NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 R 4.2137 8.0976 120.8483 56.7835 31.8108 177.0703 22 H 4.1396 8.0759 110.4308 55.6885 29.3109 171.0489 23 V 3.6794 8.3881 122.1871 65.9946 32.6936 179.3141 24 R 4.1205 7.4784 114.3555 57.3831 29.6329 178.1668 *26 L 4.0118 8.0148 119.5412 54.9422 43.6028 179.1775 27 E 3.9204 8.3763 117.9691 59.3167 29.3175 179.2888 28 A 3.9220 8.3297 120.8657 54.7496 18.4217 179.7043 29 A 3.7630 7.5888 119.0689 55.3465 18.5435 179.5580 30 I 3.7296 7.5900 118.3540 64.6156 36.6703 178.2707 31 E 3.9378 8.3633 119.4040 59.7794 29.4186 179.6831 32 L 4.0702 8.1860 118.4848 57.5458 41.4534 179.1922 33 A 4.3085 7.9047 119.2675 54.6103 18.6202 179.3643 34 T 4.0313 7.8402 114.0877 65.5031 68.6187 175.1229 35 E 4.5366 7.5892 115.4466 56.0095 30.8796 175.8221 36 K 4.6506 7.6410 117.6818 54.3543 36.4340 175.7668 37 E 4.2005 8.3768 118.8144 55.3676 30.8073 177.3250 38 L 3.6263 8.5818 121.1724 58.4177 41.8442 178.7520 39 A 4.2605 7.9158 117.5773 53.5574 18.3419 177.5301 40 R 4.5301 7.9901 113.9778 56.0900 32.2527 177.1985 41 V 4.0720 7.3587 111.9422 61.4250 33.0378 175.4757 42 Q 4.5470 8.4209 124.2914 55.9463 29.7165 177.6753 *44 H 4.6457 8.7959 116.6949 56.6867 30.5115 175.6160 45 E 3.8136 7.7473 119.1680 59.2004 29.1301 179.3780 46 V 3.5276 8.3901 118.3815 65.6386 31.4177 178.0052 47 A 3.9709 7.6604 120.2854 54.7769 18.6193 179.3009 48 K 3.8642 8.0050 118.2503 59.6306 32.0388 179.0938 49 R 3.8841 7.5546 117.8620 59.2917 30.1217 178.1259 50 A 4.0697 7.5999 119.7821 52.6819 19.2320 176.9011 51 G 3.5725 7.9323 103.8690 46.4086 0.0000 172.3032 52 V 4.4417 7.9890 116.1921 60.4273 35.7587 174.0818 53 A 4.2576 8.3241 124.8812 51.5012 19.0436 178.5428 54 I 3.6022 8.7199 123.1387 64.8165 37.1158 178.4914 55 G 3.8415 8.1531 106.1833 47.3289 0.0000 175.7419 56 T 4.1279 8.3497 112.8035 64.3568 68.9417 176.4689 57 L 4.0300 7.9707 122.6836 58.5841 41.9185 178.5429 58 Y 4.2303 7.5456 115.2852 61.0544 37.8082 178.5434 59 R 3.9793 7.7496 118.5969 59.0393 30.1939 177.3047 60 Y 4.2191 7.3529 114.7536 58.1225 39.1257 175.5349 61 F 4.8499 8.8294 119.2268 55.1614 40.4061 172.6340 62 P 4.9859 0.0000 0.0000 62.3305 31.3343 177.0065 63 S 4.7837 7.8828 112.6642 56.9580 66.9801 176.6577 64 K 3.9594 8.5594 123.5739 60.3610 31.7372 179.0538 65 T 4.0139 8.0239 115.3031 67.0353 68.4831 176.2069 66 H 4.2129 8.2236 117.9049 58.7525 28.6342 177.6999 67 L 3.2604 7.9525 122.1562 58.0594 41.7118 179.0331 68 F 4.1149 8.1981 116.4966 60.0192 38.9592 177.8041 69 V 3.7919 8.0126 117.5544 65.7036 31.5836 177.6116 70 A 4.2482 8.0033 120.6340 55.0551 17.7884 180.8770 71 V 3.5947 7.6763 115.4920 63.3993 31.6782 178.0473 *73 V 4.0405 7.7423 117.3326 62.4575 32.9727 176.7428 74 D 4.3970 8.0878 117.5610 57.0516 40.7944 177.0260 75 Q 4.2855 7.8000 118.1888 57.6664 29.5841 177.6487 76 I 3.9573 7.7561 117.9068 64.2102 37.3115 176.4951 77 D 4.5491 7.8992 117.5473 55.3507 41.3635 176.6857 78 R 4.1682 7.1535 121.1930 54.4030 28.9163 175.7552 *88 P 4.1277 0.0000 0.0000 62.4123 31.9357 174.7821 89 P 4.3651 0.0000 0.0000 63.4895 31.9342 177.4798 90 G 4.1108 8.3713 104.7577 45.0878 0.0000 173.2170 91 E 4.3214 7.8277 117.6220 55.2642 30.9136 176.6836 92 S 4.5826 8.2690 114.1253 56.8886 65.5600 172.9867 93 P 4.1954 0.0000 0.0000 66.2707 31.0678 178.6945 94 Q 4.0128 8.1468 115.8496 59.3533 28.6770 178.8111 95 D 4.4125 8.0074 118.9842 57.2083 40.9223 178.6567 96 A 4.0599 8.2711 121.6413 54.6297 18.4246 179.9248 97 V 3.3769 8.0744 117.2385 66.2944 31.7566 177.2573 