NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4546 8.4045 120.3641 56.1179 33.3921 176.7449 2 I 3.5042 7.2571 116.7116 60.5020 32.9657 167.5022 3 I 4.2426 10.0222 129.1013 60.5719 39.0148 176.1880 4 E 5.2344 8.8539 124.9038 56.0319 32.4599 176.4563 5 R 4.9942 7.7522 118.4053 54.8052 33.3522 180.5426 6 L 4.3518 8.6687 123.0853 53.4466 42.7207 177.2716 7 V 4.3057 8.0728 120.8351 62.4201 32.5459 176.9164 8 G 3.8599 8.7212 108.2478 45.0775 0.0000 172.1057 9 N 5.3709 8.0069 117.2778 51.7350 42.6078 175.7016 10 L 4.0804 8.6969 123.2953 57.4062 41.9788 180.0981 11 R 3.8505 8.7600 115.8204 59.2247 30.0006 178.3582 12 D 4.6218 8.4030 121.0464 57.5446 37.6217 175.8343 13 L 4.0423 6.4773 117.7998 55.0503 44.1047 175.9860 14 N 4.4519 8.6835 119.2932 53.4457 34.3830 172.6482 15 P 4.3478 0.0000 0.0000 63.1641 32.1328 176.5186 16 L 3.9207 9.1245 114.5091 55.8669 38.3662 172.5541 17 D 4.9582 8.5498 122.8296 53.6363 39.8124 174.2993 18 F 4.9135 7.8786 113.8002 55.7189 43.1164 175.8813 19 S 4.5631 8.8648 116.0574 57.1925 62.0919 171.5984 20 V 4.4605 8.0744 125.0678 61.6296 32.1081 174.5543 21 D 4.8125 9.1436 128.5706 53.8133 43.2661 174.5968 22 H 5.3801 8.5304 119.0667 53.9872 32.9864 172.5329 23 V 4.3575 8.7521 122.5912 61.7855 33.2498 174.2994 24 D 5.2226 8.5477 127.5696 52.9440 42.0802 175.5054 25 L 4.7441 8.4468 124.5696 52.4485 44.3239 176.7978 26 E 4.0497 9.0834 123.2736 55.7172 29.9097 178.3864 27 W 4.2690 8.3529 118.6213 59.4217 28.3681 178.0644 28 F 4.2360 6.1550 112.1119 58.3042 37.4883 175.5272 29 E 4.4415 7.4623 120.9632 56.6533 29.6085 177.6208 30 T 4.0594 7.7963 111.3354 63.8314 69.0634 176.4575 31 R 4.5346 7.7549 119.0326 55.5733 30.5303 181.9677 32 K 3.9224 7.7311 119.2021 59.0944 32.6385 177.1532 33 K 4.5170 8.7969 125.8825 55.7373 34.2793 173.0419 34 I 5.0583 7.2441 119.3446 59.7580 39.8695 175.0939 35 A 4.1386 8.3544 127.5874 51.6710 23.5318 174.2847 36 R 4.6677 8.1524 118.8429 54.6836 32.2733 174.7408 37 F 5.1338 8.9857 124.1532 55.4699 43.4017 173.7442 38 K 5.0933 8.5462 120.3917 54.9328 34.7385 176.2284 39 T 4.3416 8.8110 118.2173 60.8201 70.1526 175.3065 40 R 3.8374 8.5450 121.3417 59.7542 29.9328 177.2975 41 Q 4.2103 8.3559 113.8962 56.0423 28.4715 176.9514 42 G 3.9605 8.1409 106.7543 44.8202 0.0000 174.3845 43 K 4.0414 7.8638 121.7283 57.5275 33.3612 175.9706 44 D 5.1138 8.5580 124.3102 52.8032 41.1776 175.3245 45 I 4.7958 9.0176 124.0591 58.4288 41.7402 174.1945 46 A 5.1612 8.6981 127.3211 50.0389 21.8680 174.6312 47 I 4.7998 9.0152 117.2143 59.6113 40.2413 175.3818 48 R 4.8101 8.8082 125.1396 54.3773 31.9102 173.7952 49 L 4.7009 9.0839 125.4443 54.6663 43.0981 177.0258 50 K 4.3250 8.8248 126.7147 53.7459 33.1671 175.5994 51 D 4.2704 8.5966 126.4660 53.8760 36.9828 174.6439 52 A 4.1761 7.6357 121.3204 51.1896 19.7594 176.1206 53 P 4.3800 0.0000 0.0000 62.9955 32.0448 178.3248 54 K 3.9157 8.8044 123.2714 57.7552 31.6646 176.1181 55 L 4.1428 7.7851 116.7580 55.4241 41.9143 175.7364 56 G 3.8767 7.7356 103.8480 43.7505 0.0000 173.2535 57 L 4.2191 8.4790 119.7338 54.4758 42.4332 177.5744 58 S 4.8641 9.8582 120.1556 56.2868 64.9325 173.3824 59 Q 3.9979 8.6763 122.9311 58.3585 28.9581 177.6926 60 G 3.9568 9.2054 113.1468 45.1864 0.0000 172.6209 61 D 4.7827 7.7708 120.7162 54.4556 42.0356 175.7393 62 I 4.3724 8.7362 125.7274 61.3610 37.6297 176.7245 63 L 4.4748 9.0991 127.4068 55.7061 42.7638 176.8569 64 F 4.5142 7.8812 120.4843 57.8635 42.8843 173.5744 65 K 5.0925 8.5879 131.8317 54.7993 35.1987 173.7010 66 E 4.5791 9.1513 123.0478 53.9839 33.2689 174.0226 67 E 4.0168 9.0275 131.1073 57.5147 27.2524 