NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 2.9700 0.0000 0.0000 61.9072 32.6218 174.9982 2 A 4.3747 6.8395 120.7815 49.8303 22.0035 174.0134 3 D 4.8866 9.5116 121.5110 53.8322 42.3777 174.5627 4 L 4.8251 9.8519 126.6868 54.3584 42.4414 177.1245 5 S 4.5863 8.2546 114.2630 58.5247 63.5801 173.2240 6 G 3.9008 7.6705 107.4456 43.6784 0.0000 172.1841 7 T 4.8399 7.6684 116.3040 61.5547 70.5032 174.2670 8 W 5.3693 9.5936 126.5066 55.0438 33.1598 174.2445 9 T 4.9951 8.6446 117.4897 59.7722 69.7147 172.8461 10 L 3.3367 8.3413 131.4683 55.7059 41.9018 175.8175 11 L 4.5059 8.5239 129.2217 56.3756 43.5080 176.7840 12 S 4.6507 7.3919 112.8286 56.5609 66.4188 173.0216 13 S 5.0433 8.4198 116.1528 56.8662 65.9904 172.8566 14 D 4.3435 8.7437 123.1506 53.7675 44.8483 174.7511 15 N 4.1373 9.0996 125.4144 54.9939 37.4694 175.9486 16 F 4.5174 8.3787 120.2788 60.9149 39.4954 175.4182 17 E 3.8636 8.3470 118.8804 59.0688 29.5135 178.8977 18 G 3.7466 8.0020 106.6904 47.2767 0.0000 174.7447 19 Y 4.1130 7.9301 121.7766 60.9216 38.8828 178.3239 20 M 3.7235 8.0184 119.6124 58.0574 31.9260 178.7336 21 L 3.8392 8.0173 119.1331 57.8331 41.6177 179.4345 22 A 3.9604 7.6581 119.1570 55.0540 18.2861 179.2764 23 L 4.0194 7.1216 116.6666 55.5901 41.7539 177.9067 24 G 3.8537 7.7440 106.3672 45.6577 0.0000 173.3124 25 I 3.9870 7.2318 120.4908 60.0893 38.0032 176.7617 26 D 4.6179 8.4771 124.6826 52.8208 41.3906 177.0168 27 F 4.2948 8.9259 121.7608 61.8115 39.0842 176.9035 28 A 3.9006 8.1649 119.3954 55.8230 18.1296 179.6268 29 T 3.8976 7.8273 112.8872 66.8851 68.5193 177.2873 30 R 4.0284 8.2549 120.0646 58.9986 29.8192 179.0243 31 K 4.0927 8.1834 118.8071 59.5531 32.4991 178.7493 32 I 3.9447 7.7047 120.0434 64.2768 37.1496 178.1803 33 A 4.2022 8.5942 122.3798 55.0297 18.0930 179.4720 34 K 4.4698 8.3361 115.3562 58.9269 32.7998 178.1691 35 L 4.4814 7.6274 119.0197 54.0425 42.2986 176.3243 36 L 4.5218 7.1303 119.3355 53.9573 43.2621 176.8687 37 K 4.5754 8.0233 118.2033 53.7024 32.4085 174.5037 38 P 4.6619 0.0000 0.0000 63.4495 32.9809 176.7858 39 Q 4.9973 9.3081 120.7424 54.4430 31.5251 174.4752 40 K 4.9716 9.6222 124.3396 54.6997 35.1947 174.6883 41 V 4.8283 8.9038 128.0476 61.2423 34.0459 174.1206 42 I 4.8298 8.9994 129.2687 59.7321 39.8611 174.3277 43 E 4.8314 9.1787 128.0288 54.6500 31.4187 174.9298 44 Q 4.0381 8.5800 126.0547 54.1227 31.4187 174.5188 45 N 4.6879 8.7516 126.4442 52.0395 40.4298 175.3277 46 G 3.9554 7.9182 117.9324 47.0549 0.0000 172.3139 47 D 5.0358 8.8095 125.4927 53.9310 41.1413 174.7199 48 S 4.8742 8.1130 116.8694 57.2278 63.5997 172.9792 49 F 5.1091 9.3328 125.9482 55.8240 42.8507 174.3649 50 T 4.5514 8.4330 115.4567 60.5755 70.7139 172.4194 51 I 4.8700 8.8131 130.0958 59.8850 40.1109 174.1747 52 H 5.2356 9.6301 125.0471 54.5378 31.1347 174.2822 53 T 4.9306 9.3254 119.9666 62.1614 71.0412 172.4664 54 N 5.4022 9.1436 125.3873 51.6741 40.9952 174.6433 55 S 4.6913 8.1160 115.7331 57.7331 66.1422 175.0018 56 S 4.2391 8.9825 116.3481 61.7362 62.6926 176.4624 57 L 4.1232 7.9365 119.3828 58.2689 40.8088 177.3476 58 R 4.2098 7.2081 114.8146 55.4509 34.4209 172.5370 59 N 5.1254 8.4231 118.4239 51.8332 40.6918 173.8414 60 Y 5.1138 9.4954 121.2069 56.3587 42.1860 174.5187 61 F 5.3289 8.9134 123.5553 56.8076 42.8178 173.8495 62 V 4.4067 8.3373 125.1500 59.6540 34.4861 174.1845 63 K 4.6222 8.2966 125.6918 54.3300 34.5441 174.6670 64 F 4.5726 8.3478 121.1501 55.8685 41.9336 172.4516 65 K 5.0860 8.4417 119.8798 54.1511 35.0692 175.4281 66 V 3.9111 9.0986 127.6112 64.6803 31.7989 176.2744 67 G 3.8630 9.5526 115.3727 45.3339 0.0000 172.4829 68 E 4.5668 7.8699 120.3209 53.6947 30.5326 175.4116 69 E 4.5909 8.7458 126.3927 57.1733 30.3582 176.8089 70 F 5.0494 8.9242 117.6985 55.6712 41.6460 173.3073 71 D 4.9024 8.8880 122.0271 54.2605 42.0433 