98 Y 4.1773 8.1887 119.6143 61.0647 38.5289 177.9245 99 N 4.0822 8.2335 116.9406 56.5395 38.8096 177.5771 100 V 3.4958 7.4697 118.8216 65.9103 31.5779 178.0906 101 L 3.6864 7.7463 118.7570 57.2641 41.2477 179.6545 102 V 3.5223 7.3737 118.2731 65.5863 31.3775 177.6615 103 R 3.8273 7.8660 118.3636 59.8128 29.7551 178.1492 104 A 4.0853 7.8975 119.6919 55.4134 18.4306 179.4043 105 T 4.0752 8.7544 114.7135 67.2935 68.6559 176.9413 106 R 4.0447 8.4658 120.0286 59.1833 29.8612 179.3648 107 G 3.6763 8.1958 104.7562 47.8212 0.0000 175.4217 108 L 4.2704 8.1640 122.8315 57.0733 41.4684 179.4971 109 L 4.1195 8.0402 117.5622 56.8787 41.7081 178.6440 110 R 4.2163 7.7650 117.1643 57.1925 31.6319 176.5312 111 R 4.6750 7.6505 116.4904 53.4202 31.2245 173.5819 112 P 4.1377 0.0000 0.0000 65.7913 31.5776 178.5193 113 A 3.8437 7.8108 119.8232 54.9308 18.2339 179.2644 114 L 3.8641 7.6970 116.8254 58.3533 42.3574 178.8011 115 S 4.2023 8.3070 115.4196 61.8131 62.6287 176.3725 116 T 3.7854 8.3049 118.5514 66.6102 68.2967 175.9947 117 A 3.6189 7.5700 121.1046 53.8613 18.9291 178.8562 *119 I 3.9999 7.6419 120.9692 62.2684 39.3362 178.1048 120 Q 3.9430 8.2451 119.2653 59.2722 28.6131 178.7638 121 S 4.1515 7.8253 115.4999 62.3330 62.6514 177.2970 122 T 4.0427 7.7862 117.0424 66.5922 68.4937 176.7229 123 S 4.3222 8.4020 115.4741 61.5767 63.1944 176.1113 124 T 4.1490 8.1844 116.2364 63.4153 67.2032 174.6052 125 A 4.0355 7.3831 123.9963 51.9046 18.7132 176.8772 126 N 4.6044 8.6816 122.2062 52.8899 40.6048 175.7300 127 V 3.5685 8.4047 128.2526 65.1495 31.6016 177.7936 128 A 4.1335 7.8770 120.5527 54.8759 18.1865 179.6191 129 S 4.4730 8.1919 111.9700 60.3377 64.0555 175.4581 130 V 4.1842 7.4060 125.3154 58.6141 30.4626 174.7684 131 P 3.7817 0.0000 0.0000 65.0760 31.3510 177.1180 132 D 4.4606 8.0824 118.7922 57.2898 41.1002 179.2552 133 A 4.1445 8.3931 122.1649 55.1900 18.3357 179.4421 134 G 3.8368 7.9993 103.9697 48.2324 0.0000 175.5473 135 K 4.2364 7.7127 118.3680 57.6676 31.9707 179.2319 136 V 3.9250 7.9993 113.8208 64.0026 31.6957 177.4246 137 D 4.4051 8.4210 119.2450 57.0017 40.6191 178.5232 138 R 3.9162 8.0788 117.3926 59.7391 30.3165 178.8605 139 A 4.0312 7.7657 119.1336 55.2321 18.2476 179.5340 140 F 4.3718 8.2353 117.9947 61.0100 39.4668 177.0311 141 R 3.9994 8.4287 118.4060 59.6382 30.1705 178.2414 142 Q 4.1819 8.0651 118.0165 58.4571 28.8601 178.9231 143 I 3.9643 7.5391 114.2554 61.0324 37.7969 178.1199 *145 L 4.2254 7.9580 122.0308 56.0621 43.6247 179.2097 146 D 4.2638 8.6224 117.4869 57.2184 40.8457 177.8473 147 A 4.0006 7.7649 120.6884 54.4826 18.6403 178.2835 148 A 4.1355 7.6484 117.7400 53.8575 19.6396 178.2209 149 G 4.0381 8.0662 104.3843 45.8924 0.0000 172.4541 150 I 4.1789 8.5690 123.1411 61.9883 40.0056 176.4469 151 E 3.7800 9.1919 114.7617 57.4401 28.4718 173.4612 152 H 4.0914 7.8746 114.0935 57.6265 28.3128 172.6261 153 P 4.4968 0.0000 0.0000 62.2636 32.1738 175.6168 154 T 4.2049 8.9776 109.3716 60.8656 69.7118 175.2741 155 E 3.9399 8.8542 123.2403 59.6444 29.4123 179.0661 156 E 3.9593 8.1261 117.1196 59.2825 29.7159 178.5935 157 D 4.3521 8.0069 119.8698 57.2037 40.6242 178.8240 158 L 3.9553 7.8310 118.5831 58.1422 41.7841 179.1698 159 T 3.9350 8.0624 115.5844 66.8334 68.4717 176.1149 160 A 3.9881 8.0919 122.1372 55.3336 18.3554 179.6957 161 L 3.9244 8.0219 117.3350 57.8204 41.7140 179.6139 162 R 3.8992 9.0590 119.5282 59.4558 30.0317 178.4096 163 L 3.9900 8.3764 118.9070 57.8737 41.7270 179.0964 164 L 4.0637 8.4148 120.7777 58.3881 41.9423 