NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4192 8.2893 118.1920 54.5175 33.3263 175.1764 1 V 3.7348 7.6131 120.5280 60.7279 32.3337 174.4468 2 L 4.2587 8.1641 124.5568 53.9463 43.4267 178.6036 3 S 4.5198 8.8388 117.6356 57.6284 65.2767 175.1379 4 E 4.2419 8.8473 122.7328 59.5450 29.3419 178.9732 5 G 3.7229 8.1834 105.1683 48.0235 0.0000 175.2510 6 E 3.8997 8.1637 121.0189 58.9018 29.3721 179.4788 7 W 4.3807 8.2612 119.1466 60.0504 29.0655 178.6493 8 Q 4.1883 8.7147 118.2762 58.8669 27.9548 178.8092 9 L 4.0580 8.0816 120.3631 57.5577 41.6011 179.5831 10 V 3.7901 7.9636 118.2482 66.2888 31.5940 178.2473 11 L 4.2469 8.5206 118.9085 58.0394 41.1905 179.2303 12 H 4.2488 8.5205 116.1378 58.5203 28.9417 177.7963 13 V 3.8317 7.8708 121.3790 64.3325 31.4373 178.3097 14 W 3.8377 8.4912 128.9054 60.0854 30.2696 177.7154 15 A 4.0031 8.0356 120.1010 54.9804 18.0026 179.4024 16 K 3.9636 7.8874 117.1138 59.2080 32.1875 179.4934 17 V 2.6905 7.1617 118.0374 65.7733 31.0135 177.3207 18 E 4.0124 7.6469 115.2878 57.6754 29.3471 178.4303 19 A 4.2089 7.5124 121.2813 54.3463 20.0292 177.6780 20 D 4.6844 7.8605 115.6651 52.2934 43.1945 175.7820 21 V 3.5679 7.8927 123.9756 64.1367 31.7966 178.1721 22 A 4.0497 8.0155 121.0834 55.0159 18.2990 179.7244 23 G 3.5321 8.4813 104.1771 46.0043 0.0000 175.6803 24 H 4.1260 8.1973 118.3466 58.5447 28.6120 178.0934 25 G 3.5008 8.3186 107.7929 47.7250 0.0000 175.6898 26 Q 4.0322 8.0549 120.3389 59.0243 28.7673 178.7549 27 D 4.4230 7.9424 119.7128 57.3709 40.7094 179.0455 28 I 3.6215 7.8136 120.3463 64.4712 37.0078 178.1033 29 Y 3.6779 7.8864 117.7325 60.9505 37.6347 178.6200 30 I 3.7084 7.8984 120.8712 64.3714 37.1222 178.4543 31 R 3.7905 8.0360 119.4878 59.1797 29.8507 178.2647 32 L 3.8898 7.9318 120.3181 58.4072 42.0106 179.1163 33 F 4.5451 8.1207 117.9114 60.2111 38.5412 177.6850 34 K 4.0032 8.0532 118.9272 59.4512 32.1343 178.8220 35 S 4.2679 8.0890 114.7731 60.4132 64.1912 174.4646 36 H 4.6844 8.1647 118.3630 52.0227 29.5010 171.8492 37 P 4.5821 0.0000 0.0000 64.5636 31.3498 177.5301 38 E 4.1028 8.2692 116.3287 59.5217 29.4627 179.1804 39 T 3.7680 8.1069 110.9955 64.4702 68.8110 176.2800 40 L 3.7123 8.0330 123.1043 57.8390 41.7409 178.6388 41 E 4.1402 7.8927 117.4803 58.6102 29.4353 178.6492 42 K 4.4461 8.0410 116.9334 56.9544 32.8138 177.5315 43 F 4.5756 8.2118 119.2810 55.6146 38.9430 175.6924 44 D 4.4051 8.5537 124.3931 57.3294 40.8951 178.7183 45 R 3.9217 7.6631 115.7393 57.4890 30.4674 176.7858 46 F 4.9730 7.5346 114.4165 56.6420 40.6397 176.6636 47 K 4.0537 8.1161 120.3049 59.0114 32.4807 177.8059 48 H 4.4139 8.1119 114.2742 57.1308 29.0885 175.6455 49 L 4.0946 7.5338 121.6395 54.9097 41.6774 176.9730 50 K 4.3347 9.2171 123.4079 57.4325 33.4205 177.0805 51 T 4.7385 7.3043 107.6941 58.8097 73.2032 174.1472 52 E 3.9222 8.7344 121.4465 59.3475 29.5967 178.7607 53 A 3.9878 7.9472 120.3702 55.2660 18.2810 179.3199 54 E 3.9299 7.9385 115.9250 59.6904 29.7113 179.1380 55 M 4.1349 8.1109 118.7520 58.3912 31.8453 178.8065 56 K 3.9550 8.2519 118.5863 59.1276 32.4598 178.0326 57 A 4.4262 7.8015 118.9722 52.1408 18.9169 177.1550 58 S 4.2754 7.4977 113.3340 57.3534 62.4382 174.2945 59 E 3.9910 8.8690 129.7008 59.4726 29.4642 178.2337 60 D 4.4755 8.1523 118.6077 57.2681 40.9074 178.3157 61 L 3.0694 8.1085 121.0397 57.4072 41.9252 178.8351 62 K 3.8882 7.9946 119.7085 59.6267 32.1790 178.9403 63 K 4.0413 8.2586 118.7179 59.3488 31.8280 179.1307 64 Q 4.2122 8.4489 120.1055 59.2929 28.9670 178.5485 65 G 3.6476 8.5863 106.9968 47.7945 0.0000 175.7582 66 V 3.5980 7.8772 120.4986 65.7786 31.5901 178.0728 