177.2981 68 K 4.5922 8.9911 132.8004 55.2849 32.9766 175.9347 69 E 5.0213 8.2318 119.1297 56.7549 30.7540 175.6570 70 I 5.1101 8.7489 125.2678 59.4975 41.0292 174.5518 71 I 4.9838 8.7487 125.7556 59.5437 39.9350 174.6275 72 A 5.1534 8.8295 127.6605 49.8768 23.1587 175.0176 73 V 4.0139 8.7089 120.5031 62.6005 32.9686 174.5132 74 N 5.3149 9.3393 126.3745 51.8391 42.0418 172.7330 75 I 4.7645 9.7767 127.7731 59.5112 38.5085 175.7868 76 L 4.2080 8.7063 128.3987 54.5896 42.1056 177.1773 77 D 4.9265 8.6180 122.3272 54.9241 41.9982 175.1496 78 S 4.7445 9.1392 114.8403 57.0510 67.6393 172.6847 79 E 4.5292 8.7980 119.5717 56.3821 30.3896 176.5163 80 V 4.7849 9.0385 124.4965 61.0858 35.4410 174.2046 81 I 4.4667 8.8257 129.0225 61.2625 38.6958 174.5632 82 H 4.7496 9.2932 125.3097 54.4720 30.1470 173.7267 83 I 4.7956 9.2364 126.2104 59.9709 38.9715 174.9814 84 Q 4.9883 9.2373 128.9399 54.2808 30.1573 174.5710 85 A 4.6234 9.7104 131.9025 52.0325 19.0908 178.3061 86 K 4.0586 10.5675 123.6600 56.6955 32.3900 177.0814 87 S 4.8540 7.7488 111.0144 56.1032 67.3263 174.8670 88 V 3.6501 8.8413 120.8377 66.1300 31.0899 177.5878 89 A 3.9911 8.1076 119.9254 55.4598 18.3098 179.1944 90 E 3.9730 8.3201 117.5496 59.0490 29.6487 179.2042 91 V 3.4869 8.0730 118.5507 65.9052 31.5721 177.8052 92 A 3.9624 7.9835 120.5069 54.9301 18.0999 179.5279 93 K 3.8980 8.0820 118.0156 59.7029 32.3539 178.8086 94 I 3.6484 8.1620 120.3498 64.9760 37.0202 178.3035 95 C 3.9821 8.4180 117.4801 62.6123 27.7569 175.7257 96 Y 4.0351 8.2503 121.4923 60.8312 38.5298 177.6384 97 E 3.7134 8.5053 119.8558 59.3965 29.5121 179.5508 98 I 3.7707 7.9117 120.0476 64.1311 36.9667 178.4713 99 G 3.5976 8.0053 106.0283 47.7322 0.0000 174.8396 100 N 4.1135 7.6330 118.4573 56.4992 38.8193 176.8710 101 R 3.8589 7.6862 119.2602 57.5631 29.8555 177.3730 102 H 4.2370 7.8180 113.2794 55.7802 27.0556 174.7379 103 A 4.0719 7.2726 121.5273 52.2480 18.7076 177.8032 104 A 4.3156 8.2556 122.1124 52.1247 19.6176 176.9709 105 L 4.9541 7.6578 120.3750 53.9939 45.9516 174.2522 106 Y 5.1436 9.1526 121.7415 56.0694 42.4640 174.5545 107 Y 4.2188 8.6537 120.3920 58.6488 38.7142 176.9901 108 G 4.1144 8.0876 113.3068 44.5949 0.0000 174.8283 109 E 4.6009 8.6698 121.3393 55.0715 30.3689 171.3609 110 S 4.5973 7.4121 115.2125 59.0613 65.3286 176.7974 111 Q 3.8970 8.9699 119.5011 57.7110 27.9620 177.3676 112 F 4.8747 8.3757 115.1549 56.9568 39.3267 173.9148 113 E 5.2336 7.8772 122.5898 54.8269 31.5946 174.8418 114 F 5.0682 9.2281 123.6185 56.0843 44.3811 173.5447 115 K 5.0382 9.3153 119.7046 55.1724 36.0981 175.4960 116 T 4.9481 8.6110 118.3996 59.2513 71.1613 171.3298 117 P 4.5072 0.0000 0.0000 62.8468 32.2888 175.6250 118 F 4.4806 8.5117 124.3719 58.1705 40.2673 174.9772 119 E 4.2572 7.9152 126.3887 54.3043 33.8540 176.2351 120 K 3.5476 8.6749 129.0848 59.5905 31.6244 174.4121 121 P 4.3568 0.0000 0.0000 65.8593 31.1880 178.5524 122 T 3.7974 7.7780 113.6731 66.8288 68.3769 176.1390 123 L 3.9386 7.7070 121.5924 57.4803 42.0663 178.8445 124 A 3.9230 8.2295 121.5104 54.9588 18.3836 178.8998 125 L 3.8210 8.2659 119.2122 58.7386 42.0068 179.3921 126 L 4.1760 8.2189 121.1180 58.2652 41.4892 180.1954 127 E 3.9738 8.3094 118.3929 60.8129 29.5378 181.3189 128 K 3.9988 8.2243 120.2526 59.6190 32.3413 178.3664 129 L 4.2356 8.2879 116.1068 54.7024 41.6789 177.0938 130 G 3.9578 8.2157 107.4707 46.3963 0.0000 173.7977 131 V 4.1397 8.0277 121.5542 62.0609 33.0014 176.2775 132 Q 4.4135 8.6581 128.2831 55.7704 28.9548 173.0893 133 N 6.0982 8.6968 122.8311 51.4832 40.6859 174.5573 134 R 4.7641 8.4870 119.6614 55.0259 