NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7091 8.4249 119.2030 53.4025 39.3670 173.1755 4 I 4.7421 7.9590 126.1571 59.2580 41.3982 173.1644 5 T 5.0102 9.1766 122.9870 61.6546 72.5789 172.4589 6 I 4.8613 8.4819 125.4061 59.4470 41.0936 174.0193 7 Y 4.9121 9.3781 128.0784 57.6443 37.7959 173.6313 8 H 5.2745 9.4785 124.9975 53.4219 33.2757 173.1057 9 N 4.8512 8.4784 121.9120 50.9593 39.9970 173.0330 10 P 4.1495 0.0000 0.0000 64.9336 31.5552 177.3073 11 A 4.4259 7.8646 119.1155 51.8927 19.0556 176.6566 12 S 4.8280 8.0175 113.2041 56.8776 64.3835 175.1347 13 G 3.6195 8.6748 116.1673 48.1429 0.0000 175.5153 14 T 3.9053 7.8927 117.5738 66.5810 68.3702 176.5206 15 S 4.1631 8.4273 115.2669 61.3563 62.4098 176.4100 16 R 4.0581 8.3521 121.0107 59.3859 29.8419 178.6992 17 N 4.5390 8.5334 116.5184 56.6872 38.4620 177.5727 18 T 3.7825 8.1762 117.1676 66.5346 68.5715 176.3458 19 L 3.8933 8.1879 122.4590 58.3916 42.0494 178.9722 20 E 4.1134 8.4713 118.4047 59.5189 29.1388 179.2767 21 M 3.4788 7.7465 118.2883 57.9920 32.2015 178.3028 22 I 3.7904 7.8555 120.2256 64.6864 37.2523 178.7211 23 R 4.4076 7.9005 119.9961 58.6275 29.8320 178.1496 24 N 4.5507 8.4013 115.9285 55.0228 38.7975 175.7963 25 S 4.7308 7.7728 113.9225 58.9181 63.7311 174.6533 26 G 4.0308 8.3566 111.3427 45.5288 0.0000 173.3599 27 T 4.5065 7.6415 115.8097 61.2740 71.3678 172.5634 28 E 4.4537 8.6608 127.0329 54.4029 30.0733 174.0063 29 P 4.7348 0.0000 0.0000 62.2669 33.1953 175.9584 30 T 4.0228 8.6157 118.0149 63.7627 69.4316 173.6173 31 I 4.6486 8.3196 127.3329 59.7756 38.9863 174.9263 32 I 4.2564 8.5762 129.0361 59.6954 39.3685 175.6403 33 L 4.7715 8.7817 129.6061 52.8609 40.4044 176.7744 34 Y 4.4674 8.4026 123.4502 59.8751 37.8529 178.3239 35 L 3.8720 7.0938 119.9811 56.6356 41.7658 177.8969 36 E 4.5422 7.3839 112.6964 56.2050 32.1351 176.0169 37 N 5.0538 8.1316 116.0699 50.7450 39.0838 172.1247 38 P 4.6841 0.0000 0.0000 61.5392 32.6887 175.4328 39 P 4.7226 0.0000 0.0000 62.0423 31.9581 176.6309 40 S 4.4514 8.6506 114.7955 57.7110 65.1829 175.1889 41 R 3.8604 8.3925 121.1541 59.7228 29.7682 177.9578 42 D 4.3556 8.0638 118.1087 57.3919 40.3737 178.5213 43 E 3.9311 7.8521 118.1024 59.4368 29.5052 179.2393 44 L 3.9014 8.3562 120.7373 58.0165 42.1019 179.0639 45 V 3.5523 8.1203 118.6834 65.8417 31.3693 177.9676 46 K 3.9432 8.0609 119.3910 59.3291 32.0012 178.7670 47 L 3.9512 8.1236 119.5155 57.8828 41.3343 179.5837 48 I 3.6287 7.6322 118.1020 64.2303 37.0213 177.8629 49 A 4.1441 8.0488 121.5734 55.6115 18.0090 179.5595 50 D 4.3424 8.2681 116.0376 57.4299 40.8260 178.4601 51 M 4.5682 7.7382 120.1972 55.2058 31.7195 177.9378 52 G 3.8891 7.5601 106.2719 45.7128 0.0000 173.1360 53 I 4.4399 6.8498 112.8860 58.2475 39.9379 175.4008 54 S 4.4207 8.1966 115.4680 57.6163 64.0833 175.1209 55 V 3.7052 8.4236 120.4188 66.3444 31.2419 178.1523 56 R 3.9597 8.0697 117.6153 59.3103 29.7355 177.9860 57 A 4.1220 7.8963 119.4604 54.1613 18.5723 177.9243 58 L 4.1310 7.8162 118.5924 56.1634 42.6652 176.1880 59 L 4.6302 7.6226 119.3330 55.0780 42.1066 176.6055 60 R 4.1287 8.7750 125.6154 55.7437 30.3019 176.4660 61 K 2.8804 8.2299 125.6128 54.7862 34.5667 175.8331 62 N 4.5434 8.2771 115.0651 54.5296 37.4297 174.3073 63 V 4.5611 6.9075 108.2328 58.0702 36.3892 175.5371 64 E 4.1594 8.9620 123.1442 58.5269 29.4724 177.7408 65 P 4.1019 0.0000 0.0000 65.7408 31.2514 177.6084 66 Y 3.7768 7.9405 119.0250 60.4548 38.4517 177.8994 67 E 4.0211 8.1424 118.9695 59.7830 29.5070 179.4166 68 Q 4.0767 8.0088 116.5217 58.4880 28.9582 177.3119 69 L 4.0033 7.7999 115.7116 54.6360 42.0247 177.0727 70 G 3.8270 7.7037 107.0263 46.5577 0.0000 175.7288 71 L 3.4791 7.1317 120.1402 55.7918 41.7176 178.6334 72 A 4.2458 7.1871 120.3542 54.1019 18.6103 177.8315 73 E 4.2264 7.8983 115.2909 56.3818 30.5672 177.3034 74 D 4.7751 8.3630 123.5397 53.3439 39.7261 175.9789 75 K 4.5010 7.5497 114.9357 55.5155 34.1618 176.3161 76 F 5.0642 