67 R 3.9204 8.0961 118.4450 59.4153 29.9115 178.6797 68 V 3.6487 8.1338 118.1342 66.2360 31.6084 178.1339 69 L 4.1985 8.2850 118.9397 57.9643 41.4049 179.6747 70 T 4.0513 8.3352 115.9559 66.4544 68.3537 176.6096 71 A 3.9964 8.2151 122.8365 54.9792 18.3554 179.4465 72 L 3.6751 8.1538 119.0751 58.1382 42.0962 179.3482 73 G 3.2002 8.4417 105.8563 47.6442 0.0000 175.4697 74 A 3.9445 7.8753 122.1352 54.7659 18.7467 179.4624 75 I 3.7500 7.5481 118.3007 64.6870 37.2217 178.6364 76 L 3.9923 7.9113 119.9958 57.7405 41.1729 179.7311 77 K 3.9342 7.8381 117.1569 58.6215 32.2233 178.9994 78 K 3.8990 7.7807 118.3147 56.4201 32.4240 176.7239 79 K 2.0000 8.2116 118.0746 56.3128 29.6888 175.9114 80 G 3.9076 7.8023 106.1355 45.6921 0.0000 173.7327 81 H 4.5600 7.4086 119.2004 55.3375 27.6713 174.9453 82 H 5.4422 7.2592 110.4898 54.6068 29.5094 176.5503 83 E 3.9485 8.4617 122.6521 60.1764 29.1049 178.5331 84 A 4.0268 7.9113 118.8829 55.2380 18.5051 179.0130 85 E 4.1034 8.1410 116.6858 59.4151 29.6383 179.2669 86 L 4.2273 8.2191 118.9686 57.0725 41.6371 179.5295 87 K 3.9568 7.7754 119.1093 59.0474 32.0494 177.5127 88 P 4.3140 0.0000 0.0000 65.6571 31.2950 178.1786 89 L 4.0074 7.5979 120.1841 57.8560 41.9885 178.7364 90 A 4.1875 8.4912 121.1951 55.2893 18.3692 179.3579 91 Q 3.9289 8.2875 118.2733 59.3666 29.1015 178.6992 92 S 4.0627 8.3076 115.3590 61.9083 63.0184 176.2022 93 H 4.2654 8.7538 119.7985 58.0329 28.2120 177.7827 94 A 2.7551 8.1421 122.4354 54.7480 18.3662 179.0096 95 T 3.9640 7.4452 112.0036 64.6818 69.3548 176.2248 96 K 4.0807 7.4759 119.9530 58.8228 32.8666 177.2406 97 H 4.2957 8.0448 114.5733 56.2177 29.4310 175.4211 98 K 3.2776 7.5334 117.1259 57.0000 28.4006 175.2257 99 I 4.3625 8.0099 118.7069 58.7559 38.5280 174.9572 100 P 4.6316 0.0000 0.0000 62.0849 32.0947 177.7095 101 I 3.7141 8.6993 122.1092 64.6613 36.9124 178.7208 102 K 3.8964 7.8391 121.1213 59.0913 31.9169 178.1787 103 Y 4.2943 7.9831 116.8808 60.6836 37.8635 177.9328 104 L 4.2149 8.0336 119.7622 57.6798 41.6012 179.1510 105 E 4.0234 8.4132 118.8771 59.4307 29.4162 179.2913 106 F 4.5884 7.9484 117.8465 60.8249 38.9000 177.6407 107 I 3.8548 8.2372 118.2065 63.9902 37.7453 178.0829 108 S 4.1814 8.3240 116.3298 61.5584 62.5997 176.1899 109 E 4.0090 8.5589 121.8064 59.2803 29.4054 178.8007 110 A 3.9888 8.1106 120.8082 55.0746 18.3682 179.5550 111 I 3.6408 8.0771 118.6483 64.6997 37.1582 178.6590 112 I 3.7903 7.9521 120.4735 64.6748 36.9634 177.9209 113 H 4.1123 8.5122 119.2025 59.4043 29.6224 177.5236 114 V 3.5726 7.9389 119.9650 65.8904 31.2587 178.0142 115 L 3.7258 7.9419 119.0262 57.8072 41.0451 178.8513 116 H 4.3792 8.1622 117.9198 59.2795 29.8526 177.1851 117 S 4.2018 7.7981 115.1168 61.4785 63.2042 176.3196 118 R 4.0171 8.0130 120.8400 57.3212 31.0567 176.5371 119 H 5.0612 8.2348 115.5716 54.1602 29.2676 173.4005 120 P 4.3582 0.0000 0.0000 65.4258 31.7191 178.3739 121 G 3.7642 8.1359 107.1461 47.8568 0.0000 173.7787 122 N 5.1392 8.3415 115.0346 52.7014 40.3630 174.6530 123 F 4.8596 8.0099 119.0826 56.2687 39.5881 174.4012 124 G 3.8894 7.8688 108.0582 43.7882 0.0000 172.6982 125 A 3.8866 8.3717 120.6824 55.3780 18.3220 179.6007 126 D 4.1786 7.9670 116.5693 57.4652 40.9588 178.7738 127 A 3.9159 7.7492 120.7718 55.0563 18.3586 179.3044 128 Q 2.9473 7.7891 118.4546 58.7121 28.9401 178.5778 129 G 3.5364 8.1166 106.7796 47.7561 0.0000 175.4991 130 A 3.8271 7.9280 123.4065 54.9096 18.3211 179.3519 131 M 3.9716 8.1048 116.7561 58.7581 32.3248 177.8248 132 N 4.2813 8.4943 117.5705 56.6748 39.1471 176.5864 133 K 3.8297 8.1841 120.8189 59.5548 32.1979 178.5854 134 A 3.8648 