NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 P 4.3732 0.0000 0.0000 62.2033 32.7997 175.4091 -2 L 4.2670 8.2469 120.9782 53.1805 42.9214 175.5220 -1 G 4.0734 8.3372 112.9232 44.1266 0.0000 172.8042 0 S 4.1587 8.4200 113.0928 58.7760 63.9439 175.8133 1 M 4.1606 8.7009 128.3235 57.9864 31.7674 178.8868 2 S 4.2409 8.0062 114.6993 61.2259 63.6081 176.5557 3 Q 4.1011 7.9847 121.1455 58.4042 27.9453 178.4375 4 S 4.0238 8.1336 114.3178 61.6517 62.3080 176.0613 5 N 4.3730 8.0218 118.7401 56.2582 38.1497 177.4374 6 R 3.9048 8.4951 120.6399 59.0504 30.2644 178.1364 7 E 3.8362 7.9073 119.0258 58.8140 29.4850 178.5883 8 L 3.9221 7.5777 119.4837 57.9230 42.0948 178.8493 9 V 3.5432 7.3789 118.1057 66.2185 31.2031 178.2450 10 V 2.9683 7.8607 117.9562 65.4209 31.0515 177.6507 11 D 4.1682 7.6874 117.5734 57.3224 40.7372 178.0714 12 F 4.1470 8.4855 120.9285 60.6757 39.2724 176.9051 13 L 3.9403 7.6846 119.0383 57.5089 41.5986 179.1762 14 S 4.2542 7.6508 115.0417 61.8214 62.9256 176.0237 15 Y 4.1938 7.7046 122.2492 60.8316 38.3397 178.4467 16 K 3.9560 7.4735 118.9253 59.0509 31.8751 179.4137 17 L 4.2329 7.9414 119.8803 57.6052 41.1401 179.4630 18 S 4.7472 8.6674 115.9953 61.1539 62.6292 176.6819 19 Q 3.9152 7.6232 120.5467 57.9585 28.3896 177.5557 20 K 4.4129 7.3663 117.6232 55.7005 32.8180 176.5756 21 G 3.5038 7.6397 105.3463 46.9950 0.0000 173.2090 22 Y 5.0780 8.7065 117.3194 56.2280 42.1978 174.6398 23 S 4.9322 8.3687 113.4375 56.9930 65.7965 174.1540 24 W 4.2034 9.2323 134.7242 60.0202 30.9409 175.2487 25 S 4.6884 7.7704 110.1585 56.6527 65.9419 173.9849 26 Q 3.8985 8.5164 119.9110 59.1906 29.2962 177.3711 *83 M 4.2951 8.0407 116.4134 55.3836 33.9831 177.0378 84 A 4.0302 7.9123 119.8589 55.1215 18.1317 179.4857 85 A 4.0277 8.0186 118.7776 54.8952 18.4685 180.1231 86 V 3.6019 7.7614 117.0916 65.8289 31.4981 178.1554 87 K 3.7488 7.8649 118.3168 59.9029 32.0851 179.3136 88 Q 3.9988 7.8710 117.5801 58.8288 28.5319 178.6982 89 A 4.2646 7.8118 121.5792 55.1115 18.3979 179.4576 90 L 4.0027 8.1295 118.9060 58.1176 42.2234 179.1707 91 R 3.9339 8.2883 118.7037 59.1826 30.0189 178.5948 92 E 4.1958 8.2891 116.5423 58.8238 29.9364 178.6751 93 A 4.3531 8.5249 122.1188 54.7971 18.3984 179.8878 94 G 3.6490 8.4296 104.4105 48.3005 0.0000 175.6969 95 D 4.4840 8.1179 121.9564 56.8981 40.8300 178.5743 96 E 4.0148 8.4305 119.8823 59.2089 29.5029 178.7337 97 F 4.2313 8.7728 121.0204 61.3071 39.7061 176.7335 98 E 4.5677 9.2099 118.6560 59.7685 29.1313 179.3652 99 L 4.1121 8.1288 117.4969 58.1682 41.8830 179.8425 100 R 3.8000 7.7030 115.9915 58.2577 30.3220 176.6417 101 Y 4.8427 7.5610 116.7738 57.1449 39.2460 177.6486 102 R 4.2619 7.6758 120.6150 59.3246 30.7441 178.6312 103 R 3.9842 8.2450 113.9966 59.2607 29.0948 177.6909 104 A 4.4485 7.3123 118.9412 51.9913 18.4181 177.6059 105 F 5.1756 7.5258 116.8041 58.6432 40.2212 176.4101 106 S 4.1939 8.1731 116.7017 59.8579 63.8436 174.3687 107 D 4.3057 8.4421 125.5127 55.4082 37.9512 175.9306 108 L 4.4610 7.1768 117.3803 53.9557 40.2235 176.9543 *112 L 4.0662 7.8579 132.8233 56.8577 43.6427 176.7713 113 H 3.8030 8.2862 109.4905 56.6260 25.7373 174.5573 114 I 4.2051 7.4434 117.7060 59.6498 36.2854 174.4841 115 T 4.7926 7.8975 116.8463 58.7288 71.6626 173.6135 116 P 4.2923 0.0000 0.0000 64.9235 30.9363 177.6009 117 G 3.6800 7.1777 108.3139 47.4098 0.0000 174.3884 118 T 4.5649 7.5996 107.3506 60.9371 70.6574 177.3159 119 A 4.0664 7.4933 124.7335 56.6467 18.5080 179.6003 120 Y 2.9842 7.8760 117.4188 60.1913 38.3564 177.4281 121 Q 3.8892 8.0689 120.0579 59.5829 29.0705 178.7175 122 S 4.0716 8.3639 115.6822 60.7690 62.7423 176.5026 123 F 4.2168 7.7132 123.4490 61.0074 38.9358 177.0020 124 E 3.7125 8.3896 118.8893 58.3411 29.2092 178.1506 125 Q 4.1161 7.2001 117.0755 58.2267 29.4718 177.9337 126 V 3.4157 7.0729 118.8865 65.7164 31.4727 178.3998 127 V 3.3382 7.1781 117.5319 65.8683 31.1426 177.4463 128 N 4.2770 7.2825 113.9719 56.6967 38.7488 176.6288 129 E 3.9810 8.1597 120.2688 58.8418 29.4588 178.2398 130 L 3.6549 7.6356 119.9632 58.0069 42.2145 178.4000 