NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5190 8.3193 116.8111 58.4845 64.5681 172.5920 3 F 4.9774 8.0351 118.7400 54.7712 41.6260 167.6937 4 V 4.6381 9.2706 119.9519 61.0507 35.1736 175.4847 5 V 4.9787 8.5313 126.0142 61.2256 34.2376 174.0658 6 I 4.9778 8.6738 128.7458 59.7043 39.9036 174.6311 7 I 5.2433 8.7916 128.9346 58.3003 38.8387 173.2750 8 P 4.8923 0.0000 0.0000 62.1290 32.4672 175.7797 9 A 4.7095 8.8055 130.7709 51.1634 18.7162 177.8926 10 R 4.3574 8.4833 119.4866 57.1054 30.4622 173.3701 11 Y 4.5380 8.3114 114.0846 58.5953 40.9982 175.7249 12 A 4.0553 8.2979 122.1660 52.6641 18.7541 176.5475 13 S 4.6418 8.1612 114.5773 58.0063 64.7833 177.0569 14 T 3.7484 8.7184 122.8600 65.1451 68.2771 172.3526 *17 P 3.8896 0.0000 0.0000 62.7587 31.8831 176.6334 18 G 3.3918 8.3390 117.1479 46.4830 0.0000 174.6060 19 K 3.6007 7.0515 121.7956 56.9999 32.4651 179.1341 20 P 4.2517 0.0000 0.0000 65.3473 31.3693 177.4818 21 L 4.3616 7.1304 114.9784 54.4307 42.1265 177.1470 22 V 3.5469 7.6508 120.6085 63.0437 31.8350 174.7643 23 D 4.6840 8.5208 126.5440 54.4038 42.0394 176.1614 24 I 4.4496 8.2065 126.1094 60.1245 38.0248 174.9774 25 N 4.4385 9.3312 125.3859 54.4709 35.6098 175.6600 26 G 4.1090 8.9460 107.0231 45.0669 0.0000 174.6493 27 K 4.7803 7.5865 117.8642 53.5140 36.9726 175.7121 28 P 5.3235 0.0000 0.0000 61.7671 30.7101 178.9391 *30 I 4.0810 8.3949 113.7227 60.7130 39.5796 177.4748 31 V 3.6812 7.5921 119.0899 65.8304 31.2101 177.7868 32 H 4.1769 8.1666 115.9163 58.7775 28.6292 177.6970 33 V 3.6770 7.8044 119.6596 65.5163 31.3164 177.7791 34 L 3.9467 7.7080 120.4675 58.1748 41.9781 178.6117 35 E 3.9521 8.3395 118.6526 59.5774 29.2876 179.5669 36 R 4.1935 8.2790 118.9595 58.8167 29.9759 179.0266 37 A 4.0786 7.8886 118.9339 55.1792 18.6224 179.6363 38 R 4.0015 8.2917 116.9048 59.4567 29.6646 178.9716 39 E 4.0468 8.4527 118.6967 59.3508 29.2019 179.3221 40 S 4.3953 7.6654 113.1927 59.6753 63.3426 175.2683 41 G 3.9201 8.0371 110.2872 44.6810 0.0000 173.5518 42 A 2.7275 6.8967 121.5403 52.1322 18.5721 177.7710 43 E 4.2198 7.8341 118.6828 57.2102 30.8400 176.7638 44 R 4.3363 7.2565 118.9864 55.8321 33.1700 172.9350 45 I 4.9595 8.3836 127.4748 59.6221 40.1072 174.4067 46 I 4.8359 8.9786 128.3861 59.4347 40.3827 174.7045 47 V 4.6411 8.6112 127.1059 61.6052 33.2074 174.3061 48 A 5.0653 8.9723 130.9613 50.4324 20.0801 175.7963 49 T 5.0229 8.4407 116.3029 61.1639 70.4042 172.8480 50 D 4.7797 8.7956 122.9099 53.7358 41.6843 176.6618 51 H 4.5234 7.8341 118.7334 54.8526 30.2117 176.1873 52 E 4.0897 8.7817 125.6691 59.1473 29.5165 179.0235 53 D 4.4195 8.0990 119.1440 56.1554 39.6280 178.7066 54 V 3.6217 7.8548 119.1850 65.7698 31.6756 177.5725 55 A 4.0247 7.8921 120.3848 55.4422 18.1238 179.8968 56 R 3.9455 8.2909 116.2638 59.0924 30.0216 179.1245 57 A 3.9800 7.9431 120.3909 55.0058 18.3030 179.9055 58 V 3.5324 7.8222 116.7859 66.2039 31.6637 178.1013 59 E 4.1082 8.2684 118.1302 59.5071 29.0929 179.2682 60 A 4.1651 8.1383 119.6452 54.7891 18.5149 178.6834 61 A 4.2743 7.5711 116.5512 52.4399 18.7642 178.3054 62 G 3.7854 8.3891 106.3266 45.1945 0.0000 174.0315 63 G 3.9983 8.0839 107.7150 45.4265 0.0000 172.7907 64 E 4.9499 8.2421 120.5181 54.3400 32.5217 174.8384 65 V 4.9966 8.2136 123.1451 61.6599 34.4344 174.2721 66 C 4.9144 8.6365 127.5385 58.4651 35.1153 172.3352 *68 T 4.0155 8.5877 109.5709 62.5573 69.6293 174.4850 69 R 4.0617 8.4954 118.8822 58.3926 29.4244 