175.7531 72 E 4.7176 9.9040 122.8990 54.5697 32.3706 174.9771 73 D 4.9734 8.8130 125.7563 51.8493 40.4108 176.3896 74 N 4.9344 8.3310 124.5747 53.4163 39.0969 177.1629 75 R 4.8749 7.7221 113.6592 56.9641 30.0115 177.6518 76 G 4.3224 8.0638 105.5507 45.0338 0.0000 173.1766 77 L 4.6067 8.2841 118.2398 55.4380 41.7048 176.1584 78 D 4.5909 9.3538 117.3381 52.3946 40.7978 177.3335 79 N 4.2677 9.2634 118.1849 54.3431 38.3678 172.5108 80 R 4.7296 7.5437 116.7486 54.9450 31.8227 175.2546 81 K 4.5814 8.5659 127.4786 56.4033 33.0059 175.4908 82 C 4.9853 9.1399 123.6020 57.8741 33.2071 173.0204 83 K 4.5778 8.6822 123.1655 55.2471 33.1874 175.2857 84 S 4.9450 8.5263 124.4852 56.9092 65.8556 173.4724 85 L 4.7295 8.1167 123.7774 53.8470 45.6766 174.5285 86 V 4.5274 8.4030 126.0616 61.0249 34.1239 174.1912 87 I 4.8142 8.4277 119.9466 59.1260 41.9372 173.9516 88 W 4.9952 8.7254 122.3849 55.7359 29.7636 176.6427 89 D 4.6136 9.9265 128.0464 53.2954 40.5294 178.0751 90 N 4.2158 8.9447 124.2374 53.7250 38.7816 174.0299 91 D 4.8406 9.2434 112.6793 53.9673 42.7587 175.6147 92 R 5.0017 8.4347 120.8125 54.5647 32.3719 175.2740 93 L 4.1471 9.4021 127.6972 54.7118 42.9865 175.2586 94 T 4.8315 8.5166 123.9692 61.6791 71.6636 172.9176 95 C 4.5320 8.0161 126.5516 57.2274 34.1117 172.2296 96 I 4.5346 8.3801 126.9396 59.6740 39.3695 174.6102 97 Q 4.5008 8.5619 126.7718 53.8566 30.3364 174.4078 98 K 4.1096 8.6869 124.7401 55.9300 33.2716 177.3122 99 G 4.1703 8.1014 111.5137 46.0554 0.0000 171.4484 100 E 4.0076 9.2480 120.1101 59.3251 29.6532 178.8364 101 K 4.2561 7.7821 116.8731 56.2153 32.9221 176.7880 102 K 4.3563 8.6296 122.3138 56.3220 33.5299 176.2237 103 N 4.2408 8.4457 116.9530 54.5501 36.3177 173.8461 104 R 4.9573 7.8835 117.0104 53.8846 33.0061 175.8191 105 G 3.9655 7.4533 109.7942 46.5805 0.0000 170.9062 106 W 4.8773 6.3785 114.1186 56.0008 31.9924 173.8183 107 T 5.3860 9.3496 117.3021 62.6758 72.4771 172.8168 108 H 5.6739 9.8893 123.5562 53.3707 32.2344 173.1893 109 W 5.2783 7.9619 115.9351 55.9583 31.1126 172.6714 110 I 5.1205 8.7300 120.8036 59.1842 40.6508 174.5133 111 E 4.6808 8.7851 125.6226 55.7897 32.5937 175.2387 112 G 4.1316 8.7034 114.7629 46.6922 0.0000 172.7686 113 D 5.1544 8.9225 124.0500 53.5546 42.9281 173.2503 114 K 5.0890 8.0618 117.2216 54.4608 34.6358 175.0221 115 L 4.2647 8.2479 127.1634 54.1686 43.0901 175.1690 116 H 4.8877 8.4699 123.6825 54.2394 31.7507 173.8078 117 L 4.6858 8.4940 122.4031 54.0153 45.8355 174.0201 118 E 5.2859 9.4695 125.9399 54.8713 32.8284 174.8395 119 M 4.8883 8.9896 123.3485 53.3266 35.3204 174.6490 120 F 5.8431 7.8071 118.2072 55.6287 42.3241 173.9509 121 C 4.9645 10.0918 119.1861 60.7279 34.8957 174.4212 122 E 3.9597 9.6947 125.7990 56.5642 28.1297 173.7509 123 G 4.1810 8.2313 112.5116 46.2576 0.0000 172.3674 124 Q 4.4959 8.3315 119.2113 54.8703 30.3247 175.4677 125 V 4.7831 8.5104 123.2811 61.3280 34.3569 173.9116 126 C 5.3765 9.4418 129.3681 57.2713 33.0106 172.3265 127 K 4.9813 8.5961 126.2594 55.5808 33.7409 175.9188 128 Q 4.8737 9.3567 122.7375 54.4295 33.6407 174.0212 129 T 4.9928 8.3316 111.3358 59.9776 72.4550 172.7689 130 F 5.4349 9.4805 121.7999 55.7378 43.8178 173.6591 131 Q 5.3147 8.9120 118.9671 54.0756 31.3552 174.9218 132 R 3.4909 8.0527 120.9533 56.3117 30.6299 176.1391 133 A 4.1992 8.0667 127.3097 52.2146 18.0070 177.0258 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 P 0.00 2.97 0.00 1.55 0.74 0.00 3.33 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.09 0.00 2 A 6.84 4.37 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 3 D 9.51 4.89 0.00 2.71 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 4 L 9.85 4.83 0.00 1.91 1.71 1.17 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.25 4.59 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 6 G 7.67 