131 F 4.7390 7.6829 116.8305 56.5799 38.8499 177.4859 132 R 3.9915 7.3904 121.7291 58.8598 29.7656 176.8764 133 D 4.8637 8.4873 115.5604 51.6889 39.9471 174.6023 134 G 4.2460 7.1727 104.7895 44.1941 0.0000 173.6928 135 V 4.2867 7.3356 120.2046 61.1902 33.6511 174.5632 136 N 3.7823 7.0842 120.0955 50.4881 40.9575 175.2727 137 W 4.7460 8.7870 119.5508 59.8414 29.0098 178.9314 138 G 3.9281 8.4777 105.4830 47.6383 0.0000 175.9308 139 R 3.8620 8.7865 120.7450 58.8530 30.0722 179.0331 140 I 4.0735 7.7422 119.5564 64.4450 37.0853 178.6410 141 V 3.7332 7.9149 118.8209 65.9628 31.1601 177.9155 142 A 3.4538 7.7581 119.6745 54.7622 18.0002 179.1675 143 F 4.2887 8.7879 119.5541 61.5328 39.7032 177.3513 144 F 3.8171 8.5837 117.1767 60.8196 38.5840 177.9577 145 S 4.2344 8.3701 114.5507 61.4466 62.1454 176.7541 146 F 4.5971 8.0658 123.3987 61.2683 39.1628 177.4936 147 G 3.4477 7.9398 105.1808 47.3482 0.0000 175.9574 148 G 3.5241 7.9338 107.3419 47.6409 0.0000 175.5606 149 A 3.8878 7.4870 122.0629 54.6250 18.4127 179.3939 150 L 3.9928 7.2717 117.1386 58.5178 41.5849 179.8109 151 C 4.0915 7.8661 116.1973 62.4643 27.7677 176.4680 152 V 3.5090 7.7817 119.9739 66.1558 31.0453 178.1028 153 E 4.1359 8.9409 117.3823 58.8028 29.3867 179.3876 154 S 4.2564 8.0236 115.8695 61.4938 62.9106 176.4450 155 V 3.7032 7.2717 118.1814 64.7873 31.3319 176.8019 156 D 4.6602 7.4439 115.6037 55.9704 41.0810 176.5296 157 K 4.5137 7.8166 118.9763 55.5563 33.5419 177.4696 158 E 3.8425 8.3741 116.2574 57.4071 27.6377 176.2312 159 M 4.3940 7.9619 116.2368 56.2882 31.5624 178.6173 160 Q 3.7708 8.4071 121.3252 59.4414 29.2959 180.1811 161 V 3.5546 7.8584 111.7157 63.7362 31.4197 177.9151 162 L 3.8329 8.7926 119.4138 56.5097 41.5086 179.4232 163 V 3.3641 8.1628 119.7379 65.8294 31.0419 177.9716 164 S 3.9888 7.8269 113.5382 61.6215 62.7484 176.5766 165 R 3.3417 7.0486 119.9312 58.5041 29.5736 178.9298 166 I 2.4378 6.7610 119.2831 64.0196 37.0897 178.0484 167 A 3.8591 7.3691 120.6237 55.3052 18.1589 179.3990 168 A 4.1037 7.1031 118.3353 54.4963 18.7297 179.8746 169 W 4.5522 7.5160 117.4397 60.1758 28.9359 178.6928 170 M 4.5855 8.1657 118.3692 58.5165 31.6410 178.6067 171 A 4.0666 8.1090 120.9089 55.6776 18.6139 179.7883 172 T 4.0953 8.0955 113.5789 66.3317 68.5786 176.8673 173 Y 3.9884 8.2229 121.6814 60.7151 39.0174 177.5628 174 L 4.1688 9.1747 122.2408 57.8362 41.8716 178.3978 175 N 4.4274 7.8942 116.2204 56.2202 39.1090 175.9827 176 D 4.5246 7.9264 118.1137 55.3326 41.4034 177.0220 177 H 4.4355 7.9905 113.8327 56.2408 31.9456 175.3213 178 L 3.8830 7.3594 118.5405 56.9374 41.3695 178.4622 179 E 3.9804 8.2963 119.0955 59.3438 29.7040 176.7146 180 P 4.2264 0.0000 0.0000 65.4448 31.4936 177.7405 181 W 4.0395 8.2027 125.5824 61.1768 30.4111 178.0060 182 I 3.2700 8.0362 118.7703 64.5980 36.3993 177.9993 183 Q 3.9180 7.7936 119.5165 58.9823 29.0524 177.5301 184 E 4.0580 7.7813 117.8321 58.1369 29.8536 176.8956 185 N 4.4926 7.1449 115.9323 53.5015 39.8557 175.3338 186 G 4.4050 7.5434 109.6005 45.7098 0.0000 173.9539 187 G 3.8657 7.8019 104.2758 44.0706 0.0000 173.6883 188 W 4.3260 8.9206 116.9044 59.5508 28.9623 178.0740 189 D 4.5235 8.5351 118.6450 58.1278 40.2231 179.1719 190 T 3.9131 7.9767 115.3503 66.3868 68.4409 176.2805 191 F 3.0653 7.3099 122.3646 61.0254 39.4282 176.9773 192 V 3.6127 8.0650 117.9059 66.4239 30.9408 177.8901 193 E 3.9254 7.6358 116.8350 59.4756 29.4278 179.0441 194 L 4.0604 7.4330 117.2647 56.9742 41.6600 177.7125 195 Y 4.2352 7.6327 113.5609 57.2309 38.4841 175.8063 196 G 3.8028 7.8570 109.9841 46.6624 0.0000 174.2075 197 N 4.7329 8.4881 121.8149 52.9540 39.0202 174.8624 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 -3 P 0.00 4.37 0.00 2.05 2.04 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.10 0.00 -2 L 8.25 4.27 0.00 1.70 1.58 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 -1 G 8.34 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 8.42 4.16 0.00 3.90 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 1 M 8.70 4.16 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 