NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4114 8.2893 120.3486 55.3646 33.0945 174.7566 2 N 4.6566 8.5813 124.0224 51.4993 38.9159 173.0001 3 I 4.5976 8.7819 120.9931 59.6065 41.9582 176.2673 4 I 4.3597 8.3380 124.0297 59.6173 38.4360 175.1644 5 K 4.4410 8.6014 124.8849 54.3983 34.0202 176.2649 6 A 4.5456 8.3938 126.5287 50.8630 20.7898 175.0851 7 N 5.0573 8.1805 116.7908 51.9348 41.4515 175.6761 8 V 3.8863 8.1896 114.5192 62.7160 32.2812 176.7374 9 A 4.2802 8.1492 123.6760 52.0399 18.6296 178.0584 10 A 4.6314 8.3165 123.6267 51.2600 21.5133 173.9909 11 P 4.6771 0.0000 0.0000 64.8959 32.2021 178.9026 12 D 4.6228 8.0835 115.2760 54.3915 40.4693 175.7551 13 A 4.6394 7.6546 124.5456 51.7737 20.3223 178.2380 14 R 4.8217 9.4991 120.5114 55.1211 32.7945 175.8851 15 V 4.9284 8.8504 124.3863 60.0110 34.7670 173.9748 16 A 4.9254 8.5078 128.4501 50.0821 21.5449 175.2073 17 I 4.8050 8.6633 123.7057 59.5786 39.4390 174.6938 18 T 4.8100 8.5865 117.7394 59.9756 70.8548 173.3717 19 I 5.2104 8.3221 126.5613 58.2098 40.5363 174.5323 20 A 5.0670 8.4304 127.9469 51.3415 19.0856 177.9589 21 R 4.4459 9.3376 119.6277 58.4985 30.2498 177.0124 22 F 4.6036 8.2014 121.2553 59.9380 39.6759 174.3330 23 N 4.6543 9.8696 123.8478 54.5343 35.5863 176.1256 24 Q 4.1623 8.3412 120.4440 59.4387 28.0780 177.9003 25 F 3.8595 8.5014 121.5144 61.0791 39.3946 176.3241 26 I 4.2437 8.2881 118.6530 63.5693 37.7652 177.7729 27 N 4.3975 8.2593 116.5384 56.1467 38.2701 177.0210 28 D 4.4443 8.7875 121.1054 57.5929 41.0102 178.7178 29 S 4.0675 7.9634 113.0331 61.0584 62.4120 175.4590 30 L 4.0728 7.8187 123.2467 58.5989 41.6547 178.3668 31 L 3.8656 8.3644 120.4001 57.7062 42.0006 178.6061 32 D 4.5036 8.4879 118.6257 57.3455 40.9362 179.7264 33 G 3.6020 8.1873 105.7472 47.7972 0.0000 175.2613 34 A 3.9233 7.9008 123.4005 54.7280 18.4624 179.2578 35 V 3.4584 7.9247 116.6560 66.3798 31.5342 177.2872 36 D 4.2988 8.2082 117.0314 57.8381 40.9388 177.8477 37 A 3.8849 8.3513 120.7589 55.8423 18.3408 179.0481 38 L 3.8525 8.5115 116.2822 59.2223 41.9299 179.9082 39 T 4.2060 8.2188 110.8038 64.1226 68.6408 176.3074 40 R 3.8604 8.1316 123.2142 58.2447 30.3398 178.3736 41 I 4.2197 7.8440 118.1868 63.5341 38.0989 177.7801 42 G 3.8210 7.8408 103.6670 44.2172 0.0000 173.8689 43 Q 3.7171 7.9794 120.7792 56.5578 28.2212 172.8037 44 V 3.8085 7.5229 116.7215 61.9192 32.2400 175.1748 45 K 4.2183 8.5653 128.7924 56.1877 32.5605 176.6978 46 D 4.6547 8.8141 124.1105 54.1215 39.0942 176.1684 47 D 4.7922 7.9742 117.2784 53.7399 40.1818 176.3367 48 N 4.7094 8.5440 117.7733 53.6812 39.3270 174.1005 49 I 4.9734 7.5876 120.2585 60.2467 38.4682 175.1868 50 T 4.7107 8.8207 117.2962 59.7082 71.8673 172.9747 51 V 4.6269 8.4308 123.8865 61.0350 34.1144 174.5390 52 V 4.3040 9.0408 128.9151 60.7963 33.7298 174.5415 53 W 4.9075 8.9889 129.1497 56.5570 29.5023 176.5473 54 V 4.3501 8.6041 119.1051 59.1601 33.5934 174.9058 55 P 4.3259 0.0000 0.0000 65.1147 31.3660 176.9150 56 G 4.4970 7.9663 108.4413 42.7054 0.0000 174.0738 57 A 4.0602 8.4843 120.6595 54.8690 18.0655 179.3075 58 Y 4.1806 8.1418 117.1229 60.6781 39.2481 177.4038 59 E 4.1129 8.2357 119.1398 57.9343 29.6067 178.5959 60 L 3.8863 7.4791 119.4512 58.2817 41.6733 176.9400 61 P 4.1669 0.0000 0.0000 64.7881 31.0735 178.0248 62 L 3.7967 7.6735 117.9737 58.4643 42.4984 179.4414 63 A 3.9801 7.8517 120.3044 55.5712 18.3148 179.8246 64 T 3.8214 8.2166 108.6027 64.5660 68.7175 176.1196 65 E 3.8415 8.8585 122.4297 59.1759 29.6547 178.3048 66 A 4.0102 8.0344 120.5473 55.6246 18.1971 179.6156 67 L 4.1008 7.6038 114.8932 57.8706 41.9409 179.5088 68 A 4.2155 8.3303 120.8876 55.2031 18.2288 179.8205 69 K 3.9172 8.2155 116.1351 59.6513 32.1353 179.0584 70 S 4.2026 8.1150 112.8523 59.3723 61.8073 175.8795 71 G 3.9552 8.5556 110.5133 46.3748 0.0000 176.1277 72 K 3.9076 7.7062 120.3381 56.3384 31.8465 182.1552 73 Y 5.1224 6.9673 114.0404 56.8730 40.6180 175.4515 74 D 4.7404 9.2327 121.9537 56.0283 41.8854 176.4578 75 A 4.5697 7.4325 117.2680 51.1508 22.5807 175.0788 76 V 4.7420 8.2908 120.0141 61.0321 34.5892 174.4909 77 V 4.3657 8.7900 128.3048 61.4913 33.3693 174.1729 78 A 4.9044 8.6036 130.3295 49.7424 20.7376 175.2438 79 L 5.4381 7.9416 123.0916 52.6692 44.5002 