NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.5527 0.0000 0.0000 62.7636 32.6554 176.7726 5 S 4.4782 8.9703 119.1614 56.2181 66.2012 173.3112 6 M 3.9900 9.2088 121.1456 58.9951 32.1408 178.9940 7 E 3.8641 8.0026 118.1687 59.3166 29.6623 178.8147 8 D 4.3789 7.7429 119.0017 57.5331 40.7812 178.5427 9 Y 3.8597 8.1520 117.1343 61.1973 37.8609 178.5312 10 I 3.7483 7.8415 120.7586 64.2278 37.1303 178.0732 11 E 3.9684 8.4490 120.3606 59.6114 29.4655 179.0497 12 Q 4.0728 7.9967 117.5199 58.8128 28.7014 178.7431 13 I 3.7524 8.1536 121.2463 64.4849 37.1980 177.6980 14 Y 4.0586 8.3857 120.6534 61.0285 38.5288 178.1359 15 M 4.0668 8.2226 119.4750 58.4582 32.0179 178.7464 16 L 3.9024 8.0846 119.1040 57.9205 41.7987 179.6824 17 I 3.5305 7.8392 119.7326 64.3976 36.7423 178.4059 18 E 3.8285 7.7126 118.6988 58.8734 29.2771 178.7511 19 E 3.9930 8.0202 118.8097 58.8716 29.9749 178.0478 20 K 4.0942 8.4485 116.5618 55.7700 33.2238 177.6111 21 G 3.9613 8.9482 106.2635 44.9230 0.0000 172.3749 22 Y 4.6347 6.3670 114.6520 56.0185 40.1898 174.2182 23 A 4.6384 8.4634 123.5939 49.9622 20.0654 176.6051 24 R 4.3049 8.4308 120.6940 56.4616 32.4381 177.6462 25 V 3.7003 8.5326 121.8971 66.3992 31.4932 178.6860 26 S 4.2012 8.0581 113.4291 61.5831 62.9923 176.0813 27 D 4.4446 8.0255 121.9594 56.9680 40.6292 178.6209 28 I 3.7799 8.0025 120.4573 64.1639 37.0491 178.2534 29 A 4.0056 8.1789 121.7681 55.1084 17.7694 179.3493 30 E 3.8615 8.3238 117.7462 59.2147 29.4832 178.8873 31 A 4.0633 7.9619 120.1941 54.4925 18.5757 178.6550 32 L 4.1989 7.7086 114.0852 53.3574 42.8667 176.2195 33 A 3.7206 7.4511 119.8716 53.4953 16.4022 176.5892 34 V 4.5075 7.7646 112.2448 59.8683 36.3389 176.0244 35 H 4.5884 8.2965 117.7347 55.0307 29.4334 175.1268 36 P 4.3402 0.0000 0.0000 65.8526 31.1841 179.0453 37 S 4.1429 8.1584 112.5565 61.8427 62.7715 176.7769 38 S 4.1920 8.1850 118.6003 60.9779 62.5229 176.8831 39 V 3.7951 7.7160 120.6018 66.4499 31.4775 177.8496 40 T 3.8382 8.2048 115.8668 66.5900 68.1757 176.3721 41 K 3.8443 7.9085 121.0250 59.7664 32.1801 178.5749 42 M 3.7868 7.8815 118.4420 58.4205 31.9180 178.1938 43 V 3.5461 8.2295 118.7546 66.2112 31.5942 178.0329 44 Q 3.9577 8.0047 117.7013 58.7876 28.4747 178.7425 45 K 3.9422 7.7534 120.5177 59.4969 32.1663 178.9883 46 L 4.2103 8.2157 119.6478 57.5221 41.0953 179.0728 47 D 4.8072 8.3039 119.9470 56.7420 41.0214 178.0816 48 K 3.9990 8.0025 118.9717 59.6238 32.3331 177.8001 49 D 4.4706 8.1643 115.7447 53.9985 41.1941 175.7778 50 E 3.7304 7.9446 118.0512 57.8674 27.3689 174.8213 51 Y 4.4503 8.1438 117.1684 58.8213 39.3462 175.4240 52 L 5.1327 7.3601 118.6060 55.2546 43.9301 173.1381 53 I 5.3445 8.8187 112.4762 59.0360 41.7064 172.8877 54 Y 5.1771 8.5814 122.5108 55.8042 41.1973 174.2813 55 E 4.4306 7.7218 125.0332 53.9688 32.5482 177.2742 56 K 4.1200 8.5824 122.5957 58.3546 32.1752 177.0399 57 Y 4.8095 7.0040 113.1210 56.5853 40.4751 175.3289 58 R 4.4043 7.0459 118.5400 55.0840 32.0250 176.9953 59 G 3.7296 7.4261 104.8529 46.0983 0.0000 172.2768 60 L 4.8719 8.5486 122.2498 55.4637 41.8556 177.0408 61 V 4.5091 8.7560 122.3598 60.8651 34.5394 174.6656 62 L 4.8148 8.6685 127.6883 54.8841 42.5907 177.0815 63 T 4.4005 8.6381 113.5535 60.4092 70.4603 175.8876 64 S 4.1272 8.5683 116.3235 61.4840 62.7528 176.4448 65 K 4.0665 8.0894 122.9286 59.3620 31.9846 178.9430 66 G 3.8755 8.0356 106.0009 47.6563 0.0000 175.9978 67 K 4.2786 8.5620 121.1646 59.2806 32.0995 179.6432 68 K 3.9919 8.3017 118.8678 59.4037 31.8783 179.5702 69 I 3.8295 7.8464 119.8947 64.2912 37.1006 178.4647 70 G 3.4700 8.2984 106.9938 47.7788 0.0000 175.4259 71 K 3.3302 7.3918 122.2065 59.0548 32.1480 179.1198 72 R 4.1987 7.9511 118.2233 59.1008 29.8975 179.1126 73 L 4.0249 8.1394 119.4284 57.7725 41.6154 179.6397 74 V 3.6427 7.9270 118.3031 65.9154 31.3546 177.4467 75 Y 4.0863 8.1679 119.4618 