8.0466 121.0781 55.0580 18.1850 179.6145 135 L 4.1283 8.2950 117.7498 57.7415 41.6746 179.4697 136 E 3.9774 8.6883 119.3000 59.1093 29.2814 179.0988 137 L 3.9344 8.0879 120.4064 58.0477 42.1450 178.4695 138 F 4.1184 8.3990 120.6810 61.7551 39.1941 177.4346 139 R 3.4150 8.2081 117.4697 58.7015 29.7792 178.9427 140 K 3.8027 8.3353 119.9130 59.7507 32.2201 178.6815 141 D 4.3222 8.2182 119.2435 57.1765 40.6916 178.7840 142 I 3.3407 7.6021 120.4720 64.2023 36.9959 178.2748 143 A 3.7547 7.8924 121.5517 54.9948 18.1336 179.5570 144 A 3.9443 7.9020 119.3044 55.2121 18.4484 180.0760 145 K 3.9735 8.0437 117.0835 59.6423 32.0460 178.9820 146 Y 4.4848 8.4209 117.5471 61.4248 37.8762 179.1556 147 K 4.0160 8.2184 119.1020 59.5689 31.9240 179.2459 148 E 4.0266 8.0228 117.8628 59.3408 29.4828 178.8866 149 L 4.2957 7.8991 117.0322 55.5860 41.9366 177.9157 150 G 3.9863 8.0210 107.2268 45.0491 0.0000 172.3131 151 Y 4.7869 7.7601 120.8045 55.3870 40.2012 175.8642 152 Q 3.8093 8.4359 126.3804 56.8620 29.3579 176.5867 153 G 3.6263 5.7691 110.8955 45.6119 0.0000 173.1179 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 0 M 8.29 4.42 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 1 V 7.61 3.73 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 0.72 0.00 0.00 1.00 0.00 0.00 2 L 8.16 4.26 0.00 0.83 0.75 0.57 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.84 4.52 0.00 4.04 3.97 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 0.00 0.00 0.00 4 E 8.85 4.24 0.00 2.20 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 2.44 2.52 0.00 5 G 8.18 3.72 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 0.00 0.00 0.00 6 E 8.16 3.90 0.00 1.94 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 2.21 2.26 0.00 7 W 8.26 4.38 0.00 3.57 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.71 4.19 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 9 L 8.08 4.06 0.00 1.88 1.73 0.88 0.82 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 10 V 7.96 3.79 2.50 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 1.19 0.00 0.00 0.94 0.00 0.00 11 L 8.52 4.25 0.00 1.82 1.77 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.52 4.25 0.00 3.29 3.44 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.87 3.83 2.50 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 1.16 0.00 0.00 0.89 0.00 0.00 14 W 8.49 3.84 0.00 3.68 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 15 A 8.04 4.00 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 16 K 7.89 3.96 0.00 1.45 1.59 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.46 7.81 17 V 7.16 2.69 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.13 0.00 0.00 18 E 7.65 4.01 0.00 2.04 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 2.30 2.22 0.00 19 A 7.51 4.21 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 20 D 7.86 4.68 0.00 2.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.89 3.57 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 0.81 0.00 0.00 0.87 0.00 0.00 22 A 8.02 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.48 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.20 4.13 0.00 3.25 3.20 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.32 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 26 Q 8.05 4.03 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 27 D 7.94 4.42 0.00 2.77 2.65 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 28 I 7.81 3.62 1.65 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 0.71 0.00 0.00 29 Y 7.89 3.68 0.00 2.76 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.71 1.84 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 1.42 0.76 0.95 0.00 0.00 31 R 8.04 3.79 0.00 1.92 2.05 0.00 2.98 0.00 0.00 2.74 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 32 L 7.93 3.89 0.00 1.72 1.41 1.