2 S 8.01 4.24 0.00 4.08 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 3 Q 7.98 4.10 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 4 S 8.13 4.02 0.00 3.88 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.02 4.37 0.00 3.00 2.83 0.00 0.00 6.77 7.03 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 6 R 8.50 3.90 0.00 1.86 1.96 0.00 3.12 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 7 E 7.91 3.84 0.00 2.29 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 2.25 2.26 0.00 8 L 7.58 3.92 0.00 1.80 1.59 0.90 0.77 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 9 V 7.38 3.54 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 0.93 0.00 0.00 0.96 0.00 0.00 10 V 7.86 2.97 1.85 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 -0.04 0.00 0.00 0.73 0.00 0.00 11 D 7.69 4.17 0.00 2.90 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 12 F 8.49 4.15 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 3.94 0.00 1.56 1.78 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.65 4.25 0.00 3.87 4.01 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 0.00 0.00 0.00 15 Y 7.70 4.19 0.00 2.84 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 16 K 7.47 3.96 0.00 1.70 1.72 0.00 1.51 0.00 0.00 1.45 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.18 7.81 17 L 7.94 4.23 0.00 2.01 1.93 1.09 0.91 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 18 S 8.67 4.75 0.00 4.01 4.28 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 19 Q 7.62 3.92 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.43 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 20 K 7.37 4.41 0.00 1.89 1.81 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.61 7.81 21 G 7.64 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.71 5.08 0.00 2.90 2.79 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 0.00 0.00 0.00 0.00 23 S 8.37 4.93 0.00 4.02 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 24 W 9.23 4.20 0.00 3.43 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 25 S 7.77 4.69 0.00 4.06 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 26 Q 8.52 3.90 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.44 6.52 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 *83 M 8.04 4.30 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 84 A 7.91 4.03 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 85 A 8.02 4.03 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 86 V 7.76 3.60 1.92 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 0.52 0.00 0.00 1.00 0.00 0.00 87 K 7.86 3.75 0.00 2.00 1.81 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.59 7.81 88 Q 7.87 4.00 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 89 A 7.81 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.13 4.00 0.00 1.50 1.58 0.46 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.29 3.93 0.00 2.09 1.99 0.00 3.38 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 92 E 8.29 4.20 0.00 2.30 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 0.00 2.58 2.49 0.00 93 A 8.52 4.35 1.70 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 0.00 0.00 94 G 8.43 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 0.00 0.00 0.00 95 D 8.12 4.48 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.43 4.01 0.00 2.35 2.33 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 2.40 2.46 0.00 97 F 8.77 4.23 0.00 3.51 3.43 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 98 E 9.21 4.57 0.00 2.37 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 2.27 2.70 0.00 99 L 8.13 4.11 0.00 1.78 1.72 0.98 0.86 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 0.00 100 R 7.70 3.80 0.00 0.94 0.92 0.00 3.00 0.00 0.00 3.00 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.83 0.00 101 Y 7.56 4.84 0.00 2.46 2.41 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 0.00 102 R 7.68 4.26 0.00 1.95 2.10 0.00 3.25 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 103 R 8.24 3.98 0.00 1.95 2.19 0.00 2.97 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 