176.1991 *75 G 4.0192 7.8157 105.6525 45.0833 0.0000 173.8529 76 T 4.3855 7.7600 118.0862 65.2733 69.1348 177.1342 77 E 4.0733 8.1037 120.3700 60.7028 29.9323 184.0764 78 R 4.1167 8.0504 117.9098 59.4514 30.1327 178.4859 79 L 3.9804 7.3430 119.9588 58.3391 42.0036 178.9748 80 A 4.0415 8.1190 122.8703 55.6841 18.1502 180.1148 81 E 3.9378 8.3719 117.2707 61.0761 29.6911 182.8750 82 V 3.6951 7.6746 118.0038 66.1509 31.7312 178.6781 83 V 4.0085 8.1874 112.3530 64.2210 31.3340 177.9661 84 E 3.8899 8.4994 119.6924 59.3293 29.3458 179.0004 85 K 3.9244 8.6981 118.8717 59.1004 32.2630 178.2182 86 C 4.0769 8.0230 114.0408 58.1710 29.2343 173.0862 87 A 3.7060 7.6414 123.1562 52.9908 16.2320 177.6767 88 F 4.5268 7.6264 118.4488 57.3163 40.2694 176.7667 89 S 4.3472 8.8522 120.0667 58.9521 63.5957 175.3673 90 D 4.4779 8.9100 123.1296 57.7436 40.6494 178.3489 91 D 4.5812 8.0196 115.0795 54.6338 39.9708 176.2050 92 T 4.0868 7.8396 119.4554 63.8578 69.5603 173.7057 93 V 4.3761 8.5087 126.9890 61.2795 33.3205 174.9723 94 I 4.9977 9.6641 126.9438 59.2958 40.5831 174.6400 95 V 4.6480 8.9867 126.5467 60.9845 33.7970 173.9405 96 N 5.1744 8.7883 128.3107 53.2552 40.0245 173.7239 97 V 4.6562 8.4783 126.6415 60.8582 34.8011 174.6711 98 Q 4.4522 8.7167 126.5844 55.6728 29.2574 177.5957 99 G 3.8069 8.6660 113.5161 47.5776 0.0000 173.6045 100 D 4.9996 8.0017 119.6401 53.2941 40.0971 175.7199 101 E 4.8694 7.6106 118.3827 54.7138 29.4217 176.0156 102 P 4.2518 0.0000 0.0000 62.0874 31.0277 176.5640 *104 I 3.7890 7.7381 118.4016 59.6689 38.3774 173.1785 105 P 4.1877 0.0000 0.0000 63.1253 31.3956 177.1238 106 A 4.0879 8.8185 125.3389 55.0919 18.1393 179.2143 107 T 3.8404 7.9827 108.4888 65.1232 68.5871 176.4069 108 I 3.8063 7.7974 115.6807 63.4922 37.7698 178.3321 109 I 3.6381 7.6479 121.3569 64.0769 36.9245 178.1715 110 R 3.5198 8.0012 119.6843 59.1201 29.8703 178.0042 111 Q 3.8686 8.1958 119.8722 59.4901 28.8781 179.1864 112 V 3.4621 7.7992 112.8491 64.1868 31.4768 178.1364 113 A 3.6947 7.2720 119.9248 55.4478 18.0694 179.4558 114 D 4.2158 8.1288 117.3415 57.5158 40.6362 178.8047 115 N 4.2511 8.0107 116.1859 56.2718 38.8370 176.9218 116 L 4.0611 8.2385 121.8376 57.9560 41.9545 178.7738 117 A 4.0182 7.9764 120.3099 55.1149 18.4013 179.0677 118 Q 4.1407 8.0195 114.5484 56.3940 29.3961 176.3213 119 R 4.7075 7.2793 118.4648 54.4186 33.5914 176.1823 120 Q 4.3651 8.4665 121.2530 55.5081 27.8325 174.6720 121 V 4.5177 7.0948 116.5490 59.2291 35.1031 176.5133 122 G 2.6396 7.7266 105.3925 48.4258 0.0000 174.0914 *124 A 4.5450 7.8823 121.6247 52.3628 20.6529 175.6702 125 T 4.8871 8.7777 114.9359 61.1416 71.8143 171.8697 126 L 5.4150 8.2823 120.5937 52.9970 46.0526 175.7027 127 A 5.1760 8.8516 121.2351 50.7424 23.2470 175.5225 128 V 4.6971 8.9785 111.7227 58.6499 36.0950 173.9040 129 P 4.7557 0.0000 0.0000 62.9975 32.1056 175.6656 130 I 4.3120 8.1315 124.2606 60.4764 37.7808 175.3186 131 H 4.6575 8.8219 123.7885 57.1507 29.7629 175.8393 132 N 4.6758 7.8227 116.7963 52.1166 40.4843 176.1241 133 A 3.6177 8.6215 129.1212 55.3018 18.3001 180.1776 134 E 3.9800 8.0338 116.0958 61.5176 29.9891 182.4507 135 E 4.1783 8.0504 119.8571 58.9685 29.4842 178.6133 136 A 3.6741 6.9934 119.0681 53.9136 18.2943 178.5257 137 F 4.9696 6.9711 114.3438 55.4652 39.9721 174.9408 138 N 4.7924 7.3825 119.6107 51.3720 39.4964 174.1308 139 P 4.7042 0.0000 0.0000 65.1152 31.6641 177.2310 140 N 4.4278 8.9149 115.6151 54.5890 