NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.3429 0.0000 0.0000 62.7995 32.1736 175.8616 8 Y 4.0582 7.5863 118.9008 56.6042 39.4612 175.0122 9 D 4.6886 8.4319 120.7777 53.1036 43.3522 178.8009 10 V 3.9760 8.4187 128.2753 64.8825 31.6377 178.4561 11 K 4.0407 8.1629 119.2676 59.1783 31.8921 178.9444 12 E 3.9736 8.4210 118.9911 59.2172 29.5913 178.4653 13 A 4.0916 8.2360 120.8847 55.1580 18.4394 179.4298 14 L 3.9963 8.1577 120.2067 57.5773 42.1995 179.1987 15 V 3.6259 7.9704 118.3051 65.9720 31.2291 177.7926 16 F 4.2809 8.1064 119.1528 61.6685 39.7583 176.8706 17 T 3.7458 8.2670 109.7618 64.8542 68.5118 176.1555 18 Q 4.1001 8.2183 122.3672 58.2944 28.9246 178.1905 19 K 3.7966 7.8932 117.9038 56.8854 31.9935 178.1231 *21 A 4.1830 7.9412 122.0758 51.7974 20.6901 179.6834 22 Q 3.9480 8.0504 116.1467 59.3461 29.0465 178.3703 23 L 3.9840 8.0427 120.1095 58.0026 41.6874 179.5813 24 S 4.1586 8.0190 112.5368 61.0332 62.2821 175.9338 25 K 4.0425 8.3301 122.2362 59.4809 32.1673 178.5697 26 A 4.0122 8.0155 121.0594 55.0869 18.2933 179.3613 27 L 3.9212 8.3264 119.0461 58.1102 42.2304 178.8734 28 W 4.4991 8.4496 128.3167 60.7445 30.6727 178.1106 29 K 3.6678 8.5164 118.6450 59.0226 31.4764 179.3970 30 S 3.9801 7.8896 113.2503 61.4983 62.3317 176.3214 31 I 3.6698 7.5826 122.4764 64.2617 36.8337 178.0094 32 E 3.4296 7.8969 120.4838 58.8122 29.2489 178.8011 33 K 3.8712 7.7595 119.5562 59.7696 32.3421 178.6204 34 D 4.4182 7.9916 118.8875 57.0038 40.7000 178.6297 35 W 4.6175 8.5706 129.5294 60.5282 30.5304 178.0384 36 Q 4.1415 8.2593 116.6726 58.8516 28.3723 177.7245 37 Q 4.1532 8.2684 121.9940 58.8147 28.8520 177.9122 38 W 4.4913 8.2856 128.6261 60.2403 31.2444 177.0636 39 L 4.4432 8.0575 116.6380 54.5529 41.0306 178.3014 40 K 3.9166 7.6904 121.2318 59.3220 32.2822 176.2455 41 P 4.1902 0.0000 0.0000 64.6329 31.4104 175.7258 42 Y 4.6038 7.2681 114.7056 55.8489 39.9790 175.3190 43 D 4.5152 8.7369 119.7344 56.6105 41.6318 176.3502 44 L 4.5425 7.7946 118.7248 54.1614 42.6730 176.6826 45 N 4.6701 8.7692 120.9198 51.5154 40.2063 176.5720 46 I 2.9514 7.7327 120.5135 64.5305 37.0383 178.4621 47 N 4.2050 7.7604 116.4616 56.1762 38.2808 177.2140 48 E 3.8677 8.4601 120.6343 59.3466 29.4800 178.6655 49 H 4.3209 8.3029 118.4685 59.5460 29.9472 176.8398 50 H 4.5173 8.6467 120.3115 59.3173 29.7211 177.1048 51 I 3.7644 7.9493 121.6358 64.5262 36.9359 178.0458 52 L 3.9443 7.9826 119.5523 57.8036 41.5368 179.3676 53 W 4.2430 8.8063 128.3434 60.7687 30.6056 178.0838 54 I 3.7275 8.2653 119.3517 64.2506 36.5081 178.0108 55 A 3.9114 8.0646 121.7016 55.4155 18.2920 179.0341 56 Y 3.7017 7.8476 117.8201 60.8654 38.6509 178.3402 57 Q 3.5699 7.7598 118.8278 58.4734 28.6255 178.0864 58 L 4.1601 7.6413 116.6265 53.6796 42.8885 176.0006 59 N 3.8427 8.3500 114.5007 54.0692 36.1842 175.3938 60 G 4.2958 9.0684 104.6904 45.5709 0.0000 172.8665 61 A 4.9951 8.2634 125.2156 49.3215 22.5176 175.7050 62 S 4.6111 9.6992 117.1793 58.1688 65.1742 175.9745 63 I 3.8648 8.0680 124.0288 64.4035 36.7344 179.0372 64 S 4.1573 8.0216 114.9876 61.2070 63.0371 176.1864 65 E 3.9096 8.1213 121.8217 59.3276 29.2425 179.3435 66 I 3.8336 7.9631 119.6272 64.1998 36.8451 178.2252 67 A 4.0264 8.2720 121.7563 55.3490 18.0562 179.1819 68 K 3.8912 8.0963 116.8997 60.0687 32.3170 178.2214 69 F 4.5655 8.5861 118.2983 59.9459 39.1109 176.8878 70 G 3.5929 8.2126 107.6085 44.8723 0.0000 172.6343 71 V 3.1382 7.2465 121.5381 63.4215 29.6873 171.4281 *73 H 4.5762 7.8358 120.6235 54.8662 31.3596 173.9716 74 V 3.8236 8.1972 115.6884 64.1445 31.3041 179.1994 75 S 4.1706 8.0635 114.1797 61.9471 63.1358 176.5749 76 T 3.8165 