NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.1728 8.3344 116.7725 57.8546 64.8588 173.7968 5 V 4.0140 7.3402 124.0588 59.6657 32.5999 169.8902 6 V 3.7971 9.0647 128.4571 62.7026 33.0468 174.7952 7 K 4.7108 8.0915 123.5726 54.2614 34.8744 176.5090 8 S 4.3455 8.8096 117.0502 61.5694 62.7773 175.4957 9 E 4.7028 7.9541 116.3176 56.8686 30.0536 175.9093 10 D 4.7417 7.8777 116.3573 54.8839 42.4575 177.3245 11 Y 4.1743 8.0626 118.0105 59.3315 37.7809 176.8376 12 A 4.3421 7.0984 121.4410 52.0743 19.2137 176.5504 13 L 4.8379 7.1736 115.5913 51.6863 44.8683 174.8854 14 P 4.3623 0.0000 0.0000 63.1522 31.7471 175.6245 15 S 4.7763 8.1855 114.4247 56.7948 66.3744 172.1014 16 Y 4.5550 8.4251 121.0039 56.1627 39.7400 174.8772 17 V 4.3418 7.2339 118.5507 59.6314 35.5546 175.0932 18 D 4.6103 8.4906 122.8883 52.6776 40.9161 175.9481 19 R 4.4507 7.8815 124.0120 54.1306 32.9805 175.7538 20 R 3.4551 8.7769 124.9651 59.3438 30.1496 177.0567 21 D 4.8128 8.0009 113.8980 53.5764 40.0327 176.3408 22 Y 4.8229 8.1375 120.7535 55.8783 38.9153 173.7627 23 P 4.5275 0.0000 0.0000 64.9635 32.0520 177.2004 24 L 4.6987 6.7125 119.4779 51.5954 41.0272 174.3233 25 P 4.6596 0.0000 0.0000 62.2321 32.0194 176.8468 26 D 4.5818 8.7176 119.3394 56.7594 41.0183 177.1152 27 V 4.5399 7.3978 109.9280 58.8952 35.6757 174.9110 28 A 4.0809 8.3523 124.6738 52.1129 18.9110 177.3512 29 H 3.6046 8.3056 121.9182 58.1679 29.8995 175.4814 30 V 4.0989 7.5743 119.0397 60.8065 32.3920 174.7509 31 K 4.1124 8.5476 126.8313 57.6346 33.5461 176.1471 32 N 4.6654 7.8729 116.6591 51.4100 38.5921 174.0101 33 L 4.3356 8.2154 124.3582 53.2528 42.7997 177.9456 34 S 4.3096 8.5136 118.5088 58.1975 64.4133 175.1852 35 A 3.9711 8.4432 123.4039 55.2791 18.0230 179.9554 36 S 4.1554 7.9554 112.2749 61.3330 63.3482 176.5306 37 Q 3.9515 7.8045 121.7126 58.8580 28.5445 178.7404 38 K 3.8264 8.2920 119.3474 59.5848 32.0591 179.2188 39 A 3.9798 7.6497 120.2725 55.1189 18.3922 179.3775 40 L 3.9922 8.3201 119.3255 58.3754 41.8884 179.3869 41 K 4.1127 8.2336 117.7627 59.0738 32.2503 178.9685 42 E 4.1305 8.2156 119.2710 59.2658 29.4185 179.1028 43 K 3.9636 8.5968 120.0285 59.5357 32.0282 178.2889 44 E 4.5113 8.0747 118.3699 58.9236 29.5671 178.4348 45 K 4.2374 7.9356 116.4168 57.2733 32.3335 176.7997 46 A 4.4386 7.7652 122.5062 50.0202 20.4206 176.5874 47 S 3.8375 8.4276 112.4714 58.8298 62.7274 175.5528 48 W 4.6844 8.5858 126.4757 59.0290 29.3774 178.5491 49 S 4.2499 7.7246 113.5909 61.6943 62.2549 175.7027 50 S 4.3663 7.7691 113.7888 59.7013 62.7621 174.1899 51 L 4.6598 7.5853 121.6221 53.6755 42.6618 177.3922 52 S 4.4480 9.5992 118.4848 57.8666 65.2395 175.3631 53 I 3.6822 8.4391 124.5046 65.2988 36.8890 178.3146 54 D 4.3637 8.0354 118.7221 57.1685 40.6643 178.5564 55 E 3.9967 8.2015 119.3895 59.0713 29.4577 179.2072 56 K 3.8410 8.4368 119.0457 59.7501 32.3454 179.4389 57 V 3.6624 8.0196 118.3671 65.9338 31.3259 177.7352 58 E 3.9731 8.1466 119.1264 59.2523 29.4161 178.6785 59 L 3.9957 8.3153 119.5033 58.0238 41.6457 178.9794 60 Y 4.1181 8.1685 119.4974 60.6561 38.5997 177.7308 61 R 4.5170 7.7208 117.9632 57.1668 30.6436 178.5974 62 L 4.0631 7.8899 119.7988 57.7100 41.7133 179.1919 63 K 3.6735 7.5995 119.6055 57.4300 31.8189 176.5134 64 F 5.2622 7.5296 116.7407 55.2627 41.8604 174.8368 65 K 3.6676 8.6944 125.1931 57.1934 32.5916 176.3124 66 E 4.9885 8.5394 120.4564 54.3938 31.9803 177.0347 67 S 5.3324 9.0752 119.4730 57.4556 65.4736 175.7054 68 F 3.9098 8.9783 120.2158 60.6295 38.4140 177.6146 69 A 4.0734 8.1325 118.6972 55.2761 18.2892 179.1273 70 E 4.0979 8.1663 116.7494 59.8380 29.4358 179.5888 71 M 4.1006 8.5281 115.5739 57.7206 31.3131 177.2187 72 N 4.6826 7.7354 115.3105 52.2850 39.5062 175.4731 73 R 4.1058 7.1502 118.1894 55.8706 30.2680 176.7772 74 S 4.6159 8.2977 115.2433 57.5728 64.9857 172.0999 75 T 4.7309 7.9678 109.3535 60.8709 71.4367 173.0044 76 N 4.7668 8.5367 115.7430 53.2456 39.0705 176.6481 77 E 3.9283 8.1978 121.6909 59.2870 29.5184 178.8452 78 W 4.3274 8.4262 116.0511 59.5806 27.8770 177.9451 79 K 3.0031 6.2707 118.8776 59.4278 31.3994 179.3235 80 T 3.7775 7.5222 