NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3337 8.0333 117.3313 63.4905 70.7662 172.8073 2 E 4.6542 8.7303 124.8572 54.8369 29.6911 174.5949 3 L 4.5354 8.6416 125.9344 54.3654 43.7487 176.2626 4 T 4.5387 8.0847 110.2856 60.3519 71.2915 175.9037 5 K 3.4464 8.8225 122.0954 59.9337 32.0786 179.2939 6 C 4.3103 8.1164 116.0942 59.8647 39.0748 176.0638 7 K 3.8475 7.8520 119.7078 59.3811 31.6768 179.3791 8 V 3.4128 7.6852 118.5240 66.1263 31.1547 177.9621 9 S 4.1040 7.9938 113.6651 61.9777 63.0945 176.1065 10 H 4.2104 8.4485 120.4711 59.3381 29.4676 177.1040 11 A 4.1007 8.2058 121.7504 54.4063 18.3552 178.5906 12 I 4.2059 7.5122 109.6579 60.8746 37.9079 177.6331 13 K 3.8915 7.6328 122.3448 60.4030 31.6859 178.3000 14 D 4.3497 8.1043 116.6764 57.0857 41.0205 177.3864 15 I 3.7682 7.9378 118.1346 61.2389 38.3638 174.7831 16 D 4.6327 7.8739 120.4481 56.6121 41.5016 174.9454 17 G 4.1443 9.4192 114.7935 45.7504 0.0000 173.2259 18 Y 4.0273 7.9431 117.4373 59.5472 38.1156 176.5123 19 Q 3.5071 9.6273 123.8517 56.7598 27.6027 173.6620 20 G 3.9067 8.5958 102.4226 45.6766 0.0000 173.6749 21 I 4.2673 7.5629 121.0695 59.8495 38.2895 176.1376 22 S 5.1552 8.7867 120.8713 57.2078 65.8945 175.3537 23 L 4.2469 8.3526 121.6681 57.7331 41.2076 180.0585 24 L 4.1306 7.9413 118.8169 57.8949 41.7394 179.0536 25 E 3.8970 8.0746 118.0657 59.1884 29.3630 179.5654 26 W 4.0495 8.1720 118.8155 59.5287 29.1250 178.3815 27 A 4.1993 8.3911 121.0124 55.3144 17.6986 178.9551 28 C 2.0000 7.6402 116.6104 58.9039 44.7314 175.7420 29 V 3.4840 7.8421 120.0946 66.2540 30.9779 178.0677 30 L 4.0368 8.5909 118.7929 57.4532 41.3580 179.2814 31 F 3.0811 7.9767 120.3825 61.4105 39.1085 177.0137 32 H 4.1882 7.7559 114.1310 58.6704 28.5080 177.7980 33 T 4.2608 7.8000 117.5272 65.8547 68.2995 175.7853 34 S 4.4524 7.8938 111.6614 56.9751 64.4455 174.5960 35 G 3.1842 8.4636 107.4329 46.5623 0.0000 173.9524 36 Y 3.7433 7.6763 114.0055 58.4674 35.2517 168.4439 37 D 5.0483 8.1340 121.6709 53.1014 40.7424 177.2772 38 T 4.0621 8.9680 118.9841 63.9206 68.9024 175.7295 39 Q 4.6383 8.2573 119.7875 55.3385 29.1944 175.2023 40 A 4.0761 7.9470 121.9642 52.4924 19.4205 177.4130 41 V 4.4667 8.3662 121.9259 61.0218 34.1672 174.8027 42 V 4.3981 8.4810 128.1505 61.0573 34.5009 174.2327 43 N 5.0041 8.8196 125.1648 52.0489 39.3544 174.5496 44 D 4.7863 8.8721 121.5653 54.7063 40.5529 179.0715 45 N 4.6813 9.1710 115.8630 52.9309 37.7267 172.8802 46 G 4.1602 9.0650 111.6548 44.5965 0.0000 170.9577 47 S 5.0579 7.7615 112.2542 56.4665 66.1578 172.1966 48 T 5.0193 9.0054 115.6660 61.8422 72.1611 173.2433 49 E 5.2407 9.1979 124.8319 54.8609 32.6199 174.5548 50 Y 4.9794 9.1082 121.2839 57.3440 41.7071 177.6228 51 G 4.4619 9.0607 112.8846 43.8752 0.0000 173.1773 52 L 3.9477 8.7984 118.9083 57.4582 41.7091 178.8729 53 F 4.5593 8.4716 113.2498 57.3984 39.9652 175.1411 54 Q 3.6392 8.1716 119.3643 57.0637 26.5178 174.0442 55 I 4.1597 8.0294 119.0682 61.1805 39.0009 177.2926 56 S 5.2703 8.9920 121.9618 57.7957 63.5871 174.0722 57 D 5.1897 9.0069 125.0424 53.9181 39.4350 177.5260 58 R 2.5100 7.9700 121.2697 58.5041 30.1897 177.9868 59 F 4.7451 7.4626 113.5518 57.1499 41.6979 176.8864 60 W 4.5206 8.0761 120.1576 57.9512 29.9129 173.4356 61 C 5.4826 7.8973 110.7898 53.3767 43.1859 172.6654 62 K 4.9085 8.9538 121.6412 55.0895 33.5394 175.5054 63 S 4.8972 8.4201 121.7821 56.3889 65.6569 173.6647 64 S 4.2776 8.8446 112.8603 60.5784 62.4322 174.7239 65 E 4.2970 7.9930 118.7086 57.6573 30.4706 176.9565 66 F 4.4172 7.7441 118.7068 55.1440 37.8053 174.4824 67 P 4.3019 0.0000 0.0000 64.8178 31.7742 177.4444 68 E 4.3602 8.0848 113.9611 56.0420 30.1388 176.4763 69 S 4.5363 7.8814 114.6106 58.2762 62.7530 174.2425 70 E 3.9574 8.7977 125.7044 57.3311 30.2034 176.1550 71 N 4.1100 8.1154 117.9530 54.0834 37.8047 174.8493 72 I 3.6447 7.9557 120.4817 64.9618 37.7516 177.4857 73 C 4.4732 8.7055 115.3600 56.9315 40.5508 173.3885 74 G 3.9222 8.1206 108.5117 45.7653 0.0000 173.3536 75 I 4.5161 7.0822 116.7985 58.9829 41.8739 173.4909 76 S 4.6175 8.4564 120.5700 58.0443 63.0333 175.8308 77 C 3.9851 8.8990 125.5154 60.0968 37.8157 176.1651 78 D 4.0790 7.7442 119.8330 56.6010 40.1301 178.1819 79 K 4.2384 7.9062 117.7682 57.7641 32.2819 177.9023 80 L 4.7077 7.9834 119.3070 54.5240 41.6867 177.0914 81 L 4.9222 7.5928 118.3846 54.3804 42.0490 175.6591 82 D 