8.0009 116.9321 55.2618 42.2622 175.7849 77 T 4.3299 9.1964 116.5781 61.0408 70.8858 175.5605 78 D 4.4177 8.5958 120.8095 57.9163 40.8321 179.0039 79 D 4.3353 8.0684 118.6770 57.0885 40.8523 178.5488 80 Q 3.8433 7.8209 118.8146 59.0326 28.8008 179.0677 81 L 4.1659 8.0496 119.7467 57.8511 41.6967 179.5035 82 I 3.7174 8.0026 119.9836 64.7400 37.2016 178.2927 83 D 4.3578 8.1482 119.4751 57.1824 40.5703 178.8301 84 F 4.5029 8.1039 118.5115 60.8957 38.5660 177.5144 85 M 4.1708 8.3303 118.3276 58.5382 31.5361 178.8819 86 L 4.0502 7.9029 118.0828 57.5675 41.8526 178.9614 87 Q 4.3364 7.9182 116.2958 56.8968 30.3473 176.0840 88 H 4.9434 8.1328 116.8037 52.9924 29.4893 172.0938 89 P 4.5748 0.0000 0.0000 64.2440 31.8488 178.6270 90 I 3.8568 7.8125 117.2696 63.3861 38.1508 176.6874 91 L 4.1328 8.3461 120.2422 56.9974 41.6662 176.3989 92 I 4.2384 7.7471 120.5218 60.4838 37.1230 175.8093 93 N 4.7273 8.8562 127.1622 53.6172 39.7557 173.9718 94 R 4.7537 8.1209 117.2724 53.9041 32.8406 172.6348 95 P 4.9268 0.0000 0.0000 61.3742 34.0112 174.2970 96 I 4.7461 8.1481 121.9628 60.2265 39.2372 174.7116 97 V 4.9456 8.7434 126.4083 61.0128 34.7232 174.1265 98 V 5.0212 9.0302 127.8701 61.3904 34.3458 174.4061 99 T 5.1794 8.9265 117.2434 59.0895 72.2202 173.1368 100 P 4.3246 0.0000 0.0000 65.4400 31.4070 178.3128 101 L 4.0854 7.6838 116.9128 55.1855 41.9056 177.1221 102 G 4.0036 6.3416 105.1209 45.6987 0.0000 170.5366 103 T 5.2622 7.5967 114.3844 61.9556 72.5285 173.7654 104 R 4.6561 8.7823 122.8527 54.4328 35.3044 174.1582 105 L 4.4332 8.5067 124.7869 54.7146 42.2412 177.4185 106 C 4.5201 8.7649 129.4325 58.4947 26.4616 173.3835 107 R 4.6198 7.5322 116.3158 53.3555 32.6186 174.2910 108 P 4.5958 0.0000 0.0000 61.6872 32.6486 177.4116 109 S 4.3950 8.9377 115.2993 60.9232 62.5918 175.8449 110 E 4.1100 8.0735 119.0725 57.5629 29.4438 178.4843 111 V 3.6052 7.9082 120.5799 66.2577 31.4167 177.9768 112 V 3.5940 7.9431 118.6586 64.5121 30.8123 178.2283 113 L 4.0443 7.6472 118.7862 57.4404 41.3927 178.6925 114 D 4.5105 8.1499 119.0841 56.1819 40.8401 176.9600 115 I 4.3114 7.4148 109.8857 60.2767 38.6645 175.6586 116 L 4.1763 7.6739 122.3538 54.7617 42.0300 177.0662 117 Q 4.1217 8.7821 123.0194 58.0496 29.1196 176.1426 118 D 4.9053 7.6722 115.6720 51.9108 43.0359 176.0991 119 A 4.1743 8.2764 125.1937 51.7303 19.1286 177.5683 120 Q 4.2030 8.4957 119.2111 56.5919 29.1503 177.7632 121 K 4.1466 8.9219 121.3221 58.0037 32.5090 176.4880 122 G 4.3545 7.4687 103.5079 44.7535 0.0000 172.9060 123 A 4.6392 8.9222 121.8733 52.5016 19.2828 177.3150 124 F 4.6583 9.2168 121.8378 56.6488 42.7249 173.7040 125 T 4.9578 7.4672 121.8697 61.2727 71.1950 174.3129 126 K 4.3493 9.1115 126.1399 56.0297 32.9881 177.7449 127 E 3.8748 8.9943 120.6075 59.9093 29.3000 178.5861 128 D 4.5100 7.9762 114.2775 53.6702 39.7132 176.9232 129 G 3.8729 8.1395 109.0880 45.1052 0.0000 173.5336 130 E 3.9983 8.5086 122.0957 55.7375 29.7806 175.9415 131 K 4.4337 8.6014 126.7144 56.4406 33.0946 176.2379 132 V 4.2214 9.2067 123.5237 64.0361 32.9475 175.8303 133 V 4.8884 7.4649 112.0138 59.4102 35.2890 175.3714 134 D 5.1217 8.5061 123.2235 51.9602 41.4824 177.0507 135 E 3.9309 8.6640 117.1120 59.5092 29.4384 179.1456 136 A 4.0646 7.9538 119.8174 53.4450 18.6480 178.0943 137 G 3.9631 8.2912 104.1315 44.7333 0.0000 173.6300 138 K 4.1479 8.3899 122.1987 55.5935 32.8043 176.3871 139 R 4.5632 8.4841 125.5940 56.2719 30.7369 176.6002 140 L 4.2686 8.6862 122.1232 54.9655 41.7150 176.4714 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 3 N 8.42 4.71 0.00 2.69 2.84 0.00 0.00 6.78 7.06 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 4 I 7.96 4.74 1.85 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 1.33 0.65 0.94 0.00 0.00 5 T 9.18 5.01 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 0.85 0.00 0.00 6 I 8.48 4.86 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.68 0.92 0.00 0.00 7 Y 9.38 4.91 0.00 2.91 