38.6739 174.5677 141 A 4.5248 7.7341 122.2412 50.5511 20.1829 176.4188 142 V 4.3745 8.2946 123.4431 62.0244 33.2811 175.0110 143 K 5.7166 9.5372 127.4758 54.4394 34.6171 175.8107 144 V 4.6428 8.1768 121.1372 59.9548 34.5370 174.5736 145 V 4.3582 8.3619 123.2375 61.1534 33.8379 174.4225 146 L 5.2470 8.4187 127.0041 53.1646 44.5175 175.6211 147 D 4.8357 8.5718 121.2115 51.8436 41.5345 177.1024 148 A 4.0154 8.7958 120.9505 54.5981 18.2329 178.0457 149 E 4.4004 8.6636 112.8579 55.9608 30.3460 176.7701 150 G 3.6879 8.4196 108.1537 45.2167 0.0000 172.9082 151 Y 4.6180 8.0511 118.5241 56.9058 38.5135 174.8207 152 A 4.2768 8.8687 127.9241 52.6397 18.2826 177.3484 153 L 4.3285 9.2564 123.7993 57.4861 42.8145 176.8390 154 Y 4.9043 7.3173 115.8676 56.8559 42.0396 172.8627 155 F 5.2274 7.9548 122.7666 55.9213 42.0818 174.4006 156 S 4.9439 9.0060 115.8362 57.9795 66.0087 174.6132 157 R 4.4991 9.3461 120.7816 56.2589 30.8330 176.9898 158 A 4.2111 7.9822 121.1100 51.8258 18.7736 177.6501 159 T 4.5004 8.6315 116.7421 62.8599 67.9022 174.3396 160 I 5.1522 8.2918 119.3914 57.9472 40.7331 173.8127 161 P 4.5401 0.0000 0.0000 62.2129 31.9269 175.7450 162 W 4.6099 8.8002 130.4910 57.4190 31.1116 176.5217 163 D 4.2838 7.9267 125.7757 52.8654 39.4108 176.0089 164 R 4.0302 8.4612 123.9174 60.4129 29.9353 177.2077 165 D 4.3789 7.7613 118.4550 57.3184 41.2048 178.4821 166 R 3.9946 7.5897 118.4150 58.7327 30.1689 177.6367 167 F 4.9809 8.3206 116.4104 56.6364 39.3230 177.0269 168 A 4.6087 7.4942 123.5918 54.6604 18.7838 178.2712 169 E 4.3517 8.0377 114.9896 54.4975 29.8856 178.7112 170 G 3.9100 8.3621 116.1619 44.1180 0.0000 170.3381 171 L 4.3458 7.8745 117.7024 52.7180 42.6035 175.1703 172 E 4.4080 8.7120 123.4665 56.8343 31.3705 175.6030 173 T 4.8937 7.8106 109.9669 60.0639 70.8528 172.4790 174 V 4.7372 8.0195 122.4800 59.6219 34.7426 176.9731 175 G 3.9541 8.6128 110.3748 45.6747 0.0000 173.4405 176 D 4.9198 8.6374 121.3854 54.1408 41.6398 176.4769 177 N 4.5248 7.9256 116.2232 53.5586 38.3714 175.5089 178 F 4.0893 7.9590 118.7196 57.6103 40.6371 174.0040 179 L 5.1877 8.5076 121.1088 53.0271 45.2751 175.1542 180 R 4.9365 9.3874 125.4731 55.1297 31.7879 174.6927 181 H 4.9088 9.0874 127.4342 56.1005 30.6090 174.2679 182 L 4.3828 8.5864 126.3123 52.4931 43.0339 177.5358 183 G 3.6937 8.0107 112.9426 45.3602 0.0000 173.9127 184 I 4.3640 6.8631 118.4337 59.0386 40.7466 173.2551 185 Y 4.9855 8.1528 124.2499 56.0528 41.9881 174.7581 186 G 4.2918 8.4496 108.3516 44.7915 0.0000 171.4473 187 Y 4.9252 8.7909 119.7417 56.1100 42.0325 174.2402 188 R 4.5716 8.6151 119.1262 55.6253 31.5393 177.8734 189 A 4.1480 8.9424 122.1192 55.2813 18.3688 180.4202 190 G 3.6255 8.2662 104.4807 48.0509 0.0000 175.7020 191 F 3.9432 8.1782 122.5431 60.8756 39.5025 177.0455 192 I 3.2787 7.5381 119.0822 64.2688 36.6013 178.6017 193 R 3.7534 7.3652 117.2376 59.0315 30.1223 178.8053 194 R 3.4422 7.2351 117.8384 59.2694 29.8574 177.4390 195 Y 2.6686 6.7556 119.4969 60.6514 38.4190 178.7081 196 V 3.5819 7.4606 116.8518 65.3152 31.6657 176.9965 197 N 4.3761 7.6080 116.2743 54.8851 39.0541 175.3420 198 W 4.3930 6.4433 119.3028 56.5240 29.7143 175.2735 199 Q 4.2948 8.1540 120.8334 54.7249 29.2150 174.2702 200 P 4.3949 0.0000 0.0000 62.9830 30.5496 176.4435 201 S 3.8849 9.4321 117.5420 56.7286 63.6573 173.6054 202 P 4.2296 0.0000 0.0000 65.7515 30.9315 178.4897 203 L 3.8603 6.8745 119.8585 57.7651 41.8758 178.5584 204 E 4.0865 