5.0130 7.7020 119.3388 51.9376 41.7553 175.3616 83 D 4.5661 8.4886 116.9660 55.1063 41.1939 177.1098 84 E 4.3398 7.9436 119.9033 55.2251 28.2822 176.8085 85 L 4.5099 8.0655 124.5998 55.3787 41.9899 178.2243 86 D 4.3197 8.0522 120.0570 57.4420 40.8108 178.1489 87 D 4.3478 7.9856 119.0090 56.2089 39.1545 178.2262 88 D 4.2470 7.9658 119.9578 57.2182 40.8184 178.5320 89 I 2.9561 7.6476 119.9852 64.1239 36.9163 178.3596 90 A 3.7534 7.6462 121.4359 55.1453 18.1242 178.9375 91 C 4.1124 8.1058 116.8072 59.6159 43.7820 175.5115 92 A 3.7776 7.7703 122.7747 55.1084 17.7974 179.6957 93 K 3.7463 7.9025 117.0527 59.5539 32.0788 179.7424 94 K 4.0627 7.6139 118.7541 59.3732 31.9547 179.5498 95 I 2.9350 7.3776 120.1765 63.9838 36.7026 178.4410 96 L 4.1931 8.2089 119.9428 57.8629 41.2657 179.4174 97 A 4.1263 8.1106 119.5095 54.1079 18.3867 178.8917 98 I 4.1922 7.5722 116.9810 63.0416 38.3099 176.7490 99 K 4.1631 8.0806 118.1287 56.8941 33.1816 176.6000 100 G 4.1336 8.6822 104.1769 45.1113 0.0000 173.7393 101 I 3.9360 8.3912 117.6196 64.0864 37.7616 177.0672 102 D 4.6888 8.1394 118.0702 56.0308 40.9607 176.4017 103 Y 3.9054 7.9756 120.6760 60.0392 39.0009 176.1918 104 W 4.2806 8.4310 121.2950 55.2841 28.1748 177.1149 105 K 4.0340 8.4432 123.8631 58.8263 31.9243 178.7601 106 A 4.1219 8.0854 121.4439 54.5755 18.9989 178.4236 107 Y 4.1337 8.0129 117.3361 61.0542 39.0129 178.4874 108 K 3.5692 8.1195 119.2592 58.8058 32.5908 176.2865 109 P 4.3361 0.0000 0.0000 65.4074 31.4364 176.9470 110 M 4.3334 7.9677 116.8695 55.8083 32.6726 175.6571 111 C 4.9787 7.8008 116.0646 56.8740 41.2716 174.6551 112 S 4.2081 7.9855 113.8694 58.2297 62.8540 173.3110 113 E 4.5267 7.9453 117.0621 55.8621 32.0635 174.8225 114 K 3.8475 8.5345 116.0012 57.6776 29.3657 175.7898 115 L 4.5999 7.5418 118.7232 56.9564 43.0574 179.5916 116 E 3.9768 8.3883 119.6919 59.0520 29.6627 178.6013 117 Q 3.9517 7.9758 115.3753 58.2369 28.6697 176.7484 118 W 4.5473 8.0384 117.3818 56.6412 29.3686 176.3441 119 R 4.1524 7.7510 119.9437 55.7958 30.1139 175.1191 120 C 4.5293 8.6429 124.7257 56.1629 43.7268 173.1318 121 E 3.9412 9.1429 127.8405 59.1426 29.5246 177.3254 122 K 4.2006 7.5413 117.9370 54.6871 32.5222 173.6791 123 P 4.4312 0.0000 0.0000 63.1327 31.2099 176.0674 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 1 T 8.03 4.33 4.26 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 1.23 0.00 0.00 2 E 8.73 4.65 0.00 1.98 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 2.29 2.44 0.00 3 L 8.64 4.54 0.00 1.48 1.55 0.89 0.94 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 4 T 8.08 4.54 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 1.25 0.00 0.00 5 K 8.82 3.45 0.00 2.10 1.93 0.00 2.10 0.00 0.00 2.08 0.00 0.00 2.98 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.61 1.77 7.81 6 C 8.12 4.31 0.00 2.99 3.11 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 7 K 7.85 3.85 0.00 1.91 1.81 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 8 V 7.69 3.41 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 0.83 0.00 0.00 0.28 0.00 0.00 9 S 7.99 4.10 0.00 4.04 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 10 H 8.45 4.21 0.00 3.17 3.46 0.00 5.60 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 11 A 8.21 4.10 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 12 I 7.51 4.21 1.72 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.11 0.87 0.00 0.00 13 K 7.63 3.89 0.00 1.78 1.91 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.59 7.81 14 D 8.10 4.35 0.00 2.53 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 15 I 7.94 3.77 1.54 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.96 0.52 0.00 0.00 16 D 7.87 4.63 0.00 2.76 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 17 G 9.42 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 0.00 0.00 0.00 18 Y 7.94 4.03 0.00 3.27 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 19 Q 9.63 3.51 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.30 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 20 G 8.60 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 21 I 7.56 4.27 1.92 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.59 -0.04 0.00 0.00 22 S 8.79 5.16 0.00 4.11 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 23 L 8.35 4.25 0.00 1.77 1.85 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.94 