7.9640 119.0921 65.6982 68.3063 176.6798 77 A 4.0814 8.0915 122.7255 55.2702 18.5699 179.4334 78 F 4.1744 8.5743 119.4461 61.3489 39.4412 176.8141 79 N 4.2140 8.3114 116.6206 56.9593 38.8774 177.0363 80 F 4.5584 8.6140 119.3984 60.3942 38.8556 178.0250 81 S 4.2126 8.1896 114.9492 61.5619 62.4620 176.6573 82 K 3.7856 7.6957 119.6874 59.4275 31.9427 178.9136 83 K 4.0419 8.0036 118.5815 59.8201 32.0551 179.3574 84 L 3.9950 8.0143 118.9223 57.7028 41.4262 179.1714 85 E 4.6152 8.7128 120.9415 58.3217 29.3681 177.9039 86 E 4.3132 7.7381 116.6436 57.0626 30.0831 177.4598 87 R 4.1965 7.6569 116.5217 54.9638 30.7572 175.9518 88 G 3.8943 7.4470 106.9248 47.1462 0.0000 174.2530 89 Y 4.9676 7.9982 117.9988 58.0024 40.2075 175.8150 90 L 5.3360 7.8895 120.3189 53.1301 46.2924 174.8571 91 R 5.0051 8.9716 124.5183 54.6282 33.3511 174.3027 92 F 5.1065 8.9879 123.3484 56.7331 40.5829 175.0212 93 S 4.9014 8.8353 116.1566 56.9589 67.9572 173.1960 94 K 4.5558 8.6480 120.5175 54.9334 33.9197 176.0185 *102 T 4.2180 8.3157 115.0581 61.8339 70.5404 173.1793 103 Y 5.1075 8.1629 120.8532 56.9822 40.8435 174.7037 104 V 5.1144 8.7519 112.7593 59.1042 36.3205 175.0266 105 Q 4.7341 8.0765 119.9709 54.2410 33.4236 173.9867 106 L 4.5408 8.3740 123.1871 55.2310 42.4582 177.3278 107 T 4.2399 8.5922 114.3567 60.5151 70.8191 175.2867 108 E 3.7216 8.7942 121.1632 59.4822 29.2747 178.5399 109 E 4.0378 8.1464 118.2438 59.1171 29.6758 179.0732 110 G 3.4174 7.8166 105.5181 48.1799 0.0000 175.6035 111 T 3.3481 8.1328 119.1373 65.8354 68.3546 176.2006 112 E 3.8876 7.7602 120.8844 59.4484 29.6397 179.1604 113 V 3.5556 7.7083 118.2960 65.5474 31.5198 177.8512 114 F 3.8323 8.2450 120.9896 60.9943 39.3141 177.0549 115 W 4.4181 8.6963 119.5241 59.9359 28.8595 178.6822 116 S 4.2449 8.3326 114.0952 61.3765 62.1832 176.3208 117 L 3.7695 7.1231 121.3605 57.6930 41.0764 179.3759 118 L 4.3454 7.5568 118.0481 57.8342 41.2365 179.4969 119 E 4.1253 8.2281 118.0611 59.1738 29.5430 178.4167 120 E 4.4458 8.2748 116.1987 56.1891 29.7625 176.6903 121 F 3.7804 7.6617 121.9862 58.0157 39.7409 173.8562 122 D 4.1885 7.4701 127.9028 51.1723 42.4615 174.2393 123 P 3.4394 0.0000 0.0000 65.2481 31.2830 178.7405 124 T 3.9145 7.1044 108.1547 63.7549 68.6509 175.0189 125 R 4.4060 7.3676 120.0710 55.7520 30.4272 175.4344 126 N 4.9950 7.8609 117.1911 51.5491 41.3984 175.0188 127 A 4.0064 9.9522 131.3154 55.2379 18.3484 179.8826 128 V 3.5936 7.7565 115.4757 65.8616 32.0813 177.4850 129 F 4.2428 8.9595 120.8739 61.3848 39.3610 177.1778 130 K 3.9809 8.4595 118.0688 59.5517 31.7277 179.6496 131 G 3.7439 8.4796 104.5806 47.0185 0.0000 174.7544 132 S 4.7103 7.6829 115.4834 58.6118 63.2869 175.9808 133 Q 3.8197 7.7035 122.1434 58.4409 28.4858 176.7266 134 P 4.2482 0.0000 0.0000 65.6232 31.3369 178.5112 135 L 4.1388 7.9838 117.1734 58.1283 41.5313 178.7930 136 Y 4.2581 8.3191 121.0445 60.3272 38.4061 177.6845 137 H 4.1357 8.4982 118.6991 59.0280 30.0610 176.8183 138 L 3.8323 7.7015 120.8424 58.0696 42.1254 178.4400 139 F 4.4789 8.1964 115.1412 57.1209 39.3082 177.1190 140 G 3.5922 9.1098 106.7293 45.0831 0.0000 172.8376 141 K 3.8552 6.6009 117.2121 55.1169 35.2167 174.9113 142 F 4.6810 8.5517 118.4355 56.3607 39.4742 174.0302 143 P 4.3465 0.0000 0.0000 62.8470 31.6473 176.6212 144 E 3.9759 8.7225 120.6766 57.8420 29.9358 177.3883 145 V 3.3029 7.8318 110.1922 61.9187 29.3129 173.7767 146 A 4.0854 8.0548 122.7265 55.5098 19.0293 179.4829 147 E 4.2325 7.7875 114.9686 57.0140 26.8655 176.3664 *150 C 4.3570 7.7985 117.8966 59.2188 33.7900 175.1660 *152 I 4.2965 7.7109 120.3944 60.9896 38.8700 178.0240 153 R 4.1233 8.0538 