NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5250 8.1727 120.1021 56.2656 34.5149 173.6621 3 K 4.9263 9.9174 125.3624 54.3741 34.6016 173.1561 4 I 4.7639 8.9508 128.9631 59.3991 40.3279 173.9027 5 L 4.7033 8.6198 129.9337 54.3457 43.3589 175.3211 6 I 4.5680 8.7711 128.8423 59.9331 38.9239 175.1887 7 V 4.4387 8.7294 129.2705 61.6644 32.5653 174.1186 8 D 4.9065 8.3449 127.0435 53.3849 44.5465 175.8837 9 D 4.8994 8.9483 124.1070 54.3621 40.3255 176.5024 10 E 4.4250 8.8514 121.5815 54.8082 30.1954 176.2615 11 K 4.0631 8.7621 126.1409 59.4180 32.2079 176.5166 12 P 4.3498 0.0000 0.0000 65.6223 31.2330 178.7321 13 I 3.7940 7.7421 118.1012 64.3679 37.1370 177.9009 14 S 4.1234 8.4876 114.4536 61.7748 62.1009 176.0380 15 D 4.4590 8.7722 121.5134 57.4832 40.5867 178.7736 16 I 3.7881 7.8284 120.2023 64.6329 37.1186 178.6274 17 I 3.8660 7.9378 120.4894 64.1570 36.8655 178.2482 18 K 3.8916 8.4080 120.8344 59.5527 32.0195 178.1577 19 F 4.0996 8.6682 121.1358 61.7294 39.3141 176.9147 20 N 4.3001 8.4422 115.7396 56.6639 38.3880 177.4720 21 M 4.3265 8.6048 120.5466 58.4854 31.9821 178.8637 22 T 4.0005 8.2040 116.3473 66.7238 68.4734 176.5023 23 K 3.7719 7.5107 119.8277 59.2439 32.2060 177.7892 24 E 4.0390 7.6773 117.3079 57.0758 29.7071 177.2523 25 G 3.8141 8.3784 106.8456 45.4889 0.0000 173.1650 26 Y 4.6100 7.2137 117.1225 57.2097 39.2053 174.9909 27 E 4.2094 9.0188 124.4041 56.1369 30.9563 175.3752 28 V 4.8726 8.4517 126.6318 61.2846 33.6296 174.9445 29 V 4.7381 8.8990 120.9992 59.6956 35.0674 174.6905 30 T 5.0296 8.4445 112.2342 59.9085 71.8170 172.9251 31 A 4.5693 8.4043 123.8961 50.3659 22.7969 176.6202 32 F 4.7666 10.0671 117.7536 56.3746 40.1523 174.7518 33 N 5.1353 7.5959 118.3894 50.8176 41.1184 175.2635 34 G 3.8047 8.6204 108.4564 47.0856 0.0000 176.1131 35 R 3.8583 7.9991 120.4922 59.5459 30.2994 178.0786 36 E 3.9442 8.8919 118.5583 59.4018 29.3481 179.2278 37 A 3.9527 8.2824 120.8365 55.3050 18.5098 179.7153 38 L 4.0662 7.9016 117.2683 57.9998 41.7130 179.5433 39 E 4.0018 8.4322 118.6581 59.7203 29.4613 179.5977 40 Q 3.9942 8.7716 118.2638 58.6808 28.7394 178.2935 41 F 4.2278 8.5101 122.0449 61.6177 39.1718 177.1659 42 E 3.3809 7.9731 116.2306 59.1090 29.3102 178.9594 43 A 4.0662 7.8603 119.7394 54.9043 18.6344 178.9195 44 E 4.1283 8.5947 115.6147 55.9609 31.3528 176.5718 45 Q 3.2701 7.8523 116.7549 56.0186 26.4969 171.6341 46 P 4.4895 0.0000 0.0000 62.9177 32.4831 177.0549 47 D 4.6199 8.7720 119.6463 56.8244 41.6077 176.6875 48 I 4.6011 7.4543 116.8684 59.7987 41.7460 173.0302 49 I 4.9341 8.6050 129.1085 59.5883 40.0811 174.3966 50 I 4.6457 8.7632 127.9834 59.5728 39.3329 174.4965 51 L 4.7569 8.7368 129.1665 52.8397 44.6808 175.2773 52 D 5.3758 8.8474 126.7187 54.4355 42.3042 176.1403 53 L 4.3787 8.4294 120.9093 56.7527 44.1788 176.8720 54 M 4.5155 8.0701 121.1827 54.6702 30.6814 175.3475 55 L 4.8877 7.8467 122.2675 51.6397 45.7054 175.3145 56 P 4.3509 0.0000 0.0000 64.0084 31.9256 176.2596 57 E 4.0696 9.2791 123.2870 56.4880 27.7768 175.0302 58 I 4.5923 7.0388 117.1607 58.6183 41.2393 174.9197 59 D 4.8863 8.6471 125.2391 52.7978 41.6544 177.4334 60 G 3.7256 8.6208 109.1584 47.3126 0.0000 176.1113 61 L 3.9748 7.9430 120.4897 57.7456 41.7831 179.1693 62 E 3.9576 