33.6339 175.4810 135 V 4.4623 8.4682 123.4463 62.0835 32.6683 175.1746 136 L 4.6012 8.7166 125.8082 53.4265 46.7515 174.7129 137 S 4.9954 8.6445 118.2765 58.4092 63.0603 172.9274 138 S 4.6638 8.7525 122.4105 57.7679 66.4070 172.6481 139 K 4.5634 8.4535 121.2660 54.8148 33.1884 176.6997 140 L 3.6476 8.0815 127.5677 53.6368 40.5837 175.8275 141 D 4.5642 8.1204 123.9623 53.4640 42.2837 177.0994 142 S 4.4264 9.1559 123.0579 61.8140 62.9595 176.7174 143 K 4.1109 7.9393 116.9560 58.8973 32.5081 177.2106 144 E 4.7387 8.4300 118.8744 56.0645 29.8817 175.8487 145 R 3.7758 8.0779 119.7852 55.8120 30.6291 175.8331 146 L 4.3394 7.8385 123.3683 53.9686 41.4642 176.9586 147 T 3.4559 7.8563 113.4343 62.8539 69.6259 173.5437 148 V 3.1750 7.5635 120.7717 62.3321 28.9699 171.9609 149 S 4.3177 7.9690 119.4458 59.1677 62.6135 175.0005 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 M 8.40 4.45 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 2 I 7.26 3.50 1.87 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 1.41 0.50 0.91 0.00 0.00 3 I 10.02 4.24 1.97 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 1.49 0.88 1.04 0.00 0.00 4 E 8.85 5.23 0.00 1.89 2.05 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 2.42 2.11 0.00 5 R 7.75 4.99 0.00 1.53 1.62 0.00 3.27 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.22 0.00 6 L 8.67 4.35 0.00 1.53 1.63 0.93 0.92 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 7 V 8.07 4.31 2.05 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 0.73 0.00 0.00 0.89 0.00 0.00 8 G 8.72 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 0.00 0.00 0.00 9 N 8.01 5.37 0.00 2.66 2.62 0.00 0.00 7.12 7.66 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 10 L 8.70 4.08 0.00 1.71 1.69 0.93 0.77 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 11 R 8.76 3.85 0.00 1.86 2.32 0.00 3.07 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 12 D 8.40 4.62 0.00 2.78 2.77 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 13 L 6.48 4.04 0.00 1.71 1.46 0.92 1.08 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 14 N 8.68 4.45 0.00 3.04 2.97 0.00 0.00 6.99 8.02 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 15 P 0.00 4.35 0.00 2.33 2.14 0.00 4.14 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 16 L 9.12 3.92 0.00 1.83 1.81 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.55 4.96 0.00 2.87 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 18 F 7.88 4.91 0.00 2.85 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 19 S 8.86 4.56 0.00 3.96 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 20 V 8.07 4.46 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 0.56 0.00 0.00 0.96 0.00 0.00 21 D 9.14 4.81 0.00 2.73 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.53 5.38 0.00 3.09 3.07 0.00 5.85 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 23 V 8.75 4.36 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 0.26 0.00 0.00 0.86 0.00 0.00 24 D 8.55 5.22 0.00 2.53 2.53 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 25 L 8.45 4.74 0.00 1.43 1.38 0.78 0.39 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 26 E 9.08 4.05 0.00 1.16 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 2.13 1.96 0.00 27 W 8.35 4.27 0.00 3.61 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 28 F 6.15 4.24 0.00 2.70 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 0.00 0.00 0.00 29 E 7.46 4.44 0.00 1.93 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 2.31 1.78 0.00 30 T 7.80 4.06 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 31 R 