2.92 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 8 H 9.48 5.27 0.00 3.25 3.20 0.00 5.76 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 9 N 8.48 4.85 0.00 2.96 2.73 0.00 0.00 7.10 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 10 P 0.00 4.15 0.00 2.04 2.11 0.00 3.60 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 1.99 2.07 0.00 11 A 7.86 4.43 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 12 S 8.02 4.83 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 13 G 8.67 3.62 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 0.00 0.00 0.00 14 T 7.89 3.91 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 15 S 8.43 4.16 0.00 3.96 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 0.00 16 R 8.35 4.06 0.00 2.09 2.03 0.00 3.23 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.94 0.00 17 N 8.53 4.54 0.00 3.01 3.00 0.00 0.00 7.07 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.18 3.78 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 1.19 0.00 0.00 19 L 8.19 3.89 0.00 1.70 1.86 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.47 4.11 0.00 2.36 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 0.00 2.68 2.62 0.00 21 M 7.75 3.48 0.00 1.65 1.86 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.46 0.00 22 I 7.86 3.79 1.97 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 0.89 0.92 0.00 0.00 23 R 7.90 4.41 0.00 2.04 1.99 0.00 3.34 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 24 N 8.40 4.55 0.00 3.04 3.05 0.00 0.00 6.86 7.18 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 25 S 7.77 4.73 0.00 4.27 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 26 G 8.36 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 0.00 0.00 0.00 27 T 7.64 4.51 4.22 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 1.19 0.00 0.00 28 E 8.66 4.45 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 29 P 0.00 4.73 0.00 2.07 2.00 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 30 T 8.62 4.02 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 1.14 0.00 0.00 31 I 8.32 4.65 1.85 0.00 0.00 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 1.28 0.69 0.92 0.00 0.00 32 I 8.58 4.26 1.40 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.55 0.99 0.00 0.00 33 L 8.78 4.77 0.00 1.66 1.55 0.91 1.00 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 34 Y 8.40 4.47 0.00 3.41 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.09 3.87 0.00 1.35 1.60 0.74 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.38 4.54 0.00 2.14 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 2.32 2.30 0.00 37 N 8.13 5.05 0.00 2.71 2.80 0.00 0.00 7.01 8.22 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 38 P 0.00 4.68 0.00 2.24 2.25 0.00 3.89 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 2.00 0.00 39 P 0.00 4.72 0.00 2.15 2.03 0.00 3.42 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.61 0.00 40 S 8.65 4.45 0.00 4.08 4.07 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 41 R 8.39 3.86 0.00 1.89 1.96 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 42 D 8.06 4.36 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 43 E 7.85 3.93 0.00 2.25 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 2.37 2.35 0.00 44 L 8.36 3.90 0.00 1.70 1.75 0.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.12 3.55 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 0.93 0.00 0.00 0.98 0.00 0.00 46 K 8.06 3.94 0.00 1.88 1.95 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.48 7.81 47 L 8.12 3.95 0.00 1.76 1.60 0.46 1.16 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 48 I 7.63 3.63 1.97 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 1.41 0.51 0.93 0.00 0.00 49 A 8.05 4.14 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 50 D 8.27 4.34 0.00 2.80 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 51 M 7.74 4.57 0.00 2.04 2.24 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 