9.0866 118.8201 59.2900 29.3550 179.5088 63 V 3.4708 7.9753 118.0716 65.9602 31.5204 177.8133 64 A 3.8270 8.3310 120.6362 55.0362 18.0160 179.2573 65 K 3.7470 8.2373 116.9331 60.0978 32.5021 178.7602 66 T 3.9952 8.3230 116.0071 66.7675 68.4351 176.6681 67 I 3.4289 7.9521 122.0768 64.5135 36.8478 178.6690 68 R 4.2530 7.8540 118.7705 58.0685 29.8525 178.7366 69 K 4.1068 7.7803 118.3730 58.7185 32.0746 177.5696 70 T 4.5988 7.9669 106.3995 61.1911 70.3856 173.9697 71 S 4.7340 7.7406 115.9062 56.7600 65.5301 173.4934 72 S 4.6754 8.5131 119.7966 57.8443 63.3038 174.3770 73 V 3.7642 7.4539 120.9753 62.0147 31.6755 174.1591 74 P 4.5563 0.0000 0.0000 63.3933 32.6407 175.0096 75 I 4.7173 9.0508 124.4548 59.3630 40.5824 174.1735 76 L 4.8957 8.8373 130.3085 53.4337 43.5422 175.3129 77 M 4.4963 8.5800 127.3740 55.0708 33.5557 175.8336 78 L 4.8682 8.4305 124.2746 53.6614 45.3129 174.8601 79 S 4.8730 8.7435 120.2346 56.6461 65.7177 174.9907 80 A 4.0794 8.8323 128.0383 54.7505 18.4629 177.9451 81 K 4.1423 8.1314 115.7981 57.1722 31.7305 176.2156 82 D 4.9785 8.6253 122.4096 52.5277 40.2150 176.8016 83 S 4.4288 7.9943 115.9559 57.9953 65.1665 174.4564 84 E 3.8134 8.6916 122.8972 59.5737 29.2012 178.8022 85 F 4.0372 8.1922 119.9175 61.3310 39.4250 176.5462 86 D 4.2943 8.4113 118.6461 57.3178 40.5845 179.0170 87 K 2.6768 7.4791 118.6819 59.0036 31.9152 179.5973 88 V 3.4060 7.5464 118.4552 65.9728 31.4519 177.8916 89 I 3.5044 7.5278 118.7190 63.7087 37.8402 177.7588 90 G 3.8089 8.1076 106.7946 48.1761 0.0000 175.5847 91 L 4.3081 8.0596 123.6701 56.8335 41.4295 179.6316 92 E 4.0079 8.2333 117.8429 59.1443 29.4687 178.9552 93 L 4.1842 8.1590 118.1729 55.5271 41.7608 176.8783 94 G 3.5636 7.6207 106.1646 44.7334 0.0000 174.3171 95 A 4.0610 7.9798 124.5642 52.5810 18.8476 178.1889 96 D 4.6615 8.8877 121.8841 56.2800 41.8895 175.9368 97 D 4.6985 7.7586 116.1921 53.6673 45.0922 173.6000 98 Y 4.9593 8.3712 122.9565 56.5124 41.5549 173.8540 99 V 4.7063 9.0590 127.4630 61.2930 34.6839 174.3814 100 T 5.2335 8.5866 116.6006 60.3120 71.0048 173.8795 101 K 4.8322 8.9971 123.5368 54.7803 33.3085 175.2821 102 P 4.5610 0.0000 0.0000 62.3965 32.2586 175.3039 103 F 5.0412 7.7735 113.8833 54.5853 41.0547 174.6376 104 S 4.5272 8.5196 115.4778 57.2984 63.7801 174.4274 105 N 4.5550 8.7861 126.7831 56.6391 38.4326 177.3756 106 R 3.9221 8.0067 119.5080 59.3933 30.1894 178.0137 107 E 3.9454 8.7498 119.6180 59.0179 29.6232 178.2952 108 L 3.9001 8.3758 120.7999 58.4146 42.1102 178.6794 109 Q 4.0523 8.4038 117.8820 59.3465 28.7583 179.4064 110 A 4.0331 8.2222 121.3655 55.2983 18.3276 179.9480 111 R 4.0291 8.3697 116.8914 59.0017 30.0087 179.4480 112 V 3.4650 7.9373 118.2970 65.7854 31.5118 177.8293 113 K 3.9176 8.2482 119.1963 59.6078 31.7988 178.3721 114 A 3.9771 8.3107 119.8330 55.1474 18.3316 179.0723 115 L 4.0286 8.2574 119.1072 58.2745 41.9642 179.0547 116 L 4.0486 7.9553 118.1040 57.8851 41.6328 178.9282 117 R 4.0155 7.9820 117.6653 59.3511 29.9726 176.3931 118 R 4.1578 7.5241 119.6401 56.3455 30.1935 176.0435 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 2 K 8.17 4.53 0.00 2.05 1.93 0.00 1.66 0.00 0.00 1.94 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.53 7.81 3 K 9.92 4.93 0.00 1.83 1.65 