7.75 4.53 0.00 1.84 1.85 0.00 3.29 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.19 0.00 32 K 7.73 3.92 0.00 1.90 1.90 0.00 2.00 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.49 7.81 33 K 8.80 4.52 0.00 1.43 1.79 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.02 7.81 34 I 7.24 5.06 1.86 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 1.27 1.09 0.87 0.00 0.00 35 A 8.35 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.15 4.67 0.00 1.66 1.63 0.00 3.13 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.00 37 F 8.99 5.13 0.00 3.07 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.55 5.09 0.00 1.75 1.69 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.66 7.81 39 T 8.81 4.34 4.43 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 1.18 0.00 0.00 40 R 8.54 3.84 0.00 1.99 2.06 0.00 3.26 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 41 Q 8.36 4.21 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.38 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 42 G 8.14 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 43 K 7.86 4.04 0.00 1.71 1.69 0.00 1.49 0.00 0.00 1.99 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.45 7.81 44 D 8.56 5.11 0.00 2.46 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 9.02 4.80 1.98 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 1.16 0.92 1.07 0.00 0.00 46 A 8.70 5.16 1.20 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 47 I 9.02 4.80 1.97 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 1.42 1.45 1.15 0.00 0.00 48 R 8.81 4.81 0.00 1.72 1.84 0.00 3.27 0.00 0.00 3.15 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 49 L 9.08 4.70 0.00 1.56 1.62 0.97 0.74 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 50 K 8.82 4.32 0.00 1.49 1.59 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.29 1.26 7.81 51 D 8.60 4.27 0.00 2.85 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.64 4.18 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 53 P 0.00 4.38 0.00 2.26 2.22 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.98 0.00 54 K 8.80 3.92 0.00 1.80 1.79 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.05 7.81 55 L 7.79 4.14 0.00 1.69 1.95 0.97 0.98 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 56 G 7.74 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 57 L 8.48 4.22 0.00 1.65 1.61 0.94 1.09 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 58 S 9.86 4.86 0.00 3.87 3.79 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 59 Q 8.68 4.00 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 60 G 9.21 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 61 D 7.77 4.78 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.74 4.37 2.05 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.95 0.92 0.00 0.00 63 L 9.10 4.47 0.00 1.65 1.81 0.95 0.80 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 64 F 7.88 4.51 0.00 3.15 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 65 K 8.59 5.09 0.00 1.52 1.53 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.71 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.01 7.81 66 E 9.15 4.58 0.00 1.85 1.83 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 2.12 2.11 0.00 67 E 9.03 4.02 0.00 2.21 1.35 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 2.24 2.27 0.00 68 K 8.99 4.59 0.00 1.66 1.78 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.00 7.81 69 E 8.23 5.02 0.00 2.25 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 2.37 2.48 0.00 70 I 8.75 5.11 1.81 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.56 