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.67 4.84 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 1.16 0.00 0.00 8 W 9.59 5.37 0.00 3.12 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 9 T 8.64 5.00 4.31 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 1.40 0.00 0.00 10 L 8.34 3.34 0.00 1.61 1.41 0.64 0.12 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 11 L 8.52 4.51 0.00 1.59 1.68 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.39 4.65 0.00 3.99 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 13 S 8.42 5.04 0.00 3.65 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.74 4.34 0.00 2.71 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 15 N 9.10 4.14 0.00 3.03 3.08 0.00 0.00 6.80 7.71 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 16 F 8.38 4.52 0.00 3.09 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 17 E 8.35 3.86 0.00 2.06 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 2.31 2.29 0.00 18 G 8.00 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 0.00 0.00 0.00 19 Y 7.93 4.11 0.00 3.19 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 M 8.02 3.72 0.00 1.85 1.80 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.09 0.00 21 L 8.02 3.84 0.00 1.79 1.64 0.89 0.92 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 22 A 7.66 3.96 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.12 4.02 0.00 1.49 1.56 0.64 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.74 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 25 I 7.23 3.99 1.80 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 1.37 0.74 0.92 0.00 0.00 26 D 8.48 4.62 0.00 2.93 2.84 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 0.00 0.00 0.00 27 F 8.93 4.29 0.00 3.06 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 28 A 8.16 3.90 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 29 T 7.83 3.90 4.29 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 1.29 0.00 0.00 30 R 8.25 4.03 0.00 2.09 1.99 0.00 3.03 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.95 0.00 31 K 8.18 4.09 0.00 2.08 1.88 0.00 1.89 0.00 0.00 2.31 0.00 0.00 3.37 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.61 7.81 32 I 7.70 3.94 2.04 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 1.48 0.55 0.95 0.00 0.00 33 A 8.59 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 34 K 8.34 4.47 0.00 2.16 2.34 0.00 1.71 0.00 0.00 1.94 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.72 7.81 35 L 7.63 4.48 0.00 1.90 1.77 0.95 1.05 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 36 L 7.13 4.52 0.00 1.78 1.61 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.02 4.58 0.00 1.67 1.68 0.00 1.87 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.30 7.81 38 P 0.00 4.66 0.00 2.19 2.24 0.00 3.65 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 2.06 1.93 0.00 39 Q 9.31 5.00 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 40 K 9.62 4.97 0.00 1.44 1.38 0.00 0.78 0.00 0.00 0.87 0.00 0.00 2.62 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.09 1.22 7.81 41 V 8.90 4.83 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 0.96 0.00 0.00 0.94 0.00 0.00 42 I 9.00 4.83 2.20 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.83 1.11 0.00 0.00 43 E 9.18 4.83 0.00 1.84 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 2.23 2.24 0.00 44 Q 8.58 4.04 0.00 1.76 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.02 0.00 0.00 0.00 0.00 0.00 1.87 1.16 0.00 45 N 8.75 4.69 0.00 2.65 2.54 0.00 0.00 6.67 7.51 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 46 G 7.92 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 47 D 8.81 5.04 0.00 2.90 2.91 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 48 S 8.11 4.87 0.00 3.86 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 