60.7238 38.7005 178.0703 76 R 3.5828 8.2676 119.6602 59.4503 30.1259 177.9220 77 H 3.9977 8.3433 118.0310 59.3829 29.9645 177.0466 78 E 3.9886 8.2905 120.3997 59.3126 29.2393 179.1387 79 L 3.9879 7.7987 120.4450 58.2068 42.0390 179.1010 80 L 4.0638 7.8171 118.8726 57.7106 41.4125 179.3856 81 E 3.9353 8.1568 118.6327 59.5791 29.3627 179.3797 82 Q 3.9880 8.1828 118.0585 58.7445 28.8287 178.7252 83 F 4.2844 8.4422 121.7300 61.5382 39.5589 177.3177 84 L 3.4387 8.0191 118.6024 57.2989 41.3114 179.6682 85 R 3.7969 8.1303 119.3047 59.3703 29.8856 178.6640 86 I 3.6824 7.7789 112.2190 63.5408 37.6068 177.2695 87 I 3.8124 7.0344 111.8529 60.9040 37.7132 176.4918 88 G 3.8273 7.4662 109.0510 45.3199 0.0000 174.0294 89 V 3.6199 7.3031 119.3098 62.0020 32.1900 175.7250 90 D 4.3408 8.6753 125.9995 54.8598 41.5450 176.9416 91 E 3.8914 9.1513 124.6778 59.6654 29.2465 178.8952 92 E 4.0630 8.1642 115.5687 58.6402 29.8327 178.1292 93 K 4.3444 8.0410 118.2450 56.9172 32.5907 178.6627 94 I 3.6872 7.5127 120.8362 64.4021 36.9899 177.2656 95 Y 4.0816 8.0718 119.7608 61.1134 38.6937 177.9157 96 N 4.2295 8.2846 116.6112 56.2849 38.6959 177.0869 97 D 4.2518 7.8092 120.4451 57.2542 40.8626 178.9142 98 V 3.4392 7.7015 118.6407 66.1072 31.3077 177.6982 99 E 4.0623 7.3199 118.7002 58.7590 29.3066 179.4134 100 G 3.6867 7.7602 104.5736 46.4601 0.0000 174.8902 101 I 4.2505 7.4491 114.2404 61.7485 38.9008 177.5125 102 E 3.7097 8.0561 119.2299 59.5715 29.1600 178.2897 103 H 4.7982 7.8799 113.5993 55.7052 28.7247 175.0031 104 H 4.8140 8.5832 114.3752 55.1655 29.7759 173.2155 105 L 4.6704 7.5374 119.6004 52.6358 43.8028 177.1754 106 S 4.3874 8.2323 117.5882 57.8447 65.2934 175.4840 107 W 3.9979 8.6935 122.3459 59.6824 28.7920 178.2068 108 N 4.3668 8.3435 116.7735 56.9440 38.3314 176.9329 109 S 4.0930 7.9034 116.0383 61.5747 62.9167 176.6873 110 I 3.5752 7.7358 122.4299 64.6298 36.9703 178.3285 111 D 4.5607 8.8716 119.9513 57.4149 40.5980 179.0899 112 R 4.1647 8.1731 118.7761 59.1733 30.0794 179.0814 113 I 3.6773 8.1329 120.2254 63.9490 37.0109 178.6790 114 G 3.7105 8.1673 106.9089 47.9222 0.0000 175.5779 115 D 4.4515 8.0415 121.0422 56.9277 40.9269 178.5646 116 L 3.9814 7.9914 121.0298 58.1429 42.1068 179.2416 117 V 3.8687 8.0628 118.2336 66.2062 31.5555 177.8240 118 Q 4.0441 8.2282 119.2568 59.1287 28.6314 177.3680 119 Y 4.0139 8.0978 120.2778 60.9792 39.2424 178.0946 120 F 4.2533 8.2514 118.0928 60.3291 38.8695 177.6342 121 E 4.1957 8.3712 117.2741 58.7801 29.2994 178.4745 122 E 4.2953 7.9225 119.0243 57.5413 29.9322 176.1515 123 D 4.4538 7.4790 118.0780 51.7947 43.5511 175.2859 124 D 4.4277 8.9138 127.5878 57.2082 40.6624 178.4701 125 A 4.0142 8.4290 121.5824 55.1893 18.2605 179.8802 126 R 3.9526 8.1836 116.7808 59.2513 30.1030 179.3866 127 K 4.0287 8.0364 117.9366 59.3547 32.1781 179.3475 128 K 3.9864 8.2706 118.8274 59.6887 32.1284 179.1606 129 D 4.4214 8.4453 119.3438 57.2841 40.7255 178.6294 130 L 4.0641 8.2672 120.9766 57.9755 42.1589 178.9565 131 K 4.2194 8.0258 121.0445 59.0619 32.1147 179.0310 132 S 4.1807 8.1238 115.5596 61.5935 62.6164 176.7443 133 I 3.8192 7.7559 122.2212 64.3421 36.8761 178.4406 134 Q 3.9628 8.0114 120.3431 58.3236 28.3438 179.0177 135 K 4.1215 7.9536 119.4869 58.9752 31.9589 179.4464 136 K 4.0234 7.9600 120.2664 59.7041 32.0303 178.8286 137 T 3.9647 8.6520 109.3681 63.5246 68.3510 175.1486 138 E 3.9684 7.7002 121.8621 56.5972 29.9456 175.3437 139 H 4.4852 8.2840 120.5977 56.3288 29.4679 174.3006 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 4 P 0.00 4.55 0.00 2.15 2.02 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 5 S 8.97 4.48 0.00 4.06 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 6 M 9.21 3.99 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 7 E 8.00 3.86 0.00 1.70 1.52 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 2.26 2.27 