179.5030 165 V 3.9805 8.2208 119.4066 64.9291 31.4049 178.3449 166 Q 4.1848 8.4392 118.3711 58.4089 28.5313 178.1517 167 L 4.1488 8.2638 122.1490 57.9686 40.7106 178.8860 168 W 4.2451 8.4749 129.5200 60.4288 30.6364 177.2289 169 F 3.6108 8.6052 120.8188 61.6418 38.6966 177.6582 170 G 3.5997 7.9198 104.3414 47.4736 0.0000 175.8564 171 V 3.5318 7.8019 120.5154 65.8818 31.5435 178.0511 172 I 3.3552 7.6365 119.7416 64.3751 36.7724 178.2812 173 Q 3.7352 7.8670 118.9253 59.0342 28.5526 178.9951 174 S 4.0447 8.1492 116.3590 61.8505 62.8707 176.4993 175 C 4.1656 8.1570 121.0960 62.6829 31.1692 175.3182 176 L 3.9044 7.8405 119.4525 57.8934 41.2208 178.4667 177 N 4.7230 7.9865 113.7730 52.6347 38.5639 175.9706 178 G 3.9199 7.9003 107.9953 46.1260 0.0000 175.4621 179 R 4.1348 7.9036 119.5234 57.9931 30.4060 177.3507 180 V 4.5167 7.3026 109.4043 58.2594 35.7827 175.7515 181 S 4.3663 8.4058 118.0007 58.0303 65.0245 175.3940 182 I 3.6897 8.2864 123.4522 64.4888 36.8007 176.9965 183 P 4.3547 0.0000 0.0000 65.5092 31.2821 178.4728 184 D 4.3390 8.1945 117.7622 57.0468 40.5999 178.4914 185 A 4.0106 8.0899 121.3489 55.2471 18.3406 179.3871 186 E 4.0777 8.2770 116.9286 59.9928 29.5743 179.7316 187 S 4.1318 8.3805 115.1748 61.9209 62.8498 176.7136 188 D 4.4140 8.0962 121.4964 57.1867 40.6681 178.8544 189 I 3.9599 8.3407 114.1251 63.9305 37.7715 178.3035 190 R 3.6785 8.4963 120.8300 59.1454 29.7922 178.5067 191 R 3.9154 8.3355 118.5253 59.1677 30.1201 178.3117 192 A 4.0847 8.3015 120.7009 55.0118 18.3054 179.4749 193 C 4.0813 8.2354 115.5126 63.2979 28.0423 175.7826 194 D 4.4047 7.9093 119.8505 57.3857 40.1448 179.2150 195 L 3.9675 7.8387 118.2944 57.7754 42.0565 179.2049 196 L 4.2458 8.2709 116.7794 56.2991 41.7965 178.2444 197 L 4.6915 7.3213 117.4230 55.0817 42.4008 179.7784 198 V 3.4140 6.7718 113.3180 64.2062 31.3860 177.0264 199 N 4.8533 7.8286 113.7436 52.6660 38.7143 174.9210 200 L 4.1195 8.2476 121.0916 55.5750 42.5577 177.4365 201 S 4.2181 8.5684 119.0389 59.1709 63.4647 174.0015 202 H 4.3077 8.2292 123.6417 56.5458 30.5080 173.9539 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 21 R 8.10 4.21 0.00 1.83 1.99 0.00 3.12 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.42 0.00 22 H 8.08 4.14 0.00 3.50 3.23 0.00 5.58 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 23 V 8.39 3.68 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.75 0.00 0.00 24 R 7.48 4.12 0.00 1.97 1.99 0.00 3.45 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 *26 L 8.01 4.01 0.00 1.99 1.67 0.80 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.38 3.92 0.00 2.07 1.95 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 2.30 2.28 0.00 28 A 8.33 3.92 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 29 A 7.59 3.76 0.84 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 0.00 0.00 30 I 7.59 3.73 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.67 0.93 0.00 0.00 31 E 8.36 3.94 0.00 2.13 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 2.36 0.00 32 L 8.19 4.07 0.00 1.83 1.75 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.90 4.31 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 34 T 7.84 4.03 4.38 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 1.21 0.00 0.00 35 E 7.59 4.54 0.00 2.09 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 2.41 2.24 0.00 36 K 7.64 4.65 0.00 1.81 1.66 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.35 7.81 37 E 8.38 4.20 0.00 2.13 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 