119.7970 59.6685 30.0433 177.4865 154 H 4.5312 8.0396 112.3924 57.0821 29.2829 176.3421 155 I 3.9983 7.8008 119.7153 63.4819 37.5853 176.3880 156 Y 4.0413 8.5392 115.0055 57.2941 38.0934 177.0746 157 G 4.1928 8.3416 105.4980 45.1171 0.0000 174.3715 158 D 4.5145 8.6407 118.5866 57.4365 41.0584 178.2611 159 D 4.6166 8.2507 117.8796 57.4253 40.6856 178.5809 160 F 4.4001 8.0976 119.2183 58.5511 38.8367 176.4457 *162 E 4.3620 8.2334 120.2800 55.7332 31.5479 177.9085 163 I 3.2641 7.1337 117.6640 63.5417 37.3578 177.5030 164 F 4.2996 8.0642 117.6230 59.5977 38.8355 176.9750 165 E 4.0454 8.1443 118.4937 59.0446 29.4484 178.7911 166 T 3.8113 7.6436 114.4517 66.7144 68.6516 176.5978 167 S 4.6742 7.6127 116.9871 60.8512 62.8640 176.2054 168 L 4.1244 7.3206 121.0010 58.2479 41.5139 177.3280 169 T 4.0670 8.0334 119.2008 63.8944 68.3809 174.6252 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 7 P 0.00 4.34 0.00 2.15 2.14 0.00 3.76 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 1.88 1.96 0.00 8 Y 7.59 4.06 0.00 3.19 3.02 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 0.00 0.00 0.00 9 D 8.43 4.69 0.00 2.77 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 10 V 8.42 3.98 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 0.90 0.00 0.00 1.08 0.00 0.00 11 K 8.16 4.04 0.00 1.95 1.93 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.48 7.81 12 E 8.42 3.97 0.00 2.24 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 0.00 2.40 2.40 0.00 13 A 8.24 4.09 1.43 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 0.00 0.00 0.00 14 L 8.16 4.00 0.00 1.90 1.89 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.97 3.63 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 1.00 0.00 0.00 1.04 0.00 0.00 16 F 8.11 4.28 0.00 3.00 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 17 T 8.27 3.75 4.20 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 1.31 0.00 0.00 18 Q 8.22 4.10 0.00 2.15 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.11 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 19 K 7.89 3.80 0.00 1.95 1.92 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.47 7.81 *21 A 7.94 4.18 1.34 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 0.00 0.00 22 Q 8.05 3.95 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 23 L 8.04 3.98 0.00 1.72 1.72 0.95 0.92 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 24 S 8.02 4.16 0.00 3.91 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.33 4.04 0.00 2.00 2.00 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.56 7.81 26 A 8.02 4.01 1.43 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 0.00 0.00 0.00 27 L 8.33 3.92 0.00 1.91 1.79 0.98 1.01 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 28 W 8.45 4.50 0.00 3.50 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 29 K 8.52 3.67 0.00 1.77 1.79 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.72 1.63 7.81 30 S 7.89 3.98 0.00 4.00 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 31 I 7.58 3.67 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.57 1.04 0.00 0.00 32 E 7.90 3.43 0.00 1.16 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 2.07 2.00 0.00 33 K 7.76 3.87 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.46 7.81 34 D 7.99 4.42 0.00 2.77 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 35 W 8.57 4.62 0.00 3.57 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 36 Q 8.26 4.14 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.74 0.00 0.00 0.00 0.00 0.00 2.66 2.37 0.00 37 Q 8.27 4.15 0.00 2.41 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 38 W 8.29 4.49 