NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7144 8.1633 120.6109 55.3959 34.0569 174.0056 2 K 5.1019 8.9545 124.7354 54.2146 36.3382 173.5504 3 A 5.1131 9.2304 123.9108 50.4392 23.6337 174.7930 4 V 4.6310 8.7525 121.5689 61.1275 34.0322 174.4922 5 V 4.8791 8.8592 128.4115 61.2368 33.9202 174.0501 6 Q 5.1463 9.0285 127.0595 53.9061 32.0052 174.8543 7 R 4.5224 8.7861 124.9873 56.3319 31.5209 175.5621 8 V 5.1210 9.0293 119.5170 59.8965 34.9477 176.6700 9 T 4.2725 8.6822 113.9717 64.0939 69.8300 174.5209 10 R 4.9738 8.0166 116.0751 56.6491 32.7632 173.4388 11 A 5.1389 8.6747 119.8427 51.5717 23.1526 175.4065 12 S 4.9423 8.9561 113.4293 57.4660 67.2786 173.2533 13 V 4.9276 8.7449 120.4064 61.4823 34.1555 174.3469 14 T 5.1020 9.0018 124.0701 61.7299 72.3355 173.4818 15 V 4.1854 8.5043 124.6370 61.2654 34.1395 175.5331 16 G 3.6848 9.4899 116.4252 46.4610 0.0000 173.7966 17 G 3.8710 8.4366 108.8792 44.6174 0.0000 173.8533 18 E 4.1090 7.8886 121.7888 55.1108 29.9539 175.2252 19 Q 4.4328 8.5939 128.2081 56.2881 29.6564 175.0840 20 I 4.3087 8.8568 127.4715 63.5319 38.1904 176.1196 21 S 4.7752 7.8108 113.6730 57.6909 66.2718 172.8812 22 A 5.1689 8.2431 120.6966 50.9045 21.9123 175.5404 23 I 4.6030 9.1002 114.4598 58.1622 41.4643 176.0967 24 G 4.2178 9.3503 117.0658 44.9482 0.0000 175.5953 25 R 4.2747 8.4398 124.1014 55.0765 31.3826 175.8589 26 G 4.4528 6.9473 109.7628 45.9360 0.0000 172.5926 27 I 5.1554 8.7366 124.8812 59.3618 41.8292 172.8456 28 C 5.1962 9.2097 129.7570 57.7930 33.6395 172.1926 29 V 4.8050 9.0777 126.8797 61.2099 33.6866 174.0238 30 L 4.9794 9.0484 129.0034 53.3547 43.5336 175.2058 31 L 4.6676 8.9964 127.4219 53.2525 44.3023 175.3081 32 G 4.2942 9.2990 115.3757 44.8475 0.0000 171.9013 33 I 4.7152 8.1969 128.2324 59.6421 39.0386 175.6845 34 S 4.9768 9.4946 122.3387 56.5443 65.1261 175.1288 35 L 3.8993 8.6323 121.8980 58.2945 41.4247 178.7508 36 E 4.3012 7.8302 114.1755 56.8044 29.8350 176.7687 37 D 4.4868 7.6224 119.8473 54.6741 41.4941 175.3013 38 T 4.8950 8.2072 115.5224 59.5938 71.1258 173.9200 39 Q 3.9438 8.7691 121.8104 58.9635 28.6843 177.8809 40 K 3.8942 8.1182 120.1962 59.8264 31.8562 178.4635 41 E 4.0173 8.2179 118.1747 59.0800 29.4623 178.6056 42 L 4.3867 8.2083 120.5416 58.7053 42.1519 179.0640 43 E 4.0116 8.5945 118.4803 59.7379 29.4017 179.1882 44 H 4.1764 8.7651 116.6421 59.0299 28.7418 177.5870 45 M 4.1511 8.8051 120.4911 58.4999 32.1327 178.1663 46 V 3.5478 7.9643 118.4912 66.3222 31.7586 178.1010 47 R 3.9213 7.9191 117.4361 59.3074 29.7816 179.2836 48 K 4.0137 8.1575 118.1105 59.4528 31.8380 179.5121 49 I 3.7614 7.7611 118.9617 64.5658 37.1416 178.3732 50 L 4.0565 8.1840 119.5772 56.8815 41.2032 178.1988 51 N 4.8775 7.6745 113.5177 51.6342 39.4373 174.7352 52 L 3.9790 7.4323 124.4249 55.2637 42.5595 176.3775 53 R 4.3462 8.5230 126.7809 55.2798 28.6315 176.6022 54 V 4.8097 8.0851 119.0543 61.2098 33.0502 175.6023 55 F 5.0268 8.3621 120.5105 55.8554 42.0054 174.9104 56 E 5.3964 8.9720 120.0853 55.2969 30.6913 176.4806 57 D 4.7226 7.9994 122.2896 52.2120 41.1940 176.3035 58 E 4.1084 8.6001 117.8036 59.6487 29.4846 179.1168 59 S 4.1156 8.0318 113.9520 60.1175 63.0143 175.1689 60 G 3.9923 8.2282 107.2980 44.6108 0.0000 173.4687 61 K 3.8763 8.1725 121.4995 56.7021 32.5898 176.1013 62 H 4.1851 8.4698 122.9611 55.9875 29.2995 174.3775 63 W 4.5135 8.0928 117.6418 57.7478 26.1970 175.3232 64 S 4.8110 8.3677 111.5557 57.8491 64.4622 174.0994 65 K 4.7937 7.7957 120.5421 53.9762 35.7833 176.1245 66 S 5.4688 9.4749 120.4660 56.5741 65.7275 175.6365 67 V 3.5927 8.5490 121.3531 65.5758 30.8240 178.2808 68 M 3.6640 7.3068 116.0195 57.8965 31.5238 178.2785 69 D 4.3375 7.6681 117.9227 57.1944 41.1231 178.4364 70 K 3.7189 7.5882 116.0730 55.7089 32.6360 176.5985 71 Q 3.8169 7.2955 116.3379 56.0326 26.7599 172.7220 72 Y 4.9566 7.9526 114.9812 57.3161 40.5889 175.5904 73 E 4.9624 8.7717 119.4814 55.4138 32.7791 175.6271 74 I 5.1881 8.8364 121.2238 59.7153 41.3162 174.3614 75 L 5.1158 9.2165 130.0480 53.8513 43.9104 174.5832 76 C 5.3992 9.2533 125.2456 58.3030 30.6893 173.2621 77 V 4.9201 8.9805 122.9890 60.8485 34.7076 174.6427 78 S 4.3570 8.3513 122.5787 58.5738 63.5853 174.5385 79 Q 