49 F 9.33 5.11 0.00 1.52 2.20 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 50 T 8.43 4.55 4.09 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 1.20 0.00 0.00 51 I 8.81 4.87 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.48 0.75 0.00 0.00 52 H 9.63 5.24 0.00 3.12 3.30 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 9.33 4.93 4.47 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 1.37 0.00 0.00 54 N 9.14 5.40 0.00 2.69 2.74 0.00 0.00 6.24 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 55 S 8.12 4.69 0.00 4.01 3.87 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 56 S 8.98 4.24 0.00 3.90 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 57 L 7.94 4.12 0.00 1.79 1.86 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.21 4.21 0.00 1.74 1.02 0.00 3.10 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.31 0.00 59 N 8.42 5.13 0.00 2.50 2.69 0.00 0.00 6.76 7.46 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 60 Y 9.50 5.11 0.00 2.86 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 61 F 8.91 5.33 0.00 2.95 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 62 V 8.34 4.41 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 0.81 0.00 0.00 1.25 0.00 0.00 63 K 8.30 4.62 0.00 1.28 1.62 0.00 2.11 0.00 0.00 1.88 0.00 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.20 1.24 7.81 64 F 8.35 4.57 0.00 2.54 1.77 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 65 K 8.44 5.09 0.00 1.90 1.72 0.00 1.93 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.55 7.81 66 V 9.10 3.91 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 0.77 0.00 0.00 0.95 0.00 0.00 67 G 9.55 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 68 E 7.87 4.57 0.00 2.00 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 2.27 2.36 0.00 69 E 8.75 4.59 0.00 1.93 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 2.32 2.34 0.00 70 F 8.92 5.05 0.00 3.10 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 71 D 8.89 4.90 0.00 2.63 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 72 E 9.90 4.72 0.00 1.57 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 2.32 0.00 73 D 8.81 4.97 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.33 4.93 0.00 3.01 2.88 0.00 0.00 6.63 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.72 4.87 0.00 1.85 2.02 0.00 3.24 0.00 0.00 3.91 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 76 G 8.06 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 0.00 0.00 0.00 0.00 77 L 8.28 4.61 0.00 1.50 1.42 0.82 1.15 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 78 D 9.35 4.59 0.00 2.82 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 79 N 9.26 4.27 0.00 2.85 2.89 0.00 0.00 6.74 7.53 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 80 R 7.54 4.73 0.00 2.19 1.71 0.00 3.11 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 81 K 8.57 4.58 0.00 1.81 1.67 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.47 7.81 82 C 9.14 4.99 0.00 2.74 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 83 K 8.68 4.58 0.00 1.75 1.59 0.00 1.53 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.33 7.81 84 S 8.53 4.95 0.00 2.72 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 85 L 8.12 4.73 0.00 1.64 1.31 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.40 4.53 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 0.43 0.00 0.00 -0.17 0.00 0.00 87 I 8.43 4.81 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 1.15 0.50 0.84 0.00 0.00 88 W 8.73 5.00 0.00 3.23 3.13 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 89 D 9.93 4.61 0.00 2.63 2.73 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 90 N 8.94 4.22 0.00 2.85 2.60 0.00 0.00 7.13 8.47 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 91 D 9.24 4.84 