 0.00 3.57 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 3.97 0.00 1.81 1.89 0.00 3.89 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 116 Y 7.71 4.00 0.00 3.38 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 0.00 117 I 7.66 3.52 1.55 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 -0.36 0.65 0.00 0.00 118 L 7.72 3.70 0.00 0.79 1.35 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.74 3.74 0.00 1.72 1.76 0.00 1.41 0.00 0.00 0.88 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.94 1.10 7.81 120 V 7.75 3.99 2.26 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 1.24 0.00 0.00 1.04 0.00 0.00 121 L 7.75 4.14 0.00 1.77 1.69 0.94 0.79 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 0.00 122 L 7.92 4.12 0.00 1.68 1.69 0.83 0.79 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 0.00 123 S 7.37 4.42 0.00 4.13 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 0.00 124 S 8.93 4.28 0.00 4.01 3.92 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 0.00 125 N 7.40 4.48 0.00 2.90 2.86 0.00 0.00 6.29 7.33 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 0.00 126 I 7.94 3.68 1.83 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 1.60 0.89 0.84 0.00 0.00 127 D 8.06 4.31 0.00 2.79 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 0.00 128 E 8.48 4.09 0.00 2.16 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 2.33 2.51 0.00 129 V 7.40 2.95 2.03 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 0.76 0.00 0.00 0.96 0.00 0.00 130 K 8.16 3.73 0.00 1.83 1.70 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.41 7.81 131 G 7.49 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 0.00 132 Y 6.74 4.52 0.00 3.05 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 I 6.88 4.60 1.63 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.36 0.80 0.00 0.00 134 Y 9.07 4.76 0.00 2.81 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 0.00 135 A 8.84 4.93 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 0.00 136 E 9.03 4.80 0.00 1.97 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 2.33 2.42 0.00 *138 V 8.36 3.88 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 0.74 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.