4.13 0.00 1.77 2.00 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.07 3.90 0.00 2.07 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 0.00 2.40 2.38 0.00 26 W 8.17 4.05 0.00 3.37 3.05 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 0.00 0.00 0.00 0.00 27 A 8.39 4.20 1.63 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 28 C 7.64 2.00 0.00 1.23 2.59 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 0.00 29 V 7.84 3.48 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 0.85 0.00 0.00 0.74 0.00 0.00 30 L 8.59 4.04 0.00 1.94 1.76 0.40 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.98 3.08 0.00 2.87 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 32 H 7.76 4.19 0.00 3.24 3.38 0.00 5.90 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.80 4.26 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 1.48 0.00 0.00 34 S 7.89 4.45 0.00 3.92 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 35 G 8.46 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 0.00 0.00 0.00 36 Y 7.68 3.74 0.00 3.25 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.13 5.05 0.00 2.67 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 38 T 8.97 4.06 4.45 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 1.24 0.00 0.00 39 Q 8.26 4.64 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 40 A 7.95 4.08 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 41 V 8.37 4.47 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 0.61 0.00 0.00 0.98 0.00 0.00 42 V 8.48 4.40 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 0.88 0.00 0.00 0.93 0.00 0.00 43 N 8.82 5.00 0.00 2.60 2.71 0.00 0.00 6.90 8.06 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 44 D 8.87 4.79 0.00 2.56 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 0.00 0.00 0.00 45 N 9.17 4.68 0.00 2.76 2.77 0.00 0.00 7.18 7.69 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 46 G 9.06 4.16 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 0.00 47 S 7.76 5.06 0.00 3.93 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 48 T 9.01 5.02 4.32 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 0.63 0.00 0.00 49 E 9.20 5.24 0.00 1.99 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 2.33 2.27 0.00 50 Y 9.11 4.98 0.00 2.93 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 51 G 9.06 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 0.00 0.00 0.00 0.00 52 L 8.80 3.95 0.00 1.62 1.82 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.47 4.56 0.00 3.21 3.51 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 54 Q 8.17 3.64 0.00 2.40 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.68 0.00 55 I 8.03 4.16 2.00 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 1.06 0.78 0.93 0.00 0.00 56 S 8.99 5.27 0.00 4.11 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 57 D 9.01 5.19 0.00 2.82 2.98 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 0.00 0.00 0.00 58 R 7.97 2.51 0.00 1.01 0.99 0.00 2.21 0.00 0.00 2.50 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 59 F 7.46 4.75 0.00 1.94 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 0.00 0.00 0.00 60 W 8.08 4.52 0.00 3.49 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 61 C 7.90 5.48 0.00 3.09 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 62 K 8.95 4.91 0.00 1.95 1.69 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.39 7.81 63 S 8.42 4.90 0.00 3.97 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 64 S 8.84 4.28 0.00 3.88 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 65 E 7.99 4.30 0.00 2.03 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 2.31 2.29 0.00 66 F 7.74 4.42 0.00 3.11 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 67 P 0.00 4.30 0.00 2.02 2.12 0.00 3.51 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 68 E 8.08 4.36 0.00 2.12 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 0.00 2.46 2.34 0.00 69 S 7.88 4.54 0.00 4.08 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 70 E 8.80 3.96 0.00 1.86 1.90 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 2.22 2.33 0.00 71 N 8.12 4.11 0.00 2.86 2.73 0.00 0.00 7.01 7.88 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 72 I 7.96 3.64 1.77 0.00 0.00 -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 1.05 0.47 1.02 0.00 0.00 73 C 8.71 4.47 0.00 3.21 3.15 