104 A 7.31 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 7.53 5.18 0.00 3.07 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 0.00 106 S 8.17 4.19 0.00 4.03 3.94 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 0.00 107 D 8.44 4.31 0.00 2.78 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 0.00 108 L 7.18 4.46 0.00 1.82 1.79 1.16 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 *112 L 7.86 4.07 0.00 1.68 1.92 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.29 3.80 0.00 3.28 3.31 0.00 5.74 0.00 0.00 0.00 0.00 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.44 4.21 1.91 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 1.50 0.83 0.93 0.00 0.00 115 T 7.90 4.79 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 1.22 0.00 0.00 116 P 0.00 4.29 0.00 2.10 2.20 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 117 G 7.18 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 0.00 118 T 7.60 4.56 4.28 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 1.28 0.00 0.00 119 A 7.49 4.07 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.88 2.98 0.00 1.43 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 0.00 121 Q 8.07 3.89 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 122 S 8.36 4.07 0.00 4.01 3.96 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 0.00 123 F 7.71 4.22 0.00 3.30 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 0.00 124 E 8.39 3.71 0.00 1.16 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 2.20 2.34 0.00 125 Q 7.20 4.12 0.00 1.86 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 126 V 7.07 3.42 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 0.37 0.00 0.00 0.94 0.00 0.00 127 V 7.18 3.34 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.19 0.00 0.00 128 N 7.28 4.28 0.00 2.90 2.86 0.00 0.00 7.05 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 0.00 129 E 8.16 3.98 0.00 2.08 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 2.21 2.24 0.00 130 L 7.64 3.65 0.00 1.43 1.59 0.54 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.68 4.74 0.00 3.07 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 0.00 132 R 7.39 3.99 0.00 1.80 1.97 0.00 3.17 0.00 0.00 3.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 133 D 8.49 4.86 0.00 2.76 2.66 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 0.00 134 G 7.17 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 0.00 0.00 0.00 0.00 135 V 7.34 4.29 0.67 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 0.04 0.00 0.00 0.56 0.00 0.00 136 N 7.08 3.78 0.00 3.02 2.81 0.00 0.00 5.99 8.88 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 0.00 137 W 8.79 4.75 0.00 3.82 3.32 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 0.00 138 G 8.48 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 0.00 0.00 0.00 139 R 8.79 3.86 0.00 1.68 1.32 0.00 2.96 0.00 0.00 2.95 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.70 0.00 140 I 7.74 4.07 2.28 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.01 1.41 0.00 0.00 141 V 7.91 3.73 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 0.96 0.00 0.00 1.08 0.00 0.00 142 A 7.76 3.45 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 0.00 143 F 8.79 4.29 0.00 3.32 3.43 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 0.00 144 F 8.58 3.82 0.00 3.30 3.10 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 0.00 145 S 8.37 4.23 0.00 3.99 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.07 4.60 0.00 3.19 3.21 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 0.00 147 G 7.94 3.45 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 0.00 148 G 7.93 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.49 3.