4.3966 9.2072 125.1402 54.3621 29.6701 174.7808 80 F 4.2897 8.4355 119.5452 58.7167 38.5020 178.4399 81 T 3.8955 6.7843 110.7502 64.0972 68.6586 175.5361 82 L 4.0783 7.3486 121.3591 57.2172 42.0772 177.2956 83 Q 4.4253 7.8273 119.1749 55.5078 28.3570 175.2023 84 C 4.7556 7.7888 117.3689 57.4726 33.8465 172.4635 85 V 4.2525 8.2320 128.2614 60.6277 33.2537 177.1902 *86 L 4.7460 8.0570 125.6230 52.9901 40.4984 174.0888 87 K 4.1448 7.6886 122.1748 57.2881 34.1888 177.7446 88 G 3.6601 8.4804 113.9757 47.2957 0.0000 174.2040 89 N 4.8793 8.6712 117.4928 52.5585 40.7719 174.6585 90 K 4.2150 7.8240 118.0295 55.3546 33.6455 175.1378 91 P 4.1389 0.0000 0.0000 62.2339 32.1865 175.1355 92 D 4.6583 7.9127 120.8766 52.5455 43.8225 176.1472 93 F 4.9405 8.3823 123.7172 57.4550 39.7196 177.2283 94 H 4.2962 8.5453 119.2535 58.1338 28.4358 176.1851 95 L 4.0688 7.6032 120.9637 56.4605 42.4416 176.0067 96 A 4.6223 7.6392 120.4221 51.8666 19.0744 177.0953 97 M 4.2441 8.5821 122.3516 54.4940 32.9581 174.4548 98 P 4.3760 0.0000 0.0000 63.3848 32.0664 177.3897 99 T 4.0811 8.7420 112.5009 65.0567 68.1816 176.4789 100 E 3.9267 8.0483 120.2952 59.5153 29.8596 178.5080 101 Q 4.1340 8.0436 118.7336 58.8684 29.2902 177.4654 102 A 4.0638 8.4533 122.3716 55.0324 18.3028 179.2374 103 E 2.6410 8.1411 117.8890 58.9118 29.6022 179.1599 104 G 3.6555 7.9692 105.2379 47.7962 0.0000 175.0828 105 F 3.9754 8.4728 123.4376 61.0615 39.3869 176.2809 106 Y 4.3876 8.7275 119.5480 61.1018 38.6095 177.9096 107 N 4.2511 8.5803 117.4676 56.6007 38.7027 177.5368 108 S 4.0570 8.2096 116.4556 61.3957 62.8571 176.5419 109 F 3.9696 8.4821 123.6425 61.3665 39.1932 177.2092 110 L 3.8416 8.1627 118.9265 57.6963 41.3602 179.1889 111 E 3.8663 8.1886 119.3488 59.0966 29.5513 178.6918 112 Q 3.8570 8.0042 119.7472 58.8723 29.0820 177.9306 113 L 3.8376 7.4637 120.0130 58.0225 41.4687 179.8325 114 R 3.9232 7.7570 116.5408 59.1104 30.0878 179.0590 115 K 4.1241 7.9162 117.4242 59.9387 32.7487 178.9829 116 T 4.1438 7.8862 116.2384 64.9015 69.2140 174.8729 117 Y 5.0279 8.5132 120.0233 57.8120 38.9047 176.9341 118 R 4.7367 7.4194 116.7517 53.1226 32.9885 174.1294 119 P 4.2181 0.0000 0.0000 65.5541 31.5057 178.3462 120 E 4.0448 7.9731 114.1489 58.2517 29.8779 177.1979 121 L 4.3843 7.6416 118.5726 54.4870 42.0715 175.2200 122 I 4.9266 7.4857 120.6169 59.5313 38.7772 175.2732 123 K 4.8124 9.2926 126.5596 54.5884 35.6914 174.6744 124 D 5.4438 8.6046 120.6412 52.5522 44.5365 176.7207 125 G 4.0458 8.4551 111.7035 45.9005 0.0000 173.6652 126 K 4.6005 8.4768 124.0350 54.6077 33.4930 177.3082 127 F 3.7328 9.1604 129.4089 61.2667 39.3129 176.7960 128 G 3.7639 8.2441 105.0937 45.8745 0.0000 173.1360 129 A 4.4914 7.6880 122.9176 50.6248 20.5192 176.6283 130 Y 4.5713 8.4169 121.1721 57.4695 38.3647 174.5950 131 M 4.8467 8.4826 126.4669 53.6516 35.3212 175.4235 132 Q 4.4011 8.7422 120.5637 54.3454 31.1109 174.9454 133 V 4.5309 8.2867 124.9227 61.5805 32.7465 174.7997 134 H 4.5501 9.3803 127.6311 55.2516 29.7720 174.8592 135 I 4.5440 8.3506 124.6567 59.7081 39.6667 175.8345 136 Q 4.3329 8.6831 130.6496 54.5024 28.5744 172.4146 137 N 4.8519 8.4019 122.2725 53.2196 39.8194 173.8035 138 D 4.3624 10.0430 128.4422 55.7690 40.3941 174.9674 139 G 4.0403 8.6654 119.9937 45.0675 0.0000 169.9414 140 P 4.5225 0.0000 0.0000 61.5925 32.6813 175.6643 141 V 4.5552 9.1074 119.2470 61.6044 34.5046 174.4516 142 T 5.2280 8.5559 123.4745 62.0671 72.3129 173.2721 143 I 4.5592 9.0326 126.9002 59.4594 40.9788 174.2199 144 E 4.9029 8.7880 126.0452 55.2750 30.6607 175.5417 145 L 4.9314 8.9690 124.2862 53.0007 45.3911 175.1792 146 E 5.0512 8.6235 121.4829 55.0421 32.2985 174.4176 147 S 4.6012 8.7579 119.7579 59.0276 64.2034 173.5486 148 P 4.3270 0.0000 0.0000 64.4625 31.1768 175.3842 149 A 4.5580 7.7928 121.2309 49.6491 19.0569 174.1089 150 P 4.5028 0.0000 0.0000 63.5601 31.7287 176.4337 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 1 M 8.16 4.71 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 2 K 8.95 5.10 0.00 1.69 1.63 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.63 7.81 3 A 9.23 5.11 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.75 4.63 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 0.96 0.00 0.00 0.92 0.00 0.00 5 V 8.86 4.88 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 0.93 0.00 0.00 0.98 0.00 0.00 6 Q 9.03 5.15 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 7 R 8.79 4.52 0.00 1.79 1.78 0.00 2.89 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.50 0.00 8 V 9.03 5.12 2.34 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 0.97 0.00 0.00 1.08 0.00 0.00 9 T 8.68 4.27 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 1.22 0.00 0.00 10 R 8.02 4.97 0.00 1.96 2.00 0.00 3.16 0.00 0.00 3.