0.00 8 D 7.74 4.38 0.00 3.02 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 9 Y 8.15 3.86 0.00 3.20 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 10 I 7.84 3.75 1.80 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.92 0.00 0.00 11 E 8.45 3.97 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 12 Q 8.00 4.07 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 13 I 8.15 3.75 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 1.00 0.00 0.00 14 Y 8.39 4.06 0.00 3.18 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 M 8.22 4.07 0.00 2.14 2.28 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 2.86 2.67 0.00 16 L 8.08 3.90 0.00 1.82 1.84 0.95 0.69 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 17 I 7.84 3.53 1.83 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 1.52 0.76 0.82 0.00 0.00 18 E 7.71 3.83 0.00 1.94 1.88 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 1.68 2.10 0.00 19 E 8.02 3.99 0.00 1.93 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 2.22 2.28 0.00 20 K 8.45 4.09 0.00 1.19 0.74 0.00 1.57 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.19 1.22 7.81 21 G 8.95 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 0.00 0.00 0.00 22 Y 6.37 4.63 0.00 3.02 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 23 A 8.46 4.64 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 24 R 8.43 4.30 0.00 1.98 1.92 0.00 3.15 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 25 V 8.53 3.70 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.97 0.00 0.00 26 S 8.06 4.20 0.00 4.12 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 27 D 8.03 4.44 0.00 2.92 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 28 I 8.00 3.78 2.10 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 1.52 0.84 0.97 0.00 0.00 29 A 8.18 4.01 1.50 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 30 E 8.32 3.86 0.00 2.17 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 2.32 0.00 31 A 7.96 4.06 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 32 L 7.71 4.20 0.00 1.43 1.49 -0.21 0.67 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 7.45 3.72 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 34 V 7.76 4.51 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 0.81 0.00 0.00 0.94 0.00 0.00 35 H 8.30 4.59 0.00 3.23 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.34 0.00 2.18 2.14 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 37 S 8.16 4.14 0.00 4.05 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 38 S 8.18 4.19 0.00 4.16 4.06 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 39 V 7.72 3.80 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 1.22 0.00 0.00 1.09 0.00 0.00 40 T 8.20 3.84 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 41 K 7.91 3.84 0.00 1.80 1.94 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.57 7.81 42 M 7.88 3.79 0.00 1.40 1.32 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.81 0.00 43 V 8.23 3.55 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.00 0.00 0.00 44 Q 8.00 3.96 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 45 K 7.75 3.94 0.00 1.74 1.91 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 46 L 8.22 4.21 0.00 1.92 1.82 0.89 0.95 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 47 D 8.30 4.81 0.00 2.82 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.00 4.00 0.00 1.79 2.01 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 49 D 8.16 4.47 0.00 2.98 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 50 E 7.94 3.73 0.00 1.95 1.94 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 2.20 2.36 0.00 51 Y 8.14 4.45 0.00 3.24 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 52 L 7.36 5.13 0.00 1.97 1.85 1.00 0.47 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 53 I 8.82 5.34 1.90 