115.0200 66.4717 68.3532 176.9161 81 V 3.5934 7.8795 120.1319 66.0921 31.6644 178.3261 82 V 3.7803 8.5350 118.5231 65.9529 31.4128 178.2822 83 G 3.5903 8.5097 105.7369 47.5932 0.0000 175.5550 84 A 4.1436 8.5347 123.5016 54.9260 18.4157 179.3576 85 A 4.1641 8.4790 119.5959 55.9655 18.3626 179.7900 86 M 4.0790 8.2805 116.9768 58.4707 31.8927 178.8169 87 F 4.0455 8.3160 120.8745 61.3411 39.6709 177.3092 88 F 3.9125 8.5055 117.4449 60.3870 38.4816 177.7451 89 I 4.0457 8.0373 119.0570 63.7771 37.3136 178.4202 90 G 3.5921 8.1850 107.3010 47.7415 0.0000 175.4863 91 F 3.8646 7.9712 123.7722 61.2557 39.2521 177.3681 92 T 3.7283 7.8472 114.8477 66.3363 68.1597 176.4544 93 A 4.0020 7.8531 122.3343 55.0235 18.2346 179.7005 94 L 3.9105 7.5698 117.7688 57.8138 41.5098 179.6181 95 L 3.9539 7.2901 118.5508 57.6537 41.5998 179.3448 96 L 4.0605 7.9355 119.0363 57.7113 41.5291 179.6521 97 I 3.7227 8.1318 120.2649 64.0466 37.1033 178.0416 98 W 4.3008 8.6095 129.6792 60.7069 30.4384 177.6093 99 E 3.9586 8.7225 119.4394 59.2340 28.8951 178.7094 100 K 4.2034 8.0629 118.6448 59.4387 32.2729 178.0541 101 H 4.0945 7.8540 117.9323 58.7647 30.0155 176.0560 102 Y 4.1047 7.6922 115.8278 57.7592 38.4816 176.4098 103 V 3.9524 7.3898 118.0792 64.4135 32.9095 175.6232 104 Y 4.5298 7.4677 116.3554 57.8267 38.5195 176.4333 105 G 3.9929 8.3915 113.8847 43.9876 0.0000 171.3369 106 P 4.4345 0.0000 0.0000 61.9916 32.2781 175.7525 107 I 4.0125 7.7104 113.3133 58.9939 39.1643 173.7400 108 P 4.3729 0.0000 0.0000 62.6053 31.8665 177.5822 109 H 4.2139 8.6519 116.4022 58.3715 28.3665 177.1518 110 T 2.5381 7.0015 108.8241 62.7583 68.6099 174.8298 111 F 4.2912 7.6644 119.8704 58.2574 39.8343 176.6294 112 E 4.0535 7.8867 120.4409 56.8170 31.0161 177.5691 113 E 3.9826 8.9465 122.7772 59.4515 29.7287 179.0283 114 E 3.9001 8.2065 118.7197 59.0116 29.8449 177.9810 115 W 4.0611 8.4324 128.0696 60.8064 30.5460 177.8105 116 V 3.6709 8.3780 117.8555 65.9431 31.0340 177.7533 117 A 4.0298 8.2914 120.6457 55.0654 18.1409 179.7912 118 K 3.7259 7.9836 116.8439 59.5661 32.1668 179.0278 119 Q 3.8256 7.9975 120.1772 59.6901 28.8421 178.7906 120 T 3.9663 8.2429 116.7028 66.6604 68.5855 176.0212 121 K 3.5148 7.7222 121.0089 59.6441 32.1209 178.3085 122 R 3.8055 8.0526 118.8146 59.9633 29.9061 178.0724 123 M 4.0275 8.5034 118.4857 58.7144 32.0080 178.8265 124 L 4.1667 8.0805 118.8082 57.6306 41.5022 179.2139 125 D 4.4702 8.4882 119.1234 56.8380 40.8451 177.5560 126 M 4.2787 8.0515 114.8044 54.0934 32.4257 175.9209 127 K 4.2744 7.7950 116.9581 56.2263 30.3417 176.4140 128 V 3.4312 8.1405 118.0401 64.9175 32.7557 175.0241 129 A 4.3195 8.7303 127.9143 52.9719 15.4906 175.2226 130 P 4.5690 0.0000 0.0000 63.9311 32.7557 178.6879 131 I 4.1872 7.8176 119.1748 63.4542 37.7599 176.2435 132 Q 4.5895 7.9461 113.9721 57.0138 34.0450 176.2626 133 G 3.8503 8.3058 105.8166 47.9884 0.0000 173.1576 134 F 4.9766 8.3444 120.9356 59.5917 44.2782 176.5128 135 S 4.2787 9.1279 116.6133 61.2800 63.0625 176.7003 136 A 4.2216 8.2866 122.0924 54.5016 18.3224 177.9284 137 K 4.4557 8.3276 114.1107 56.1416 32.7968 175.7033 138 W 4.5971 7.9658 129.7008 55.2851 31.7977 174.7708 139 D 4.4412 7.4452 125.6985 53.0548 40.3383 176.5196 140 Y 4.3288 8.4461 124.9300 60.1483 38.3644 177.1029 141 D 4.5133 8.1873 119.9508 57.0550 41.3468 178.2947 142 K 4.0217 8.0234 115.0316 56.5610 32.2507 176.5358 143 N 3.9239 7.3877 117.1387 53.5450 37.8642 172.1489 144 E 3.5317 6.0827 112.5336 53.7403 34.2026 175.1784 145 W 4.5322 7.8409 119.8119 56.7214 29.5286 176.6275 146 K 3.7764 8.6480 124.2598 56.9820 32.2541 177.2756 147 K 4.1490 8.5428 122.5308 56.7476 32.1431 176.8163 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 S 8.33 4.17 0.00 3.80 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 5 V 7.34 4.01 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 0.76 0.00 0.00 0.91 0.00 0.00 6 V 9.06 3.80 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 0.87 0.00 0.00 0.96 0.00 0.00 7 K 8.09 4.71 0.00 1.89 1.68 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.41 7.81 8 S 8.81 4.35 0.00 3.89 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 