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 11 A 8.67 5.14 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 12 S 8.96 4.94 0.00 3.96 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 13 V 8.74 4.93 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 0.95 0.00 0.00 0.97 0.00 0.00 14 T 9.00 5.10 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 15 V 8.50 4.19 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 0.96 0.00 0.00 0.93 0.00 0.00 16 G 9.49 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 17 G 8.44 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 18 E 7.89 4.11 0.00 2.05 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 0.00 2.29 2.24 0.00 19 Q 8.59 4.43 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 20 I 8.86 4.31 1.98 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 1.40 0.98 0.95 0.00 0.00 21 S 7.81 4.78 0.00 3.88 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 22 A 8.24 5.17 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 23 I 9.10 4.60 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.80 0.95 0.00 0.00 24 G 9.35 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 0.00 0.00 0.00 0.00 25 R 8.44 4.27 0.00 0.85 0.74 0.00 2.96 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.38 0.00 26 G 6.95 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.74 5.16 2.17 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 1.20 1.75 1.07 0.00 0.00 28 C 9.21 5.20 0.00 3.08 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 29 V 9.08 4.81 2.24 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 1.12 0.00 0.00 1.06 0.00 0.00 30 L 9.05 4.98 0.00 1.59 1.54 0.90 0.15 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 31 L 9.00 4.67 0.00 1.74 1.54 0.23 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.30 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 0.00 0.00 0.00 0.00 33 I 8.20 4.72 1.76 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.54 0.24 0.00 0.00 34 S 9.49 4.98 0.00 3.93 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 35 L 8.63 3.90 0.00 1.74 1.80 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.83 4.30 0.00 1.99 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 2.28 0.00 37 D 7.62 4.49 0.00 2.48 2.38 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 38 T 8.21 4.90 4.32 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 1.29 0.00 0.00 39 Q 8.77 3.94 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 40 K 8.12 3.89 0.00 1.87 1.81 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.48 7.81 41 E 8.22 4.02 0.00 2.18 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 2.48 2.51 0.00 42 L 8.21 4.39 0.00 1.98 1.96 0.38 0.98 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 43 E 8.59 4.01 0.00 2.12 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 2.32 2.51 0.00 44 H 8.77 4.18 0.00 3.45 3.42 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 M 8.81 4.15 0.00 2.44 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.72 0.00 46 V 7.96 3.55 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 0.86 0.00 0.00 0.50 0.00 0.00 47 R 7.92 3.92 0.00 2.05 1.95 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 48 K 8.16 4.01 0.00 2.02 1.89 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.59 7.81 49 I 7.76 3.76 2.09 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.68 1.01 0.00 0.00 50 L 8.18 4.06 0.00 1.69 1.56 0.88 0.33 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 51 N 7.67 4.88 0.00 2.83 2.84 0.00 0.00 6.95 7.44 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 52 L 7.43 3.98 0.00 1.98 1.60 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.52 