2.77 2.39 0.00 52 G 7.56 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 53 I 6.85 4.44 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.73 0.94 0.00 0.00 54 S 8.20 4.42 0.00 4.01 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 55 V 8.42 3.71 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 1.04 0.00 0.00 0.94 0.00 0.00 56 R 8.07 3.96 0.00 1.97 1.95 0.00 3.29 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 57 A 7.90 4.12 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 58 L 7.82 4.13 0.00 1.72 1.81 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.62 4.63 0.00 1.81 1.78 1.00 0.72 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 60 R 8.77 4.13 0.00 1.77 1.80 0.00 3.42 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 61 K 8.23 2.88 0.00 1.42 1.18 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.60 1.07 7.81 62 N 8.28 4.54 0.00 2.74 2.80 0.00 0.00 7.13 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 63 V 6.91 4.56 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.02 0.00 0.00 64 E 8.96 4.16 0.00 2.03 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 2.45 2.23 0.00 65 P 0.00 4.10 0.00 2.12 2.07 0.00 3.68 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 2.07 2.02 0.00 66 Y 7.94 3.78 0.00 2.95 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 67 E 8.14 4.02 0.00 2.26 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 2.40 2.46 0.00 68 Q 8.01 4.08 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 69 L 7.80 4.00 0.00 1.22 0.98 0.17 0.60 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 70 G 7.70 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 0.00 0.00 0.00 71 L 7.13 3.48 0.00 0.35 1.05 0.53 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.19 4.25 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 73 E 7.90 4.23 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 74 D 8.36 4.78 0.00 2.67 2.61 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 75 K 7.55 4.50 0.00 0.79 1.31 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.17 1.23 7.81 76 F 8.00 5.06 0.00 3.03 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 77 T 9.20 4.33 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 78 D 8.60 4.42 0.00 2.76 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 79 D 8.07 4.34 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.82 3.84 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 81 L 8.05 4.17 0.00 1.92 1.77 1.00 0.62 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 82 I 8.00 3.72 1.97 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 1.51 1.05 0.89 0.00 0.00 83 D 8.15 4.36 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.10 4.50 0.00 3.18 2.94 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 0.00 0.00 0.00 85 M 8.33 4.17 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.62 0.00 86 L 7.90 4.05 0.00 1.76 1.74 0.91 0.76 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 87 Q 7.92 4.34 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.18 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 88 H 8.13 4.94 0.00 3.25 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.57 0.00 2.27 2.33 0.00 3.92 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 90 I 7.81 3.86 1.91 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 1.46 0.79 0.96 0.00 0.00 91 L 8.35 4.13 0.00 1.90 1.76 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.75 4.24 1.80 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 1.07 0.57 0.61 0.00 0.00 93 N 8.86 4.73 0.00 2.88 2.66 0.00 0.00 7.02 8.22 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 94 R 8.12 4.75 0.00 1.82 1.70 0.00 3.33 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 95 P 0.00 4.93 0.00 2.19 2.29 0.00 4.03 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.87 0.00 96 I 8.15 4.75 1.80 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.41 