7.6662 116.5552 59.8195 29.4815 178.5150 205 H 4.5379 7.3020 114.8245 57.9804 28.8857 177.6139 206 I 3.8882 7.2196 120.7583 64.9162 37.4414 177.0584 207 E 4.2789 8.2587 119.5250 56.9396 29.3647 175.7461 *209 L 4.1973 7.7303 132.4033 55.4260 43.0140 177.7275 210 E 4.0762 8.8902 125.8860 61.3754 29.7109 176.9018 211 Q 4.3294 8.1880 117.8995 58.9699 28.2641 178.7465 212 L 4.1897 8.3052 121.3128 57.4542 41.5688 178.9900 213 R 4.0945 8.2196 119.2121 59.4663 29.9398 178.5686 214 V 4.1583 8.1561 117.4585 66.3942 31.6005 178.1194 215 L 4.3596 8.1811 118.2062 57.4710 41.3687 178.9291 216 W 4.2082 8.6287 127.8855 60.7171 30.6103 177.0852 217 Y 3.8646 7.7262 113.2269 57.2509 37.1795 175.6042 218 G 3.8941 7.8588 107.0885 46.8856 0.0000 173.9180 219 E 4.8924 8.1887 117.5839 54.4251 31.0345 175.6176 220 K 4.8358 8.5057 119.3695 54.9252 36.0681 175.3372 221 I 4.9375 8.2703 121.1070 60.0312 41.0131 173.9403 222 H 5.0294 9.0797 126.9359 55.0208 31.4085 173.7289 223 V 4.9620 8.5369 125.4239 61.1243 34.0845 174.2872 224 A 4.6948 8.3709 126.3719 49.8602 23.2762 175.2557 225 V 4.1542 8.3356 119.3777 62.2597 31.8815 175.6510 226 A 3.9629 8.7795 129.6529 52.6396 18.4984 178.1751 227 Q 4.1115 9.7404 124.4633 58.3294 29.4380 176.4647 228 E 4.5641 7.4143 117.2959 53.8969 32.6307 174.7839 229 V 3.8149 8.3187 125.5086 61.4147 31.7102 173.9308 230 P 4.3017 0.0000 0.0000 62.1080 31.6412 176.8963 231 G 3.7640 8.6810 114.7421 46.3609 0.0000 173.8005 232 T 4.1002 8.1610 112.6281 59.8132 69.1707 175.5430 233 G 3.7977 8.3373 110.8837 46.1307 0.0000 173.2795 234 V 4.2237 8.3357 119.5856 61.1688 31.6314 174.5835 235 D 4.8990 8.9056 124.8975 52.5564 40.8129 175.8227 236 T 4.7044 7.5694 109.5682 58.4127 72.2843 172.6787 237 P 4.0288 0.0000 0.0000 66.3987 31.3743 178.7481 238 E 4.0613 7.7671 116.3599 59.1741 29.2643 179.1021 239 D 4.3687 8.8571 120.2542 56.8291 40.5269 178.2835 240 L 3.9068 7.7672 120.4562 58.2831 42.0726 178.6674 241 E 4.0128 7.9895 117.9827 59.3773 29.3574 179.0424 242 R 3.9121 7.7929 118.4799 59.6678 29.8171 178.4386 243 V 3.5235 8.1194 116.3055 66.0893 31.6634 177.6228 244 R 4.0405 8.8053 117.0615 59.4107 30.0727 178.5875 245 A 4.1324 8.4726 119.4194 55.1444 18.4776 177.7477 246 E 4.2087 8.1457 120.4642 56.7663 29.6922 176.8322 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.32 4.52 0.00 3.89 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 3 F 8.04 4.98 0.00 3.30 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 4 V 9.27 4.64 1.74 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 0.73 0.00 0.00 0.63 0.00 0.00 5 V 8.53 4.98 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 0.98 0.00 0.00 1.17 0.00 0.00 6 I 8.67 4.98 1.96 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 1.33 0.81 1.04 0.00 0.00 7 I 8.79 5.24 1.91 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 1.40 1.60 0.99 0.00 0.00 8 P 0.00 4.89 0.00 2.12 2.03 0.00 3.71 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 9 A 8.81 4.71 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 10 R 8.48 4.36 0.00 1.85 1.74 0.00 3.21 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 11 Y 8.31 4.54 0.00 2.79 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 12 A 8.30 4.06 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 13 S 8.16 4.64 0.00 3.77 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.72 3.75 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 1.21 0.00 0.00 *17 