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 0.00 74 G 8.12 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.08 4.52 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.42 0.89 0.00 0.00 76 S 8.46 4.62 0.00 3.86 3.67 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 77 C 8.90 3.99 0.00 2.14 1.43 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 78 D 7.74 4.08 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 79 K 7.91 4.24 0.00 1.89 1.96 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.60 7.81 80 L 7.98 4.71 0.00 1.88 1.79 0.96 0.76 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 81 L 7.59 4.92 0.00 1.84 1.74 1.17 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.70 5.01 0.00 2.76 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 83 D 8.49 4.57 0.00 2.68 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 84 E 7.94 4.34 0.00 1.97 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 0.00 2.30 2.31 0.00 85 L 8.07 4.51 0.00 1.66 1.73 0.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.05 4.32 0.00 2.68 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 87 D 7.99 4.35 0.00 2.90 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 88 D 7.97 4.25 0.00 2.90 2.83 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 89 I 7.65 2.96 1.83 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 1.27 0.69 0.60 0.00 0.00 90 A 7.65 3.75 1.26 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 91 C 8.11 4.11 0.00 3.01 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 92 A 7.77 3.78 0.48 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 93 K 7.90 3.75 0.00 1.76 1.68 0.00 1.26 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.87 1.22 7.81 94 K 7.61 4.06 0.00 1.94 2.00 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 95 I 7.38 2.93 1.61 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.19 0.00 0.00 96 L 8.21 4.19 0.00 1.97 1.85 1.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.11 4.13 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 98 I 7.57 4.19 2.28 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 1.03 0.00 0.00 99 K 8.08 4.16 0.00 1.93 2.02 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.60 7.81 100 G 8.68 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.39 3.94 1.59 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.54 0.80 0.00 0.00 102 D 8.14 4.69 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.98 3.91 0.00 2.62 2.32 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 0.00 104 W 8.43 4.28 0.00 3.75 3.12 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 0.00 0.00 0.00 105 K 8.44 4.03 0.00 1.71 1.86 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.27 7.81 106 A 8.09 4.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.01 4.13 0.00 2.95 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 0.00 108 K 8.12 3.57 0.00 1.76 1.77 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.35 7.81 109 P 0.00 4.34 0.00 2.18 2.13 0.00 3.91 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 2.11 2.01 0.00 110 M 7.97 4.33 0.00 1.62 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.62 0.00 111 C 7.80 4.98 0.00 2.85 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 0.00 112 S 7.99 4.21 0.00 3.72 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 0.00 113 E 7.95 4.53 0.00 2.02 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 2.13 2.31 0.00 114 K 8.53 3.85 0.00 1.97 1.90 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.46 7.81 115 L 7.54 4.60 0.00 1.79 1.83 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.39 3.98 0.00 2.07 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 2.38 2.37 0.00 117 Q 7.98 3.95 0.00 1.84 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.86 0.00 0.00 0.00 0.00 0.00 2.27 1.24 0.00 118 W 8.04 4.55 0.00 3.51 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.75 4.15 0.00 1.86 2.11 0.00 3.44 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.60 0.00 120 C 8.64 4.53 0.00 3.00 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 0.00 121 E 9.14 3.94 0.00 1.99 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 2.29 2.22 0.00 122 K 7.54 4.20 0.00 1.73 1.71 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.46 7.81 123 P 0.00 4.43 0.00 2.08 1.97 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00