2.32 0.00 38 L 8.58 3.63 0.00 1.52 1.62 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.92 4.26 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 40 R 7.99 4.53 0.00 1.72 1.95 0.00 3.16 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 41 V 7.36 4.07 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 0.71 0.00 0.00 1.13 0.00 0.00 42 Q 8.42 4.55 0.00 2.16 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.39 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 *44 H 8.80 4.65 0.00 3.39 3.62 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.75 3.81 0.00 2.16 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 2.29 2.11 0.00 46 V 8.39 3.53 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 0.89 0.00 0.00 0.90 0.00 0.00 47 A 7.66 3.97 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 48 K 8.01 3.86 0.00 1.86 1.80 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 49 R 7.55 3.88 0.00 1.80 1.91 0.00 3.39 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 50 A 7.60 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 51 G 7.93 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 0.00 0.00 0.00 52 V 7.99 4.44 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 0.82 0.00 0.00 0.90 0.00 0.00 53 A 8.32 4.26 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 54 I 8.72 3.60 1.94 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 1.39 0.52 0.87 0.00 0.00 55 G 8.15 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.35 4.13 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 57 L 7.97 4.03 0.00 1.75 1.79 1.03 0.80 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 58 Y 7.55 4.23 0.00 3.13 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 59 R 7.75 3.98 0.00 1.77 2.17 0.00 3.11 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.07 0.00 60 Y 7.35 4.22 0.00 2.91 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 0.00 0.00 0.00 61 F 8.83 4.85 0.00 3.04 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 62 P 0.00 4.99 0.00 2.08 2.19 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.86 0.00 63 S 7.88 4.78 0.00 4.09 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 64 K 8.56 3.96 0.00 1.97 2.01 0.00 1.90 0.00 0.00 1.92 0.00 0.00 3.21 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.78 1.75 7.81 65 T 8.02 4.01 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 66 H 8.22 4.21 0.00 3.58 3.62 0.00 5.81 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 67 L 7.95 3.26 0.00 1.57 1.67 -0.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.20 4.11 0.00 3.20 3.07 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 69 V 8.01 3.79 2.25 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 0.86 0.00 0.00 0.99 0.00 0.00 70 A 8.00 4.25 1.42 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 71 V 7.68 3.59 2.21 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 158 L 7.83 3.96 0.00 1.90 1.72 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 159 T 8.06 3.94 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 160 A 8.09 3.99 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 161 L 8.02 3.92 0.00 1.86 1.70 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 162 R 9.06 3.90 0.00 1.74 2.19 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 163 L 8.38 3.99 0.00 1.88 1.74 0.94 0.55 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 0.00 164 L 8.41 4.06 0.00 1.75 1.87 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 165 V 8.22 