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.12 4.55 0.00 3.03 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 34 K 8.05 4.00 0.00 1.87 1.79 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.49 7.81 35 S 8.09 4.27 0.00 3.75 3.55 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 36 H 8.16 4.68 0.00 2.95 2.60 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.58 0.00 2.15 2.10 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 38 E 8.27 4.10 0.00 2.30 2.30 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 2.27 2.56 0.00 39 T 8.11 3.77 4.46 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 0.87 0.00 0.00 40 L 8.03 3.71 0.00 1.19 1.67 -0.12 0.68 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 41 E 7.89 4.14 0.00 2.14 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 2.37 2.39 0.00 42 K 8.04 4.45 0.00 1.90 1.71 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.76 1.96 7.81 43 F 8.21 4.58 0.00 3.32 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 44 D 8.55 4.41 0.00 2.61 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 45 R 7.66 3.92 0.00 0.67 1.16 0.00 2.95 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 46 F 7.53 4.97 0.00 2.87 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 47 K 8.12 4.05 0.00 1.88 2.23 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.39 7.81 48 H 8.11 4.41 0.00 3.30 3.45 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.53 4.09 0.00 1.54 1.56 0.88 0.66 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 50 K 9.22 4.33 0.00 1.79 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.52 7.81 51 T 7.30 4.74 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 1.20 0.00 0.00 52 E 8.73 3.92 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 2.37 2.38 0.00 53 A 7.95 3.99 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 54 E 7.94 3.93 0.00 2.10 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 2.34 2.34 0.00 55 M 8.11 4.13 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 56 K 8.25 3.96 0.00 1.74 1.96 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 57 A 7.80 4.43 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.50 4.28 0.00 3.85 3.85 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 0.00 0.00 0.00 0.00 59 E 8.87 3.99 0.00 2.14 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 2.40 2.49 0.00 60 D 8.15 4.48 0.00 3.03 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 61 L 8.11 3.07 0.00 1.02 1.50 -0.81 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.99 3.89 0.00 1.87 1.97 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 63 K 8.26 4.04 0.00 2.06 1.91 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.60 7.81 64 Q 8.45 4.21 0.00 2.48 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.71 2.77 0.00 65 G 8.59 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 66 V 7.88 3.60 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 1.09 0.00 0.00 0.99 0.00 0.00 67 R 8.10 3.92 0.00 2.02 2.15 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 68 V 8.13 3.65 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 0.98 0.00 0.00 1.22 0.00 0.00 69 L 8.28 4.20 0.00 1.77 1.91 0.86 1.01 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 70 T 8.34 4.05 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 A 8.22 4.00 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 72 L 8.15 3.68 