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 1.08 1.81 0.93 0.00 0.00 54 Y 8.58 5.18 0.00 2.92 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 55 E 7.72 4.43 0.00 1.47 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 56 K 8.58 4.12 0.00 1.79 1.92 0.00 1.81 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.42 7.81 57 Y 7.00 4.81 0.00 2.92 2.97 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 58 R 7.05 4.40 0.00 1.40 1.58 0.00 3.36 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 59 G 7.43 3.73 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 0.00 60 L 8.55 4.87 0.00 1.77 1.89 1.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.76 4.51 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 1.07 0.00 0.00 0.91 0.00 0.00 62 L 8.67 4.81 0.00 1.67 1.70 1.15 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.64 4.40 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 1.26 0.00 0.00 64 S 8.57 4.13 0.00 4.09 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.09 4.07 0.00 1.79 1.91 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.52 7.81 66 G 8.04 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 0.00 0.00 0.00 67 K 8.56 4.28 0.00 2.03 2.04 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.61 1.72 7.81 68 K 8.30 3.99 0.00 1.98 1.86 0.00 1.68 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 1.47 1.68 7.81 69 I 7.85 3.83 2.07 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.24 0.90 0.00 0.00 70 G 8.30 3.47 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 0.00 71 K 7.39 3.33 0.00 1.71 1.84 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.53 7.81 72 R 7.95 4.20 0.00 2.24 2.43 0.00 3.23 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 73 L 8.14 4.02 0.00 1.82 1.74 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.93 3.64 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 1.11 0.00 0.00 1.14 0.00 0.00 75 Y 8.17 4.09 0.00 3.21 3.27 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 76 R 8.27 3.58 0.00 1.87 1.99 0.00 2.97 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.36 0.00 77 H 8.34 4.00 0.00 3.49 3.41 0.00 5.84 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 78 E 8.29 3.99 0.00 2.00 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 2.39 2.69 0.00 79 L 7.80 3.99 0.00 1.11 1.44 0.89 0.85 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 80 L 7.82 4.06 0.00 1.75 1.67 0.77 0.77 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 81 E 8.16 3.94 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 82 Q 8.18 3.99 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 83 F 8.44 4.28 0.00 3.06 3.30 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 84 L 8.02 3.44 0.00 1.61 1.54 0.87 0.55 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 85 R 8.13 3.80 0.00 1.93 2.05 0.00 3.08 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 1.58 1.59 0.00 86 I 7.78 3.68 1.73 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 1.81 0.58 0.95 0.00 0.00 87 I 7.03 3.81 1.62 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.31 0.65 0.00 0.00 88 G 7.47 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.30 3.62 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 0.73 0.00 0.00 0.80 0.00 0.00 90 D 8.68 4.34 0.00 2.75 2.58 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 0.00 91 E 9.15 3.89 0.00 2.05 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 2.37 2.45 0.00 92 E 8.16 4.06 0.00 2.16 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 2.26 2.39 0.00 93 K 8.04 4.34 0.00 1.88 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.44 7.81 94 I 7.51 3.69 2.01 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 1.35 0.85 0.91 0.00 0.00 95 Y 8.07 4.08 0.00 3.06 2.99 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 96 N 8.28 4.23 0.00 2.79 2.84 0.00 0.00 7.03 8.08 