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.50 7.81 4 I 8.95 4.76 1.76 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.30 0.80 0.00 0.00 5 L 8.62 4.70 0.00 1.78 1.52 0.92 0.87 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 6 I 8.77 4.57 1.77 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 1.03 0.43 0.82 0.00 0.00 7 V 8.73 4.44 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 0.92 0.00 0.00 0.83 0.00 0.00 8 D 8.34 4.91 0.00 2.69 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.95 4.90 0.00 2.91 2.95 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 10 E 8.85 4.42 0.00 2.07 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 2.32 2.35 0.00 11 K 8.76 4.06 0.00 1.73 1.82 0.00 1.37 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.67 7.81 12 P 0.00 4.35 0.00 2.22 2.10 0.00 3.63 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 2.13 2.19 0.00 13 I 7.74 3.79 2.08 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 1.61 0.64 1.11 0.00 0.00 14 S 8.49 4.12 0.00 3.98 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 0.00 15 D 8.77 4.46 0.00 3.01 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.83 3.79 2.13 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 1.49 0.74 0.99 0.00 0.00 17 I 7.94 3.87 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.02 0.89 0.00 0.00 18 K 8.41 3.89 0.00 1.94 2.17 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.52 7.81 19 F 8.67 4.10 0.00 3.28 3.39 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 20 N 8.44 4.30 0.00 2.99 3.10 0.00 0.00 7.14 7.72 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 21 M 8.60 4.33 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.91 0.00 22 T 8.20 4.00 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 1.16 0.00 0.00 23 K 7.51 3.77 0.00 1.41 1.60 0.00 1.23 0.00 0.00 1.33 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.27 7.81 24 E 7.68 4.04 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.08 0.00 25 G 8.38 3.81 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 0.00 0.00 0.00 26 Y 7.21 4.61 0.00 3.02 2.93 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 27 E 9.02 4.21 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 28 V 8.45 4.87 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 0.88 0.00 0.00 0.98 0.00 0.00 29 V 8.90 4.74 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 0.69 0.00 0.00 0.92 0.00 0.00 30 T 8.44 5.03 3.72 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 1.19 0.00 0.00 31 A 8.40 4.57 1.13 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 32 F 10.07 4.77 0.00 3.19 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 33 N 7.60 5.14 0.00 3.13 2.95 0.00 0.00 6.09 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 34 G 8.62 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 0.00 0.00 0.00 35 R 8.00 3.86 0.00 1.91 2.11 0.00 3.22 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 36 E 8.89 3.94 0.00 2.21 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 2.39 2.57 0.00 37 A 8.28 3.95 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 38 L 7.90 4.07 0.00 1.90 1.82 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.43 4.00 0.00 2.21 2.02 