0.00 3.50 3.57 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 39 L 8.06 4.44 0.00 1.78 1.77 0.78 0.04 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 40 K 7.69 3.92 0.00 1.95 2.01 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.23 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.52 7.81 41 P 0.00 4.19 0.00 1.50 1.86 0.00 4.02 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 42 Y 7.27 4.60 0.00 3.03 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.74 4.52 0.00 2.72 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 44 L 7.79 4.54 0.00 1.63 1.55 0.76 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.77 4.67 0.00 2.85 2.88 0.00 0.00 6.92 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.73 2.95 1.49 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.11 -0.00 0.00 0.00 47 N 7.76 4.20 0.00 2.36 2.62 0.00 0.00 7.10 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 48 E 8.46 3.87 0.00 1.95 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 2.13 1.65 0.00 49 H 8.30 4.32 0.00 3.17 3.56 0.00 5.61 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 50 H 8.65 4.52 0.00 3.50 3.45 0.00 5.67 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 51 I 7.95 3.76 2.06 0.00 0.00 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 1.61 0.72 0.96 0.00 0.00 52 L 7.98 3.94 0.00 2.12 1.77 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.81 4.24 0.00 3.74 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.27 3.73 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.75 1.01 0.00 0.00 55 A 8.06 3.91 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 56 Y 7.85 3.70 0.00 2.12 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 57 Q 7.76 3.57 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.54 0.00 0.00 0.00 0.00 0.00 1.93 2.30 0.00 58 L 7.64 4.16 0.00 1.61 1.70 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.35 3.84 0.00 2.81 2.73 0.00 0.00 7.24 7.53 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 60 G 9.07 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.26 5.00 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 62 S 9.70 4.61 0.00 3.81 3.71 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 63 I 8.07 3.86 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.61 1.09 0.00 0.00 64 S 8.02 4.16 0.00 4.02 4.10 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 0.00 0.00 0.00 0.00 65 E 8.12 3.91 0.00 2.39 2.32 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 2.54 2.44 0.00 66 I 7.96 3.83 2.10 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 1.75 1.15 1.00 0.00 0.00 67 A 8.27 4.03 1.43 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 0.00 0.00 0.00 68 K 8.10 3.89 0.00 1.69 1.44 0.00 1.42 0.00 0.00 0.98 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.42 7.81 69 F 8.59 4.57 0.00 3.17 2.94 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 70 G 8.21 3.59 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 71 V 7.25 3.14 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 0.80 0.00 0.00 1.04 0.00 0.00 *73 H 7.84 4.58 0.00 3.26 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.20 3.82 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 0.86 0.00 0.00 0.93 0.00 0.00 75 S 8.06 4.17 0.00 4.06 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 76 T 7.96 3.82 4.41 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 1.26 0.00 0.00 77 A 8.09 4.08 1.49 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 0.00 0.00 78 F 8.57 4.17 0.00 3.26 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 79 N 8.31 4.21 0.00 3.21 2.63 0.00 0.00 7.25 7.80 