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 97 D 7.81 4.25 0.00 2.74 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 98 V 7.70 3.44 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 0.80 0.00 0.00 0.85 0.00 0.00 99 E 7.32 4.06 0.00 1.80 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 0.00 1.49 1.55 0.00 100 G 7.76 3.69 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 0.00 0.00 0.00 101 I 7.45 4.25 1.83 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 1.78 1.14 0.89 0.00 0.00 102 E 8.06 3.71 0.00 1.94 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.66 0.00 103 H 7.88 4.80 0.00 3.07 3.21 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.58 4.81 0.00 3.12 3.25 0.00 5.81 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.54 4.67 0.00 1.45 1.43 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.23 4.39 0.00 4.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.69 4.00 0.00 3.47 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 0.00 108 N 8.34 4.37 0.00 2.89 2.86 0.00 0.00 7.24 7.63 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 0.00 109 S 7.90 4.09 0.00 3.98 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 0.00 110 I 7.74 3.58 1.88 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.40 0.90 0.00 0.00 111 D 8.87 4.56 0.00 2.84 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 0.00 112 R 8.17 4.16 0.00 1.93 1.93 0.00 3.28 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 113 I 8.13 3.68 1.79 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.78 0.33 0.00 0.00 114 G 8.17 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 0.00 0.00 0.00 115 D 8.04 4.45 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 0.00 116 L 7.99 3.98 0.00 1.90 1.94 0.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.06 3.87 2.34 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 1.05 0.00 0.00 1.13 0.00 0.00 118 Q 8.23 4.04 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 119 Y 8.10 4.01 0.00 2.91 2.99 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 0.00 120 F 8.25 4.25 0.00 3.35 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 0.00 121 E 8.37 4.20 0.00 2.01 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 2.69 2.53 0.00 122 E 7.92 4.30 0.00 2.06 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 2.25 2.28 0.00 123 D 7.48 4.45 0.00 2.66 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 0.00 0.00 0.00 124 D 8.91 4.43 0.00 2.80 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 0.00 125 A 8.43 4.01 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 0.00 126 R 8.18 3.95 0.00 1.96 1.91 0.00 2.56 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 127 K 8.04 4.03 0.00 2.02 1.84 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.52 1.66 7.81 128 K 8.27 3.99 0.00 1.96 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.80 7.81 129 D 8.45 4.42 0.00 2.92 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 0.00 130 L 8.27 4.06 0.00 1.98 1.80 0.96 -0.25 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 0.00 131 K 8.03 4.22 0.00 2.08 1.84 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.36 7.81 132 S 8.12 4.18 0.00 4.11 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 0.00 133 I 7.76 3.82 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.05 0.93 0.00 0.00 134 Q 8.01 3.96 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 135 K 7.95 4.12 0.00 1.98 1.86 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.76 1.59 7.81 136 K 7.96 4.02 0.00 2.02 2.01 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.53 7.81 137 T 8.65 3.96 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 138 E 7.70 3.97 0.00 2.16 2.22 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 2.28 2.38 0.00 139 H 8.28 4.49 0.00 3.30 3.25 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