4.35 0.00 2.01 2.04 0.00 3.17 0.00 0.00 3.61 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 54 V 8.09 4.81 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 -0.16 0.00 0.00 0.93 0.00 0.00 55 F 8.36 5.03 0.00 3.25 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 56 E 8.97 5.40 0.00 1.84 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 2.01 1.94 0.00 57 D 8.00 4.72 0.00 2.74 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 58 E 8.60 4.11 0.00 1.95 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 0.00 2.31 2.39 0.00 59 S 8.03 4.12 0.00 3.99 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 60 G 8.23 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 61 K 8.17 3.88 0.00 1.79 1.75 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.47 7.81 62 H 8.47 4.19 0.00 2.56 1.31 0.00 5.93 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 63 W 8.09 4.51 0.00 3.47 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 64 S 8.37 4.81 0.00 3.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.80 4.79 0.00 1.84 1.68 0.00 1.62 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.49 7.81 66 S 9.47 5.47 0.00 4.19 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 67 V 8.55 3.59 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 0.81 0.00 0.00 1.20 0.00 0.00 68 M 7.31 3.66 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.81 0.00 69 D 7.67 4.34 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 70 K 7.59 3.72 0.00 0.79 0.74 0.00 1.50 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.22 0.62 7.81 71 Q 7.30 3.82 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 72 Y 7.95 4.96 0.00 2.53 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 73 E 8.77 4.96 0.00 1.97 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 2.26 2.30 0.00 74 I 8.84 5.19 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.01 1.06 0.00 0.00 75 L 9.22 5.12 0.00 1.79 1.61 0.99 0.72 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 76 C 9.25 5.40 0.00 3.15 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.98 4.92 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 1.04 0.00 0.00 0.99 0.00 0.00 78 S 8.35 4.36 0.00 3.45 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 79 Q 9.21 4.40 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 80 F 8.44 4.29 0.00 3.19 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 81 T 6.78 3.90 4.16 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 0.34 0.00 0.00 82 L 7.35 4.08 0.00 1.63 1.76 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.83 4.43 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 84 C 7.79 4.76 0.00 3.07 2.89 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 85 V 8.23 4.25 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 0.81 0.00 0.00 0.92 0.00 0.00 *86 L 8.06 4.75 0.00 1.67 1.52 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.69 4.14 0.00 1.68 1.70 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.41 7.81 88 G 8.48 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.67 4.88 0.00 2.66 2.81 0.00 0.00 6.78 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 90 K 7.82 4.22 0.00 1.84 1.79 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.40 7.81 91 P 0.00 4.14 0.00 1.54 1.68 0.00 3.59 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 2.03 0.00 92 D 7.91 4.66 0.00 2.54 2.35 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 93 F 8.38 4.94 0.00 3.26 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 94 H 8.55 4.30 0.00 3.28 3.60 0.00 5.55 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.60 4.07 0.00 1.47 1.64 0.90 1.22 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 96 A 7.64 4.62 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 97 M 8.58 4.24 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 98 P 0.00 4.38 0.00 2.14 2.16 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 99 T 8.74 4.08 4.44 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 1.12 0.00 0.00 100 E 8.05 3.93 0.00 1.95 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 2.32 2.44 0.00 101 Q 8.04 4.13 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 102 A 8.45 4.06 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.14 2.64 0.00 1.35 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.49 0.00 104 G 7.97 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.47 3.98 0.00 3.24 3.20 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 0.00 106 Y 8.73 4.39 0.00 3.33 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.58 4.25 0.00 2.92 2.84 0.00 0.00 7.