176.3840 80 G 4.1728 7.6883 108.3550 46.2673 0.0000 171.8813 81 T 5.1200 8.1769 116.2383 61.5084 71.9895 174.5270 82 V 4.2172 9.0693 124.8792 61.3612 34.1684 173.8567 83 I 4.7335 8.1959 128.7733 59.5485 38.6283 176.0059 84 R 3.6584 8.4953 128.0089 56.6596 30.2890 176.3636 85 G 4.3798 8.3574 116.1977 44.2260 0.0000 172.9723 86 G 3.6358 8.7618 107.5700 47.4820 0.0000 173.3350 87 T 4.5179 7.5975 108.4525 59.7380 71.4878 173.5299 88 A 4.4815 8.3660 121.2451 52.7471 18.8367 178.6783 89 H 4.3026 8.3390 120.1515 60.3093 29.6266 176.9138 90 F 4.0357 8.5048 121.9728 61.6256 38.9748 176.7195 91 E 3.6303 8.1099 118.5061 59.3864 29.3616 178.3105 92 Y 4.3269 7.4229 116.0075 60.7159 38.2792 177.4909 93 V 3.6810 7.6783 119.2461 65.8564 31.5984 177.7672 94 A 4.0750 7.7605 120.6156 55.2414 18.0844 179.6750 95 G 3.6110 8.0763 104.5717 47.8050 0.0000 176.0686 96 G 3.8462 8.6615 108.3089 45.8353 0.0000 174.8545 97 A 4.2445 7.8497 122.6952 54.3762 19.6242 179.1473 98 S 4.1633 8.2124 111.7445 61.8938 62.3705 176.2787 99 N 4.4496 8.4939 119.3772 55.9396 38.2890 177.4344 100 G 3.7144 7.7249 106.4196 48.0275 0.0000 175.5142 101 L 3.9918 8.0444 121.6885 57.2457 41.8724 179.5764 102 A 3.9812 8.0493 120.5755 55.0957 18.2736 179.5370 103 S 3.9634 8.3703 111.8605 61.5308 62.4563 176.1681 104 V 3.5444 7.8325 120.7028 66.2502 31.1103 177.7270 105 A 4.2764 7.8638 121.3203 54.8135 18.0175 179.4271 106 Q 3.8944 7.6599 116.2497 59.1430 29.1224 177.8295 107 D 4.5347 7.9551 119.4109 56.9410 41.3089 178.4681 108 S 4.3628 8.3035 112.7555 58.6110 63.4960 175.5624 109 G 3.8873 8.0996 109.5363 45.7523 0.0000 173.7194 110 V 3.9905 7.5143 121.0458 61.5578 33.0470 173.6231 111 P 4.4750 0.0000 0.0000 62.6488 32.5381 175.1805 112 V 4.9015 8.3803 123.2732 61.0325 34.1131 174.2111 113 A 4.4675 8.8170 130.1598 50.8939 20.4935 176.2523 114 F 4.7282 9.0109 126.6891 56.2225 38.2847 175.8327 115 G 3.9605 8.0863 117.7325 44.8230 0.0000 170.8697 116 V 4.5378 6.1327 117.4356 60.6268 33.9535 176.0538 117 L 4.2692 8.8486 129.6546 55.0940 42.7725 176.6371 118 T 5.4457 8.7635 112.8113 58.7013 68.9035 172.5714 119 T 4.6219 8.1747 120.9072 61.0146 72.1159 174.9238 120 E 4.1439 9.8088 120.5147 57.2009 30.5604 177.1870 121 S 4.7110 7.5925 112.0530 55.5909 67.6325 174.8041 122 I 3.6792 8.2303 123.1603 64.2606 36.6018 177.9437 123 E 3.9204 8.2135 119.0526 59.7769 29.7418 178.6722 124 Q 4.2849 8.1313 117.3763 58.8653 28.8215 178.5904 125 A 4.0283 7.7863 121.9074 55.3991 18.3240 179.7178 126 I 3.7556 7.9063 118.1816 64.6618 37.1193 178.5473 127 E 4.5544 8.0942 120.3112 58.0831 29.2926 178.4171 128 R 4.5323 7.9012 115.6707 55.6354 30.5028 176.7093 129 A 4.8301 7.2796 122.1368 52.6751 19.5478 176.9140 130 G 4.4497 7.8081 107.9478 48.1260 0.0000 175.4418 131 T 4.6189 7.5378 115.6224 60.0225 68.8070 175.7352 132 K 3.7823 9.2521 117.0377 59.3286 31.7531 177.6232 133 A 4.5622 7.8056 119.2862 52.0459 20.0104 178.9644 134 G 3.7464 8.1317 110.2930 47.3834 0.0000 173.9405 135 N 5.2447 8.2352 117.5673 50.8825 40.9070 175.4706 136 K 3.9619 8.9183 128.8793 59.2540 32.1002 178.9369 137 G 4.0783 8.2970 107.5892 47.3644 0.0000 175.5642 138 A 4.0456 7.8797 123.2770 54.3013 18.4790 179.2515 139 E 3.8632 8.5412 118.0913 59.3967 29.7397 178.9129 140 A 4.0774 8.6071 122.4410 54.4207 18.4892 179.4193 141 A 3.9028 8.1688 119.4701 55.2841 18.3738 179.9415 142 L 3.9357 8.0114 117.6634 58.2021 41.3236 179.9024 143 T 3.8579 8.0871 109.3549 64.5527 68.5051 176.1534 144 A 3.9882 7.9084 123.9209 55.0084 18.5195 179.1054 145 L 3.8738 7.8202 116.6247 58.1725 41.8242 179.3072 146 E 4.1862 8.3651 120.3751 59.1058 29.4345 178.9146 147 M 4.0666 8.0374 118.2974 58.3576 31.9392 178.5104 148 I 3.6927 7.6841 119.9234 64.7862 37.2777 178.2227 149 N 4.3243 8.0054 116.4228 56.2170 38.1607 177.5208 150 V 3.5744 7.9454 119.0529 66.1506 31.7911 177.9160 151 L 4.0814 8.4211 118.8696 57.7464 41.4019 179.1680 152 K 3.8727 8.0376 118.4259 59.5158 32.1023 176.8691 153 A 4.4772 8.0757 120.2049 51.8108 19.4835 177.2385 154 I 3.8702 7.7819 120.8957 63.1994 37.7614 173.9283 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 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.66 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.78 4.60 