0.85 0.00 0.00 71 I 8.75 4.98 1.87 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.49 0.86 0.00 0.00 72 A 8.83 5.15 1.11 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 73 V 8.71 4.01 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 0.94 0.00 0.00 0.86 0.00 0.00 74 N 9.34 5.31 0.00 2.72 2.79 0.00 0.00 6.80 7.73 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 75 I 9.78 4.76 1.97 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 1.23 0.71 0.94 0.00 0.00 76 L 8.71 4.21 0.00 1.47 1.59 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.62 4.93 0.00 2.54 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.14 4.74 0.00 3.98 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 0.00 79 E 8.80 4.53 0.00 1.94 1.78 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 2.36 2.16 0.00 80 V 9.04 4.78 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 0.86 0.00 0.00 0.85 0.00 0.00 81 I 8.83 4.47 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 0.98 0.00 0.00 82 H 9.29 4.75 0.00 3.27 3.28 0.00 5.60 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 9.24 4.80 2.15 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 1.16 0.83 1.02 0.00 0.00 84 Q 9.24 4.99 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 85 A 9.71 4.62 1.51 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 0.00 0.00 86 K 10.57 4.06 0.00 1.80 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.24 7.81 87 S 7.75 4.85 0.00 4.06 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 88 V 8.84 3.65 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.04 0.00 0.00 89 A 8.11 3.99 1.35 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 0.00 0.00 90 E 8.32 3.97 0.00 2.13 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 0.00 2.35 2.35 0.00 91 V 8.07 3.49 2.25 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 0.67 0.00 0.00 1.16 0.00 0.00 92 A 7.98 3.96 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 93 K 8.08 3.90 0.00 1.86 1.83 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.53 7.81 94 I 8.16 3.65 1.96 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 1.52 0.60 0.79 0.00 0.00 95 C 8.42 3.98 0.00 2.75 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 96 Y 8.25 4.04 0.00 3.02 3.14 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 97 E 8.51 3.71 0.00 2.18 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 2.23 2.35 0.00 98 I 7.91 3.77 1.76 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 1.39 0.80 0.83 0.00 0.00 99 G 8.01 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.63 4.11 0.00 2.49 2.64 0.00 0.00 7.19 8.40 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 0.00 101 R 7.69 3.86 0.00 2.06 1.90 0.00 3.22 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 102 H 7.82 4.24 0.00 3.36 3.38 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.27 4.07 1.23 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 0.00 0.00 0.00 104 A 8.26 4.32 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 0.00 105 L 7.66 4.95 0.00 1.63 1.29 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 9.15 5.14 0.00 2.87 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 0.00 107 Y 8.65 4.22 0.00 2.93 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 0.00 108 G 8.09 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 0.00 109 E 8.67 4.60 0.00 1.95 1.80 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 2.16 2.08 0.00 110 S 7.41 4.60 0.00 3.97 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 0.00 111 Q 8.97 3.90 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.41 