0.00 1.56 1.70 0.25 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.44 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 0.00 0.00 0.00 74 A 7.88 3.94 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 75 I 7.55 3.75 1.84 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 1.52 1.11 0.89 0.00 0.00 76 L 7.91 3.99 0.00 1.35 1.61 -0.06 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.84 3.93 0.00 1.75 1.79 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.51 7.81 78 K 7.78 3.90 0.00 1.86 1.79 0.00 1.73 0.00 0.00 1.58 0.00 0.00 3.19 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.58 1.75 7.81 79 K 8.21 2.00 0.00 1.21 0.74 0.00 1.41 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.49 1.03 7.81 80 G 7.80 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 0.00 0.00 0.00 81 H 7.41 4.56 0.00 3.15 3.21 0.00 5.81 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 82 H 7.26 5.44 0.00 3.29 3.45 0.00 5.65 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.46 3.95 0.00 2.12 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 2.39 2.47 0.00 84 A 7.91 4.03 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 85 E 8.14 4.10 0.00 2.24 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 2.39 2.46 0.00 86 L 8.22 4.23 0.00 1.86 1.70 1.02 0.62 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 87 K 7.78 3.96 0.00 1.80 1.88 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.66 7.81 88 P 0.00 4.31 0.00 2.31 2.33 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 89 L 7.60 4.01 0.00 1.92 1.77 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.49 4.19 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.29 3.93 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 92 S 8.31 4.06 0.00 4.03 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 93 H 8.75 4.27 0.00 3.60 3.66 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.14 2.76 0.96 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 0.00 0.00 95 T 7.45 3.96 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 1.12 0.00 0.00 96 K 7.48 4.08 0.00 1.55 1.62 0.00 1.69 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.19 1.34 7.81 97 H 8.04 4.30 0.00 3.02 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.53 3.28 0.00 1.79 1.72 0.00 1.57 0.00 0.00 1.11 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.07 1.24 7.81 99 I 8.01 4.36 2.13 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 1.36 0.98 1.19 0.00 0.00 100 P 0.00 4.63 0.00 1.88 1.83 0.00 3.02 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.81 0.00 101 I 8.70 3.71 1.82 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.83 0.87 0.00 0.00 102 K 7.84 3.90 0.00 1.67 1.65 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.03 1.01 7.81 103 Y 7.98 4.29 0.00 3.27 3.08 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 0.00 104 L 8.03 4.21 0.00 1.86 1.83 0.76 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.41 4.02 0.00 2.03 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 2.44 0.00 106 F 7.95 4.59 0.00 3.22 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 0.00 107 I 8.24 3.85 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 1.07 0.00 0.00 108 S 8.32 4.18 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 0.00 109 E 8.56 4.01 0.00 2.17 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 2.39 2.42 0.00 110 A 8.11 3.99 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 0.00 111 I 8.08 3.64 2.09 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 1.56 0.72 1.04 0.00 0.00 112 I 7.95 3.79 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.96 