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 0.67 0.91 0.00 0.00 4 I 8.34 4.36 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 0.60 0.91 0.00 0.00 5 K 8.60 4.44 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.55 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 7 N 8.18 5.06 0.00 2.73 2.64 0.00 0.00 6.87 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 8 V 8.19 3.89 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.15 4.28 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 10 A 8.32 4.63 1.21 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 0.00 0.00 11 P 0.00 4.68 0.00 2.23 2.38 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.08 4.62 0.00 2.69 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 13 A 7.65 4.64 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 14 R 9.50 4.82 0.00 1.41 1.78 0.00 3.22 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.85 4.93 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 0.92 0.00 0.00 0.95 0.00 0.00 16 A 8.51 4.93 0.25 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 0.00 0.00 17 I 8.66 4.80 1.69 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 1.17 0.88 0.70 0.00 0.00 18 T 8.59 4.81 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 1.09 0.00 0.00 19 I 8.32 5.21 0.77 0.00 0.00 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 0.80 -0.16 0.30 0.00 0.00 20 A 8.43 5.07 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 21 R 9.34 4.45 0.00 2.10 2.53 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 22 F 8.20 4.60 0.00 3.17 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.87 4.65 0.00 2.97 2.99 0.00 0.00 6.88 7.74 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 24 Q 8.34 4.16 0.00 2.54 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 25 F 8.50 3.86 0.00 3.13 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 26 I 8.29 4.24 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.77 0.95 0.00 0.00 27 N 8.26 4.40 0.00 2.87 2.90 0.00 0.00 7.09 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.79 4.44 0.00 2.67 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 29 S 7.96 4.07 0.00 3.81 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 30 L 7.82 4.07 0.00 1.92 1.63 0.96 0.57 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 31 L 8.36 3.87 0.00 1.79 1.78 0.77 1.46 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 32 D 8.49 4.50 0.00 2.87 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 33 G 8.19 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 34 A 7.90 3.92 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 35 V 7.92 3.46 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 0.98 0.00 0.00 0.96 0.00 0.00 36 D 8.21 4.30 0.00 2.83 2.90 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 37 A 8.35 3.88 1.38 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 0.00 0.00 38 L 8.51 3.85 0.00 1.86 1.73 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.22 4.21 4.24 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 1.28 0.00 0.00 40 R 8.13 3.86 0.00 1.84 2.23 0.00 3.24 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 41 I 7.84 4.22 2.07 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 1.45 0.96 0.91 0.00 0.00 42 G 7.84 3.82 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 0.00 43 Q 7.98 3.72 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.52 3.81 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 0.88 0.00 0.00 1.02 0.00 0.00 45 K 8.57 4.22 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.81 4.65 0.00 2.83 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 47 D 7.97 4.79 0.00 2.78 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 48 N 8.54 4.71 0.00 2.87 2.99 0.00 0.00 6.92 7.45 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 49 I 7.59 4.97 1.88 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 1.40 0.53 0.89 0.00 0.00 50 T 8.82 4.71 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 1.52 0.00 0.00 51 V 8.43 4.63 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 0.52 0.00 0.00 0.84 0.00 0.00 52 V 9.04 4.30 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 0.94 0.00 0.00 0.87 0.00 0.00 53 W 8.99 4.91 0.00 3.21 