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 112 F 8.38 4.87 0.00 3.09 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.88 5.23 0.00 2.26 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 2.17 2.41 0.00 114 F 9.23 5.07 0.00 3.04 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 0.00 115 K 9.32 5.04 0.00 1.58 1.46 0.00 1.38 0.00 0.00 1.45 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.97 1.26 7.81 116 T 8.61 4.95 4.30 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 1.21 0.00 0.00 117 P 0.00 4.51 0.00 2.01 2.07 0.00 3.78 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.18 0.00 118 F 8.51 4.48 0.00 3.13 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 0.00 119 E 7.92 4.26 0.00 1.88 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 120 K 8.67 3.55 0.00 1.75 1.85 0.00 1.81 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 1.46 1.13 7.81 121 P 0.00 4.36 0.00 2.07 2.09 0.00 3.34 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 122 T 7.78 3.80 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 1.15 0.00 0.00 123 L 7.71 3.94 0.00 1.69 1.69 0.99 1.27 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 0.00 124 A 8.23 3.92 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 0.00 125 L 8.27 3.82 0.00 1.67 1.88 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.22 4.18 0.00 1.84 1.72 0.97 1.28 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 0.00 127 E 8.31 3.97 0.00 1.99 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 2.24 2.18 0.00 128 K 8.22 4.00 0.00 1.89 2.01 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.51 7.81 129 L 8.29 4.24 0.00 1.77 1.71 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.22 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 0.00 131 V 8.03 4.14 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 0.78 0.00 0.00 1.02 0.00 0.00 132 Q 8.66 4.41 0.00 1.79 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.36 1.93 0.00 133 N 8.70 6.10 0.00 2.77 2.81 0.00 0.00 6.04 7.66 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 0.00 134 R 8.49 4.76 0.00 1.47 1.77 0.00 3.24 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.15 0.00 135 V 8.47 4.46 2.05 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 0.86 0.00 0.00 1.06 0.00 0.00 136 L 8.72 4.60 0.00 1.54 1.41 0.64 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.64 5.00 0.00 3.85 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 0.00 138 S 8.75 4.66 0.00 3.91 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 0.00 139 K 8.45 4.56 0.00 1.87 1.67 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.76 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.25 1.56 7.81 140 L 8.08 3.65 0.00 1.04 0.13 -0.34 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.12 4.56 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 0.00 142 S 9.16 4.43 0.00 4.11 4.21 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 0.00 143 K 7.94 4.11 0.00 1.94 1.99 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.47 7.81 144 E 8.43 4.74 0.00 2.38 2.25 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 2.39 2.32 0.00 145 R 8.08 3.78 0.00 1.76 1.72 0.00 3.24 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.00 146 L 7.84 4.34 0.00 1.49 1.47 0.63 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 147 T 7.86 3.46 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 1.24 0.00 0.00 148 V 7.56 3.18 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 0.77 0.00 0.00 0.90 0.00 0.00 149 S 7.97 4.32 0.00 3.90 3.78 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