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.27 3.99 0.00 1.65 1.60 0.63 0.76 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 0.00 151 C 7.87 4.09 0.00 3.07 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 0.00 152 V 7.78 3.51 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 1.00 0.00 0.00 0.91 0.00 0.00 153 E 8.94 4.14 0.00 1.86 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 2.35 2.49 0.00 154 S 8.02 4.26 0.00 3.99 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 0.00 155 V 7.27 3.70 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 0.80 0.00 0.00 0.95 0.00 0.00 156 D 7.44 4.66 0.00 2.87 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 0.00 157 K 7.82 4.51 0.00 1.70 1.72 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.61 1.51 7.81 158 E 8.37 3.84 0.00 2.22 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 2.28 2.36 0.00 159 M 7.96 4.39 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.47 0.00 160 Q 8.41 3.77 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.76 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 161 V 7.86 3.55 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 0.87 0.00 0.00 0.91 0.00 0.00 162 L 8.79 3.83 0.00 1.67 1.60 0.94 0.77 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 0.00 163 V 8.16 3.36 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 0.93 0.00 0.00 0.87 0.00 0.00 164 S 7.83 3.99 0.00 3.96 4.01 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 0.00 0.00 0.00 165 R 7.05 3.34 0.00 1.21 1.47 0.00 3.05 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 166 I 6.76 2.44 1.64 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.95 0.64 0.00 0.00 167 A 7.37 3.86 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 A 7.10 4.10 1.22 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 0.00 169 W 7.52 4.55 0.00 3.06 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 0.00 170 M 8.17 4.59 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.51 0.00 171 A 8.11 4.07 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 0.00 172 T 8.10 4.10 4.54 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 1.36 0.00 0.00 173 Y 8.22 3.99 0.00 3.45 3.38 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 0.00 174 L 9.17 4.17 0.00 1.86 1.93 1.38 0.86 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 0.00 175 N 7.89 4.43 0.00 2.99 3.00 0.00 0.00 7.17 7.75 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 0.00 176 D 7.93 4.52 0.00 2.54 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 H 7.99 4.44 0.00 1.42 2.56 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.36 3.88 0.00 1.67 1.54 0.19 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.30 3.98 0.00 2.12 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 2.37 2.44 0.00 180 P 0.00 4.23 0.00 2.16 1.99 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 181 W 8.20 4.04 0.00 3.20 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 0.00 182 I 8.04 3.27 1.86 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.20 0.15 0.00 0.00 183 Q 7.79 3.92 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 184 E 7.78 4.06 0.00 1.69 1.82 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 2.18 2.22 0.00 185 N 7.14 4.49 0.00 1.44 1.93 0.00 0.00 7.27 7.03 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 0.00 186 G 7.54 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 G 7.80 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 0.00 188 W 8.92 4.33 0.00 3.50 3.28 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 0.00 189 D 8.54 4.52 0.00 2.76 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 0.00 190 T 7.98 3.91 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 1.39 0.00 0.00 191 F 7.31 3.07 0.00 1.51 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 0.00 192 V 8.06 3.61 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.15 0.00 0.00 193 E 7.64 3.93 0.00 2.06 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 2.34 2.48 0.00 194 L 7.43 4.06 0.00 1.66 1.50 1.19 1.08 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 0.00 195 Y 7.63 4.24 0.00 1.52 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 0.00 196 G 7.86 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 N 8.49 4.73 0.00 2.85 3.09 0.00 0.00 6.85 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 * Residues marked with a * may have inaccurate shift predictions.