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 92 R 8.43 5.00 0.00 1.94 1.96 0.00 2.97 0.00 0.00 2.68 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.57 0.00 93 L 9.40 4.15 0.00 1.34 1.58 -0.41 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.52 4.83 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 1.14 0.00 0.00 95 C 8.02 4.53 0.00 1.23 1.18 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 96 I 8.38 4.53 1.72 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.39 0.84 0.00 0.00 97 Q 8.56 4.50 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.02 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 98 K 8.69 4.11 0.00 1.71 1.68 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.39 7.81 99 G 8.10 4.17 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 0.00 0.00 0.00 100 E 9.25 4.01 0.00 1.92 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 2.28 2.34 0.00 101 K 7.78 4.26 0.00 1.73 1.71 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.64 7.81 102 K 8.63 4.36 0.00 1.78 1.71 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.38 7.81 103 N 8.45 4.24 0.00 2.89 2.85 0.00 0.00 6.50 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 0.00 104 R 7.88 4.96 0.00 1.85 1.93 0.00 3.29 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.65 0.00 105 G 7.45 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 0.00 0.00 0.00 106 W 6.38 4.88 0.00 3.24 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 0.00 107 T 9.35 5.39 4.67 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 1.54 0.00 0.00 108 H 9.89 5.67 0.00 3.17 3.15 0.00 5.66 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 7.96 5.28 0.00 3.42 3.33 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 0.00 110 I 8.73 5.12 1.90 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.08 1.05 0.00 0.00 111 E 8.79 4.68 0.00 2.28 2.20 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 2.27 2.38 0.00 112 G 8.70 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 0.00 113 D 8.92 5.15 0.00 2.87 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.06 5.09 0.00 1.80 1.67 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.42 1.51 7.81 115 L 8.25 4.26 0.00 0.27 0.36 0.37 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.47 4.89 0.00 1.40 1.52 0.00 5.87 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.49 4.69 0.00 1.53 1.55 0.57 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 118 E 9.47 5.29 0.00 2.33 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 2.44 2.70 0.00 119 M 8.99 4.89 0.00 0.87 1.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 120 F 7.81 5.84 0.00 3.20 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 10.09 4.96 0.00 3.00 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 0.00 122 E 9.69 3.96 0.00 2.17 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 123 G 8.23 4.18 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 0.00 124 Q 8.33 4.50 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 125 V 8.51 4.78 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 1.00 0.00 0.00 1.04 0.00 0.00 126 C 9.44 5.38 0.00 3.30 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 0.00 127 K 8.60 4.98 0.00 1.74 1.78 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.47 7.81 128 Q 9.36 4.87 0.00 1.83 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 129 T 8.33 4.99 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 0.96 0.00 0.00 130 F 9.48 5.43 0.00 2.79 3.28 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 0.00 131 Q 8.91 5.31 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 132 R 8.05 3.49 0.00 1.82 1.64 0.00 3.18 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.62 0.00 133 A 8.07 4.20 1.19 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 0.00 0.00