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 54 V 8.60 4.35 2.14 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 0.78 0.00 0.00 0.96 0.00 0.00 55 P 0.00 4.33 0.00 2.19 2.31 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 56 G 7.97 4.50 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 0.00 57 A 8.48 4.06 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 58 Y 8.14 4.18 0.00 2.93 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 59 E 8.24 4.11 0.00 1.99 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 2.64 2.58 0.00 60 L 7.48 3.89 0.00 1.76 1.70 0.87 0.94 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 61 P 0.00 4.17 0.00 2.02 1.93 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 62 L 7.67 3.80 0.00 1.63 1.66 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.85 3.98 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 64 T 8.22 3.82 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 1.27 0.00 0.00 65 E 8.86 3.84 0.00 1.99 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 2.31 2.34 0.00 66 A 8.03 4.01 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 67 L 7.60 4.10 0.00 1.77 1.64 0.63 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.33 4.22 1.38 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 0.00 0.00 69 K 8.22 3.92 0.00 1.73 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.61 7.81 70 S 8.11 4.20 0.00 3.93 4.23 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 71 G 8.56 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 72 K 7.71 3.91 0.00 1.83 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.97 5.12 0.00 3.12 2.96 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 74 D 9.23 4.74 0.00 2.55 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 75 A 7.43 4.57 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 76 V 8.29 4.74 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 0.93 0.00 0.00 0.84 0.00 0.00 77 V 8.79 4.37 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 0.87 0.00 0.00 0.88 0.00 0.00 78 A 8.60 4.90 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 79 L 7.94 5.44 0.00 1.38 1.40 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.69 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 81 T 8.18 5.12 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 1.20 0.00 0.00 82 V 9.07 4.22 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 0.89 0.00 0.00 0.87 0.00 0.00 83 I 8.20 4.73 1.85 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 1.24 0.70 0.88 0.00 0.00 84 R 8.50 3.66 0.00 0.67 1.39 0.00 3.06 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 1.37 1.17 0.00 85 G 8.36 4.38 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 0.00 0.00 0.00 86 G 8.76 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.60 4.52 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 1.24 0.00 0.00 88 A 8.37 4.48 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 89 H 8.34 4.30 0.00 3.28 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.50 4.04 0.00 3.10 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 91 E 8.11 3.63 0.00 1.95 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 2.00 2.18 0.00 92 Y 7.42 4.33 0.00 2.99 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.68 3.68 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 1.05 0.00 0.00 0.76 0.00 0.00 94 A 7.76 4.08 0.93 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 0.00 0.00 95 G 8.08 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 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 97 A 7.85 4.24 1.45 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 0.00 0.00 98 S 8.21 4.16 0.00 3.73 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 99 N 8.49 4.45 0.00 2.80 2.83 0.00 0.00 6.96 8.18 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 0.00 100 G 7.72 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.04 3.99 0.00 2.04 1.82 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.05 3.98 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 0.00 103 S 8.37 3.96 0.00 3.95 4.03 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 0.00 104 V 7.83 3.54 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 1.06 0.00 0.00 0.98 0.00 0.00 105 A 7.86 4.28 1.45 