9 E 7.95 4.70 0.00 2.01 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 0.00 2.20 2.26 0.00 10 D 7.88 4.74 0.00 2.94 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 11 Y 8.06 4.17 0.00 3.05 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 12 A 7.10 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.17 4.84 0.00 1.51 1.52 0.86 1.33 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 14 P 0.00 4.36 0.00 2.06 2.03 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 15 S 8.19 4.78 0.00 3.96 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 16 Y 8.43 4.55 0.00 3.00 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 17 V 7.23 4.34 1.97 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 0.71 0.00 0.00 0.81 0.00 0.00 18 D 8.49 4.61 0.00 2.69 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 19 R 7.88 4.45 0.00 1.74 1.74 0.00 3.55 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 20 R 8.78 3.46 0.00 1.84 2.11 0.00 3.37 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.48 0.00 21 D 8.00 4.81 0.00 2.85 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 22 Y 8.14 4.82 0.00 2.94 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 23 P 0.00 4.53 0.00 2.30 2.41 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 24 L 6.71 4.70 0.00 1.62 1.67 0.95 1.24 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 25 P 0.00 4.66 0.00 1.91 1.67 0.00 3.92 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.06 0.00 26 D 8.72 4.58 0.00 2.73 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 27 V 7.40 4.54 2.13 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 0.75 0.00 0.00 1.10 0.00 0.00 28 A 8.35 4.08 1.15 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 0.00 0.00 29 H 8.31 3.60 0.00 2.26 3.27 0.00 5.89 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 30 V 7.57 4.10 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 0.80 0.00 0.00 0.76 0.00 0.00 31 K 8.55 4.11 0.00 1.86 1.87 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.41 7.81 32 N 7.87 4.67 0.00 2.69 2.79 0.00 0.00 6.90 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.22 4.34 0.00 1.61 1.58 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.51 4.31 0.00 4.03 4.01 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 35 A 8.44 3.97 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 36 S 7.96 4.16 0.00 4.06 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 37 Q 7.80 3.95 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.57 2.40 0.00 38 K 8.29 3.83 0.00 1.93 1.88 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.74 7.81 39 A 7.65 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.32 3.99 0.00 1.74 1.86 0.94 0.40 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 41 K 8.23 4.11 0.00 1.90 1.87 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.61 7.81 42 E 8.22 4.13 0.00 2.23 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 2.60 2.47 0.00 43 K 8.60 3.96 0.00 1.94 1.93 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.49 7.81 44 E 8.07 4.51 0.00 2.19 2.27 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 2.60 2.42 0.00 45 K 7.94 4.24 0.00 1.80 1.88 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.79 7.81 46 A 7.77 4.44 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 3.84 0.00 3.81 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 48 W 8.59 4.68 0.00 3.48 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 49 S 7.72 4.25 0.00 3.93 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 50 S 7.77 4.37 0.00 4.12 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 51 L 7.59 4.66 0.00 1.99 1.63 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.60 4.45 0.00 4.02 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 53 I 8.44 3.68 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 1.64 0.88 0.90 0.00 0.00 54 D 8.04 4.36 0.00 2.73 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 55 E 8.20 4.00 0.00 2.17 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 2.34 2.36 0.00 56 K 8.44 3.84 0.00 2.00 1.83 