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 0.94 0.00 0.00 1.17 0.00 0.00 166 Q 8.44 4.18 0.00 2.33 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.66 2.40 0.00 167 L 8.26 4.15 0.00 2.04 2.06 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 168 W 8.47 4.25 0.00 3.67 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 0.00 169 F 8.61 3.61 0.00 3.44 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 0.00 170 G 7.92 3.60 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 0.00 0.00 0.00 171 V 7.80 3.53 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 1.10 0.00 0.00 1.00 0.00 0.00 172 I 7.64 3.36 1.24 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 -0.36 0.42 0.00 0.00 173 Q 7.87 3.74 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.74 0.00 0.00 0.00 0.00 0.00 1.98 2.20 0.00 174 S 8.15 4.04 0.00 3.95 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 0.00 175 C 8.16 4.17 0.00 3.00 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 0.00 176 L 7.84 3.90 0.00 1.74 1.63 0.82 0.81 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 0.00 177 N 7.99 4.72 0.00 2.73 2.79 0.00 0.00 7.04 8.03 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 0.00 178 G 7.90 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 0.00 0.00 0.00 179 R 7.90 4.13 0.00 1.80 1.98 0.00 3.09 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 180 V 7.30 4.52 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 0.75 0.00 0.00 0.90 0.00 0.00 181 S 8.41 4.37 0.00 4.04 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 0.00 182 I 8.29 3.69 1.88 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 1.63 0.88 0.93 0.00 0.00 183 P 0.00 4.35 0.00 2.17 2.12 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 184 D 8.19 4.34 0.00 2.76 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 0.00 185 A 8.09 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.28 4.08 0.00 2.31 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 0.00 2.44 2.59 0.00 187 S 8.38 4.13 0.00 3.98 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 D 8.10 4.41 0.00 3.06 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 0.00 189 I 8.34 3.96 2.20 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.04 1.25 0.00 0.00 190 R 8.50 3.68 0.00 0.88 2.02 0.00 2.21 0.00 0.00 2.67 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.41 0.00 191 R 8.34 3.92 0.00 2.06 1.91 0.00 3.17 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 192 A 8.30 4.08 1.46 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 0.00 193 C 8.24 4.08 0.00 3.23 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 0.00 194 D 7.91 4.40 0.00 2.69 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 0.00 195 L 7.84 3.97 0.00 1.64 1.73 0.93 0.89 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 0.00 196 L 8.27 4.25 0.00 1.68 1.75 0.98 0.98 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 0.00 197 L 7.32 4.69 0.00 1.73 1.64 0.93 0.68 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 0.00 198 V 6.77 3.41 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 0.65 0.00 0.00 1.00 0.00 0.00 199 N 7.83 4.85 0.00 2.70 2.81 0.00 0.00 6.82 7.85 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 0.00 200 L 8.25 4.12 0.00 1.79 1.59 0.92 0.49 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 0.00 201 S 8.57 4.22 0.00 3.90 3.91 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 0.00 0.00 0.00 202 H 8.23 4.31 0.00 3.27 3.28 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.