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 80 F 8.61 4.56 0.00 3.28 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 81 S 8.19 4.21 0.00 4.21 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 82 K 7.70 3.79 0.00 1.71 1.70 0.00 1.37 0.00 0.00 1.46 0.00 0.00 2.71 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.65 0.83 7.81 83 K 8.00 4.04 0.00 2.16 1.98 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.42 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.52 1.52 7.81 84 L 8.01 3.99 0.00 1.97 1.80 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.71 4.62 0.00 2.51 2.18 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 2.42 2.65 0.00 86 E 7.74 4.31 0.00 2.00 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 2.25 2.54 0.00 87 R 7.66 4.20 0.00 1.04 1.37 0.00 3.12 0.00 0.00 3.16 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.72 0.00 88 G 7.45 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 0.00 0.00 0.00 89 Y 8.00 4.97 0.00 2.88 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 90 L 7.89 5.34 0.00 1.76 1.45 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.97 5.01 0.00 1.84 1.70 0.00 3.34 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 92 F 8.99 5.11 0.00 2.98 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 93 S 8.84 4.90 0.00 3.83 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 94 K 8.65 4.56 0.00 1.66 1.79 0.00 1.82 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.48 7.81 *102 T 8.32 4.22 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 1.30 0.00 0.00 103 Y 8.16 5.11 0.00 3.01 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 0.00 104 V 8.75 5.11 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 -0.35 0.00 0.00 0.87 0.00 0.00 105 Q 8.08 4.73 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.10 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 106 L 8.37 4.54 0.00 1.36 1.41 0.42 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.59 4.24 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 108 E 8.79 3.72 0.00 2.01 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 2.32 2.35 0.00 109 E 8.15 4.04 0.00 2.46 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 2.50 2.48 0.00 110 G 7.82 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 0.00 0.00 0.00 111 T 8.13 3.35 3.78 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 -0.48 0.00 0.00 112 E 7.76 3.89 0.00 2.06 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 2.32 2.35 0.00 113 V 7.71 3.56 1.45 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 0.63 0.00 0.00 0.72 0.00 0.00 114 F 8.25 3.83 0.00 2.97 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 0.00 115 W 8.70 4.42 0.00 3.38 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 0.00 116 S 8.33 4.24 0.00 4.20 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.12 3.77 0.00 1.14 0.88 0.01 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.56 4.35 0.00 1.80 1.72 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.23 4.13 0.00 2.21 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 2.35 2.52 0.00 120 E 8.27 4.45 0.00 2.41 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 2.48 2.44 0.00 121 F 7.66 3.78 0.00 2.89 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 0.00 122 D 7.47 4.19 0.00 2.48 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 0.00 0.00 0.00 0.00 123 P 0.00 3.44 0.00 0.49 1.33 0.00 3.11 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.35 0.00 124 T 7.10 3.91 4.18 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 1.06 0.00 0.00 125 R 7.37 4.41 0.00 1.67 1.87 0.00 3.05 0.00 