1.14 0.00 0.00 113 H 8.51 4.11 0.00 3.35 3.51 0.00 5.78 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 0.00 114 V 7.94 3.57 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 0.97 0.00 0.00 0.94 0.00 0.00 115 L 7.94 3.73 0.00 0.47 0.43 0.77 0.91 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 0.00 116 H 8.16 4.38 0.00 3.46 3.63 0.00 5.94 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.80 4.20 0.00 4.02 3.88 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 0.00 118 R 8.01 4.02 0.00 1.59 1.59 0.00 3.04 0.00 0.00 2.99 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 119 H 8.23 5.06 0.00 3.21 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.36 0.00 2.17 2.16 0.00 3.83 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 1.98 1.94 0.00 121 G 8.14 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 0.00 122 N 8.34 5.14 0.00 2.74 2.87 0.00 0.00 6.67 7.04 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 0.00 123 F 8.01 4.86 0.00 2.95 3.01 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 0.00 124 G 7.87 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 0.00 125 A 8.37 3.89 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 0.00 126 D 7.97 4.18 0.00 2.64 2.67 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 0.00 0.00 0.00 0.00 127 A 7.75 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 0.00 128 Q 7.79 2.95 0.00 1.13 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 129 G 8.12 3.54 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 0.00 0.00 0.00 130 A 7.93 3.83 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 0.00 131 M 8.10 3.97 0.00 2.42 2.40 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.92 0.00 132 N 8.49 4.28 0.00 2.86 2.92 0.00 0.00 6.88 6.31 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 0.00 133 K 8.18 3.83 0.00 1.91 1.73 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.37 7.81 134 A 8.05 3.86 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.30 4.13 0.00 1.76 1.83 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.69 3.98 0.00 2.16 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 2.34 2.48 0.00 137 L 8.09 3.93 0.00 1.80 1.95 1.03 0.92 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 0.00 138 F 8.40 4.12 0.00 3.14 3.31 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 0.00 139 R 8.21 3.42 0.00 1.83 1.83 0.00 3.18 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.99 0.00 140 K 8.34 3.80 0.00 1.81 1.99 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.22 4.32 0.00 2.67 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 0.00 142 I 7.60 3.34 1.15 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.34 -0.07 0.00 0.00 143 A 7.89 3.75 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 0.00 144 A 7.90 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.04 3.97 0.00 1.93 1.92 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.62 7.81 146 Y 8.42 4.48 0.00 3.15 3.19 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 0.00 147 K 8.22 4.02 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.73 1.63 7.81 148 E 8.02 4.03 0.00 2.15 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 0.00 2.36 2.53 0.00 149 L 7.90 4.30 0.00 1.87 1.74 1.04 0.88 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 0.00 150 G 8.02 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.76 4.79 0.00 2.59 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 0.00 152 Q 8.44 3.81 0.00 1.77 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 153 G 5.77 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