0.88 0.00 0.00 97 V 8.74 4.95 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 0.94 0.00 0.00 0.95 0.00 0.00 98 V 9.03 5.02 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 1.07 0.00 0.00 1.07 0.00 0.00 99 T 8.93 5.18 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 1.24 0.00 0.00 100 P 0.00 4.32 0.00 2.06 2.16 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 101 L 7.68 4.09 0.00 1.81 1.72 0.91 0.83 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 G 6.34 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 0.00 0.00 0.00 103 T 7.60 5.26 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 1.27 0.00 0.00 104 R 8.78 4.66 0.00 1.68 1.74 0.00 3.27 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 105 L 8.51 4.43 0.00 1.59 1.57 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 106 C 8.76 4.52 0.00 2.90 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 0.00 107 R 7.53 4.62 0.00 1.73 1.82 0.00 3.41 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 108 P 0.00 4.60 0.00 2.45 2.19 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 109 S 8.94 4.39 0.00 4.06 4.33 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 E 8.07 4.11 0.00 2.17 2.24 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 2.36 2.31 0.00 111 V 7.91 3.61 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 1.10 0.00 0.00 0.95 0.00 0.00 112 V 7.94 3.59 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 0.70 0.00 0.00 0.89 0.00 0.00 113 L 7.65 4.04 0.00 1.71 1.75 0.89 0.73 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 0.00 114 D 8.15 4.51 0.00 2.70 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 0.00 115 I 7.41 4.31 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 1.33 0.68 0.90 0.00 0.00 116 L 7.67 4.18 0.00 1.62 1.62 0.84 0.91 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 0.00 117 Q 8.78 4.12 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 118 D 7.67 4.91 0.00 2.77 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 0.00 119 A 8.28 4.17 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 0.00 120 Q 8.50 4.20 0.00 2.07 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 121 K 8.92 4.15 0.00 1.83 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.46 7.81 122 G 7.47 4.35 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 0.00 123 A 8.92 4.64 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 9.22 4.66 0.00 3.06 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 0.00 125 T 7.47 4.96 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 1.17 0.00 0.00 126 K 9.11 4.35 0.00 1.93 1.80 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.68 1.67 7.81 127 E 8.99 3.87 0.00 1.97 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 2.51 0.00 128 D 7.98 4.51 0.00 2.78 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 0.00 129 G 8.14 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 0.00 0.00 0.00 130 E 8.51 4.00 0.00 2.09 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 2.33 2.30 0.00 131 K 8.60 4.43 0.00 1.80 1.75 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 132 V 9.21 4.22 2.46 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 1.13 0.00 0.00 1.13 0.00 0.00 133 V 7.46 4.89 2.12 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 0.78 0.00 0.00 1.02 0.00 0.00 134 D 8.51 5.12 0.00 2.88 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 0.00 135 E 8.66 3.93 0.00 2.03 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 2.41 2.26 0.00 136 A 7.95 4.06 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 0.00 137 G 8.29 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 0.00 138 K 8.39 4.15 0.00 1.81 1.92 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.41 7.81 139 R 8.48 4.56 0.00 1.85 1.86 0.00 3.68 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 140 L 8.69 4.27 0.00 1.63 1.58 0.94 0.97 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