0.00 3.08 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 126 N 7.86 4.99 0.00 2.50 2.73 0.00 0.00 7.12 7.53 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 0.00 127 A 9.95 4.01 1.32 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 0.00 128 V 7.76 3.59 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 0.96 0.00 0.00 129 F 8.96 4.24 0.00 3.00 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 0.00 130 K 8.46 3.98 0.00 1.88 1.86 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.77 7.81 131 G 8.48 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 0.00 0.00 0.00 132 S 7.68 4.71 0.00 4.19 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 0.00 133 Q 7.70 3.82 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 134 P 0.00 4.25 0.00 2.17 2.10 0.00 3.76 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 2.11 2.16 0.00 135 L 7.98 4.14 0.00 1.99 1.92 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 8.32 4.26 0.00 2.78 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 0.00 137 H 8.50 4.14 0.00 3.19 3.48 0.00 6.01 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.70 3.83 0.00 1.48 1.20 0.70 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.20 4.48 0.00 3.03 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 9.11 3.59 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 0.00 141 K 6.60 3.86 0.00 1.87 1.74 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.37 7.81 142 F 8.55 4.68 0.00 3.24 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 0.00 143 P 0.00 4.35 0.00 2.20 2.09 0.00 4.17 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 2.11 2.11 0.00 144 E 8.72 3.98 0.00 1.90 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 2.30 2.29 0.00 145 V 7.83 3.30 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 0.67 0.00 0.00 0.93 0.00 0.00 146 A 8.05 4.09 1.32 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 0.00 147 E 7.79 4.23 0.00 2.00 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 2.33 2.31 0.00 *150 C 7.80 4.36 0.00 3.11 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 *152 I 7.71 4.30 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 1.13 0.00 0.00 153 R 8.05 4.12 0.00 1.93 2.14 0.00 3.19 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 154 H 8.04 4.53 0.00 3.17 3.36 0.00 5.89 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.80 4.00 2.07 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 1.37 0.54 0.42 0.00 0.00 156 Y 8.54 4.04 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 G 8.34 4.19 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 0.00 158 D 8.64 4.51 0.00 2.74 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 0.00 159 D 8.25 4.62 0.00 2.73 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 0.00 160 F 8.10 4.40 0.00 3.31 3.39 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 *162 E 8.23 4.36 0.00 2.40 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 2.35 2.39 0.00 163 I 7.13 3.26 0.88 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.81 0.12 0.00 0.00 164 F 8.06 4.30 0.00 3.17 3.05 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 0.00 165 E 8.14 4.05 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 166 T 7.64 3.81 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 1.08 0.00 0.00 167 S 7.61 4.67 0.00 3.97 4.11 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 0.00 168 L 7.32 4.12 0.00 1.85 1.73 1.00 0.91 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 0.00 169 T 8.03 4.07 4.18 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 1.18 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.