P 0.00 3.89 0.00 2.02 2.03 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 18 G 8.34 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 0.00 0.00 0.00 19 K 7.05 3.60 0.00 1.69 1.80 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.05 7.81 20 P 0.00 4.25 0.00 2.10 2.23 0.00 3.19 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 21 L 7.13 4.36 0.00 1.70 1.71 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.65 3.55 2.21 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 0.90 0.00 0.00 0.95 0.00 0.00 23 D 8.52 4.68 0.00 2.68 2.55 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 24 I 8.21 4.45 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 0.84 0.00 0.00 25 N 9.33 4.44 0.00 2.91 2.96 0.00 0.00 7.48 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.95 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 0.00 0.00 0.00 27 K 7.59 4.78 0.00 1.75 1.58 0.00 1.45 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.30 1.28 7.81 28 P 0.00 5.32 0.00 2.22 1.80 0.00 3.87 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 *30 I 8.39 4.08 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.24 0.96 0.00 0.00 31 V 7.59 3.68 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.93 0.00 0.00 32 H 8.17 4.18 0.00 3.22 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 3.03 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 *68 T 8.59 4.02 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 1.29 0.00 0.00 69 R 8.50 4.06 0.00 1.85 1.87 0.00 3.30 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.19 0.00 *75 G 7.82 4.02 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 0.00 0.00 0.00 76 T 7.76 4.39 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 77 E 8.10 4.07 0.00 1.97 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 2.31 1.97 0.00 78 R 8.05 4.12 0.00 1.95 2.05 0.00 3.14 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 79 L 7.34 3.98 0.00 2.03 1.65 1.05 1.17 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 80 A 8.12 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 *124 A 7.88 4.55 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 0.00 125 T 8.78 4.89 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 1.37 0.00 0.00 126 L 8.28 5.42 0.00 1.49 1.42 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.85 5.18 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 0.00 128 V 8.98 4.70 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 0.79 0.00 0.00 0.91 0.00 0.00 129 P 0.00 4.76 0.00 1.77 1.93 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 130 I 8.13 4.31 1.91 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 1.33 0.60 0.87 0.00 0.00 131 H 8.82 4.66 0.00 3.13 3.33 0.00 5.71 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 0.00 132 N 7.82 4.68 0.00 2.68 2.70 0.00 0.00 7.03 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 0.00 133 A 8.62 3.62 1.30 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 0.00 134 E 8.03 3.98 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.95 0.00 135 E 8.05 4.18 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 136 A 6.99 3.67 0.26 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 0.00 137 F 6.97 4.97 0.00 2.99 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 0.00 138 N 7.38 4.79 0.00 2.83 2.81 0.00 0.00 6.91 9.05 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 0.00 139 P 0.00 4.70 0.00 2.26 2.22 0.00 3.46 