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.21 4.06 0.00 3.81 3.75 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 0.00 109 F 8.48 3.97 0.00 3.28 3.25 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 0.00 110 L 8.16 3.84 0.00 1.72 1.60 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.19 3.87 0.00 2.12 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 2.25 2.30 0.00 112 Q 8.00 3.86 0.00 2.09 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 113 L 7.46 3.84 0.00 1.74 1.60 0.97 0.84 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 0.00 114 R 7.76 3.92 0.00 1.87 1.95 0.00 3.12 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 115 K 7.92 4.12 0.00 1.90 2.01 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.44 7.81 116 T 7.89 4.14 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 1.19 0.00 0.00 117 Y 8.51 5.03 0.00 2.91 2.29 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 0.00 118 R 7.42 4.74 0.00 1.21 1.87 0.00 3.00 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.35 0.00 119 P 0.00 4.22 0.00 2.12 2.06 0.00 3.51 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 120 E 7.97 4.04 0.00 2.02 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 0.00 2.17 2.21 0.00 121 L 7.64 4.38 0.00 1.30 1.61 0.57 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.49 4.93 1.87 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.86 0.95 0.00 0.00 123 K 9.29 4.81 0.00 1.73 1.72 0.00 1.50 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.41 7.81 124 D 8.60 5.44 0.00 2.73 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 0.00 125 G 8.46 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 0.00 126 K 8.48 4.60 0.00 1.80 1.71 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.46 7.81 127 F 9.16 3.73 0.00 3.09 3.27 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 0.00 128 G 8.24 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.69 4.49 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 0.00 130 Y 8.42 4.57 0.00 2.78 2.89 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 0.00 131 M 8.48 4.85 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 132 Q 8.74 4.40 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.05 2.30 0.00 133 V 8.29 4.53 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 0.82 0.00 0.00 0.92 0.00 0.00 134 H 9.38 4.55 0.00 3.13 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.35 4.54 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 1.25 0.79 0.93 0.00 0.00 136 Q 8.68 4.33 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 137 N 8.40 4.85 0.00 2.79 2.74 0.00 0.00 7.17 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 D 10.04 4.36 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.67 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 0.00 140 P 0.00 4.52 0.00 2.21 2.08 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 141 V 9.11 4.56 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 1.15 0.00 0.00 142 T 8.56 5.23 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 1.25 0.00 0.00 143 I 9.03 4.56 1.83 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 1.14 1.01 0.85 0.00 0.00 144 E 8.79 4.90 0.00 1.82 1.86 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 2.24 2.31 0.00 145 L 8.97 4.93 0.00 1.56 1.55 0.97 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.62 5.05 0.00 1.91 1.75 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 2.19 2.50 0.00 147 S 8.76 4.60 0.00 3.98 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 0.00 148 P 0.00 4.33 0.00 2.08 2.13 0.00 3.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 149 A 7.79 4.56 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 0.00 150 P 0.00 4.50 0.00 2.30 2.14 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.