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 0.00 0.00 106 Q 7.66 3.89 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 7.96 4.53 0.00 2.70 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 0.00 108 S 8.30 4.36 0.00 4.02 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 0.00 109 G 8.10 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.51 3.99 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 0.96 0.00 0.00 0.96 0.00 0.00 111 P 0.00 4.48 0.00 2.12 1.96 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.38 4.90 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 0.85 0.00 0.00 0.98 0.00 0.00 113 A 8.82 4.47 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 0.00 114 F 9.01 4.73 0.00 3.01 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 0.00 115 G 8.09 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 0.00 116 V 6.13 4.54 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 0.65 0.00 0.00 -0.02 0.00 0.00 117 L 8.85 4.27 0.00 1.60 1.58 0.92 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.76 5.45 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 0.00 119 T 8.17 4.62 4.41 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 1.26 0.00 0.00 120 E 9.81 4.14 0.00 1.95 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 2.30 0.00 121 S 7.59 4.71 0.00 3.95 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 0.00 122 I 8.23 3.68 1.84 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 1.48 0.70 0.87 0.00 0.00 123 E 8.21 3.92 0.00 1.93 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 2.30 2.49 0.00 124 Q 8.13 4.28 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.79 4.03 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 0.00 126 I 7.91 3.76 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.03 0.99 0.00 0.00 127 E 8.09 4.55 0.00 2.29 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 2.39 0.00 128 R 7.90 4.53 0.00 1.88 1.94 0.00 3.11 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.28 4.83 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 0.00 130 G 7.81 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 0.00 0.00 0.00 0.00 131 T 7.54 4.62 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 1.27 0.00 0.00 132 K 9.25 3.78 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.48 7.81 133 A 7.81 4.56 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 0.00 134 G 8.13 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 0.00 135 N 8.24 5.24 0.00 2.69 2.65 0.00 0.00 6.93 7.42 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 0.00 136 K 8.92 3.96 0.00 1.83 1.83 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.48 7.81 137 G 8.30 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 0.00 0.00 0.00 138 A 7.88 4.05 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 0.00 139 E 8.54 3.86 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 140 A 8.61 4.08 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 0.00 141 A 8.17 3.90 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 0.00 142 L 8.01 3.94 0.00 2.01 1.72 0.91 0.41 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 0.00 143 T 8.09 3.86 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 1.25 0.00 0.00 144 A 7.91 3.99 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 0.00 145 L 7.82 3.87 0.00 1.88 1.90 0.94 0.76 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 0.00 146 E 8.37 4.19 0.00 2.01 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 0.00 2.32 2.24 0.00 147 M 8.04 4.07 0.00 2.09 2.36 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 148 I 7.68 3.69 2.05 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 1.68 0.78 0.92 0.00 0.00 149 N 8.01 4.32 0.00 2.97 2.86 0.00 0.00 6.72 7.77 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 0.00 150 V 7.95 3.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.96 0.00 0.00 151 L 8.42 4.08 0.00 1.92 1.69 0.96 0.67 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 0.00 152 K 8.04 3.87 0.00 1.84 2.09 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.08 4.48 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 0.00 154 I 7.78 3.87 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 1.16 0.72 0.91 0.00 0.00