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 140 N 8.91 4.43 0.00 2.79 2.94 0.00 0.00 6.88 7.17 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 0.00 141 A 7.73 4.52 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 0.00 142 V 8.29 4.37 2.23 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 1.26 0.00 0.00 1.01 0.00 0.00 143 K 9.54 5.72 0.00 1.89 2.01 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.58 7.81 144 V 8.18 4.64 1.81 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 0.61 0.00 0.00 -0.02 0.00 0.00 145 V 8.36 4.36 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 0.00 146 L 8.42 5.25 0.00 1.45 1.48 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.57 4.84 0.00 2.85 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 0.00 148 A 8.80 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 157 R 9.35 4.50 0.00 1.97 2.10 0.00 3.22 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 158 A 7.98 4.21 1.40 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 0.00 159 T 8.63 4.50 4.58 0.00 0.00 0.00 0.00 0.00 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 0.00 160 I 8.29 5.15 2.08 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.82 1.18 0.00 0.00 161 P 0.00 4.54 0.00 2.19 2.08 0.00 3.25 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 162 W 8.80 4.61 0.00 3.56 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 0.00 163 D 7.93 4.28 0.00 2.05 1.54 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 0.00 164 R 8.46 4.03 0.00 1.97 1.95 0.00 3.46 0.00 0.00 3.46 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 165 D 7.76 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0.00 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 0.00 174 V 8.02 4.74 1.87 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 0.75 0.00 0.00 0.60 0.00 0.00 175 G 8.61 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 8.64 4.92 0.00 2.65 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 N 7.93 4.52 0.00 2.60 2.79 0.00 0.00 6.17 7.43 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 0.00 178 F 7.96 4.09 0.00 3.11 3.06 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 0.00 0.00 0.00 179 L 8.51 5.19 0.00 1.70 1.50 0.85 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 0.00 180 R 9.39 4.94 0.00 1.86 1.79 0.00 3.09 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 181 H 9.09 4.91 0.00 3.33 3.35 0.00 5.99 0.00 0.00 0.00 0.00 6.85 0.00 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0.00 0.00 0.00 0.00 190 G 8.27 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 F 8.18 3.94 0.00 3.17 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 0.00 192 I 7.54 3.28 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.62 0.67 0.00 0.00 193 R 7.37 3.75 0.00 1.82 1.85 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 194 R 7.24 3.44 0.00 1.43 1.18 0.00 2.94 0.00 0.00 2.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 195 Y 6.76 2.67 0.00 2.41 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 0.00 196 V 7.46 3.58 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 0.80 0.00 0.00 1.03 0.00 0.00 197 N 7.61 4.38 0.00 2.80 2.58 0.00 0.00 7.19 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 0.00 198 W 6.44 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.60 0.94 0.00 0.00 207 E 8.26 4.28 0.00 2.02 1.84 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 2.40 2.57 0.00 *209 L 7.73 