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.39 1.45 7.81 57 V 8.02 3.66 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 1.02 0.00 0.00 0.93 0.00 0.00 58 E 8.15 3.97 0.00 2.26 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 2.32 2.36 0.00 59 L 8.32 4.00 0.00 1.94 1.66 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.17 4.12 0.00 3.15 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 61 R 7.72 4.52 0.00 1.93 2.03 0.00 3.45 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.74 0.00 62 L 7.89 4.06 0.00 1.79 1.63 0.89 0.55 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 63 K 7.60 3.67 0.00 1.47 1.21 0.00 1.09 0.00 0.00 1.34 0.00 0.00 2.82 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 0.21 7.81 64 F 7.53 5.26 0.00 2.51 2.76 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 65 K 8.69 3.67 0.00 0.95 1.95 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.21 7.81 66 E 8.54 4.99 0.00 2.25 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 2.41 2.25 0.00 67 S 9.08 5.33 0.00 4.07 4.10 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 68 F 8.98 3.91 0.00 3.04 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 69 A 8.13 4.07 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 70 E 8.17 4.10 0.00 2.36 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 2.35 0.00 71 M 8.53 4.10 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 72 N 7.74 4.68 0.00 2.90 2.92 0.00 0.00 7.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.15 4.11 0.00 1.92 1.95 0.00 3.08 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.58 0.00 74 S 8.30 4.62 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 75 T 7.97 4.73 4.28 0.00 0.00 0.00 0.00 0.00 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 76 N 8.54 4.77 0.00 2.73 2.73 0.00 0.00 6.43 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 77 E 8.20 3.93 0.00 2.09 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 2.35 2.35 0.00 78 W 8.43 4.33 0.00 3.66 3.32 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 79 K 6.27 3.00 0.00 1.48 1.42 0.00 1.31 0.00 0.00 1.26 0.00 0.00 2.86 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.52 3.78 4.34 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 1.18 0.00 0.00 81 V 7.88 3.59 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 1.15 0.00 0.00 1.01 0.00 0.00 82 V 8.54 3.78 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 1.08 0.00 0.00 1.14 0.00 0.00 83 G 8.51 3.59 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 0.00 0.00 0.00 84 A 8.53 4.14 1.53 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 85 A 8.48 4.16 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 86 M 8.28 4.08 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.61 0.00 87 F 8.32 4.05 0.00 3.11 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.51 3.91 0.00 3.47 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 89 I 8.04 4.05 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.94 0.00 0.00 90 G 8.19 3.59 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 0.00 0.00 0.00 91 F 7.97 3.86 0.00 2.48 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 92 T 7.85 3.73 4.40 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 1.21 0.00 0.00 93 A 7.85 4.00 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 94 L 7.57 3.91 0.00 1.41 1.51 0.86 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.29 3.95 0.00 1.74 1.62 0.88 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.94 4.06 0.00 1.88 1.75 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.13 3.72 2.04 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 1.41 0.82 0.93 0.00 0.00 98 W 8.61 4.30 0.00 3.42 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 99 E 8.72 3.96 0.00 2.30 2.13 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 1.74 2.12 0.00 100 K 8.06 4.20 0.00 1.94 2.02 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.49 7.81 101 H 7.85 4.09 0.00 3.00 3.21 0.00 5.98 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 0.00 102 Y 7.69 4.10 0.00 1.43 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 0.00 0.00 