4.20 0.00 1.76 1.62 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 210 E 8.89 4.08 0.00 2.01 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 2.33 1.98 0.00 211 Q 8.19 4.33 0.00 2.01 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.87 0.00 0.00 0.00 0.00 0.00 1.79 1.16 0.00 212 L 8.31 4.19 0.00 1.83 1.89 0.93 0.96 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 0.00 213 R 8.22 4.09 0.00 2.22 2.35 0.00 2.46 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 214 V 8.16 4.16 2.52 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 1.43 0.00 0.00 1.53 0.00 0.00 215 L 8.18 4.36 0.00 2.10 1.91 1.28 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 216 W 8.63 4.21 0.00 3.28 3.24 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 0.00 217 Y 7.73 3.86 0.00 2.09 2.42 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 0.00 218 G 7.86 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 0.00 219 E 8.19 4.89 0.00 2.50 2.21 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 2.77 3.15 0.00 220 K 8.51 4.84 0.00 1.55 1.63 0.00 1.46 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.21 7.81 221 I 8.27 4.94 2.24 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.08 1.18 0.00 0.00 222 H 9.08 5.03 0.00 3.44 3.22 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 V 8.54 4.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.92 0.00 0.00 224 A 8.37 4.69 1.16 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 0.00 0.00 225 V 8.34 4.15 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 0.76 0.00 0.00 0.88 0.00 0.00 226 A 8.78 3.96 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 0.00 227 Q 9.74 4.11 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 228 E 7.41 4.56 0.00 2.05 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 229 V 8.32 3.81 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 0.85 0.00 0.00 0.93 0.00 0.00 230 P 0.00 4.30 0.00 2.05 1.96 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 231 G 8.68 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 0.00 232 T 8.16 4.10 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 1.21 0.00 0.00 233 G 8.34 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 0.00 234 V 8.34 4.22 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 0.83 0.00 0.00 0.94 0.00 0.00 235 D 8.91 4.90 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 T 7.57 4.70 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 1.21 0.00 0.00 237 P 0.00 4.03 0.00 2.16 2.17 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 238 E 7.77 4.06 0.00 2.12 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 2.32 2.38 0.00 239 D 8.86 4.37 0.00 2.74 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 0.00 240 L 7.77 3.91 0.00 1.81 1.65 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 241 E 7.99 4.01 0.00 2.05 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 2.48 2.46 0.00 242 R 7.79 3.91 0.00 1.99 2.08 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 243 V 8.12 3.52 2.21 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 0.84 0.00 0.00 0.96 0.00 0.00 244 R 8.81 4.04 0.00 1.63 2.09 0.00 3.22 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 245 A 8.47 4.13 1.36 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 0.00 0.00 246 E 8.15 4.21 0.00 2.17 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 2.33 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.