0.00 103 V 7.39 3.95 1.76 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 0.54 0.00 0.00 0.78 0.00 0.00 104 Y 7.47 4.53 0.00 3.13 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 0.00 105 G 8.39 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 0.00 106 P 0.00 4.43 0.00 2.13 2.02 0.00 3.47 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 1.95 2.03 0.00 107 I 7.71 4.01 1.43 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.49 0.57 0.00 0.00 108 P 0.00 4.37 0.00 2.28 1.93 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 109 H 8.65 4.21 0.00 3.25 3.48 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.00 2.54 3.59 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 0.13 0.00 0.00 111 F 7.66 4.29 0.00 3.17 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 0.00 112 E 7.89 4.05 0.00 2.30 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 2.40 2.41 0.00 113 E 8.95 3.98 0.00 2.09 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 2.44 2.43 0.00 114 E 8.21 3.90 0.00 2.13 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 2.38 2.38 0.00 115 W 8.43 4.06 0.00 3.61 3.22 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 0.00 0.00 0.00 116 V 8.38 3.67 2.28 0.00 0.00 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 1.09 0.00 0.00 117 A 8.29 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.98 3.73 0.00 1.59 1.56 0.00 1.48 0.00 0.00 1.27 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.44 7.81 119 Q 8.00 3.83 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 120 T 8.24 3.97 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 1.45 0.00 0.00 121 K 7.72 3.51 0.00 1.68 1.84 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.33 7.81 122 R 8.05 3.81 0.00 1.80 2.00 0.00 3.08 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 123 M 8.50 4.03 0.00 2.01 2.37 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.47 0.00 124 L 8.08 4.17 0.00 1.46 1.35 -0.61 0.60 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 0.00 125 D 8.49 4.47 0.00 2.73 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 0.00 126 M 8.05 4.28 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.81 0.00 127 K 7.79 4.27 0.00 1.95 1.95 0.00 1.53 0.00 0.00 1.22 0.00 0.00 2.45 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.54 1.26 7.81 128 V 8.14 3.43 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 0.81 0.00 0.00 0.93 0.00 0.00 129 A 8.73 4.32 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 0.00 130 P 0.00 4.57 0.00 2.25 2.26 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 131 I 7.82 4.19 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.48 0.95 0.00 0.00 132 Q 7.95 4.59 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.10 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 133 G 8.31 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 0.00 0.00 0.00 134 F 8.34 4.98 0.00 3.08 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 0.00 135 S 9.13 4.28 0.00 4.24 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 0.00 136 A 8.29 4.22 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.33 4.46 0.00 2.17 1.96 0.00 1.87 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 138 W 7.97 4.60 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.45 4.44 0.00 2.33 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 0.00 0.00 0.00 140 Y 8.45 4.33 0.00 3.06 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 0.00 141 D 8.19 4.51 0.00 2.70 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 0.00 142 K 8.02 4.02 0.00 1.54 1.70 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.58 7.81 143 N 7.39 3.92 0.00 2.75 2.73 0.00 0.00 6.89 7.31 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 0.00 144 E 6.08 3.53 0.00 1.74 1.64 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 1.88 1.84 0.00 145 W 7.84 4.53 0.00 3.21 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 0.00 146 K 8.65 3.78 0.00 1.77 1.78 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.40 1.46 7.81 147 K 8.54 4.15 0.00 1.72 1.70 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.42 7.81