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 2.35 2.49 0.00 40 Q 8.77 3.99 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 41 F 8.51 4.23 0.00 3.03 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 42 E 7.97 3.38 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 43 A 7.86 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 44 E 8.59 4.13 0.00 2.04 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 2.28 2.57 0.00 45 Q 7.85 3.27 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 46 P 0.00 4.49 0.00 2.36 2.07 0.00 3.99 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 2.14 2.08 0.00 47 D 8.77 4.62 0.00 2.66 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.45 4.60 1.78 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 1.21 1.22 0.76 0.00 0.00 49 I 8.61 4.93 1.76 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.45 0.86 0.00 0.00 50 I 8.76 4.65 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.62 0.70 0.00 0.00 51 L 8.74 4.76 0.00 1.55 1.35 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.85 5.38 0.00 2.98 2.50 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 53 L 8.43 4.38 0.00 1.62 1.67 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 54 M 8.07 4.52 0.00 2.03 2.07 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 2.59 0.00 55 L 7.85 4.89 0.00 1.75 1.53 0.94 1.10 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 56 P 0.00 4.35 0.00 2.21 1.99 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 57 E 9.28 4.07 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 58 I 7.04 4.59 1.77 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 1.44 0.91 0.00 0.00 59 D 8.65 4.89 0.00 3.10 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 60 G 8.62 3.73 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 0.00 0.00 0.00 61 L 7.94 3.97 0.00 1.85 1.73 0.97 1.00 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 62 E 9.09 3.96 0.00 2.09 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 2.34 2.47 0.00 63 V 7.98 3.47 2.16 0.00 0.00 0.00 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 1.00 0.00 0.00 64 A 8.33 3.83 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 65 K 8.24 3.75 0.00 1.92 1.93 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 66 T 8.32 4.00 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 1.22 0.00 0.00 67 I 7.95 3.43 1.62 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.59 0.27 0.00 0.00 68 R 7.85 4.25 0.00 1.93 1.96 0.00 3.26 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 69 K 7.78 4.11 0.00 1.76 1.89 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.71 1.60 7.81 70 T 7.97 4.60 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 1.26 0.00 0.00 71 S 7.74 4.73 0.00 4.15 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.51 4.68 0.00 4.00 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 73 V 7.45 3.76 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 1.07 0.00 0.00 74 P 0.00 4.56 0.00 2.04 1.99 0.00 3.72 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 2.09 2.12 0.00 75 I 9.05 4.72 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.73 0.80 0.00 0.00 76 L 8.84 4.90 0.00 1.56 1.41 0.83 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 77 M 8.58 4.50 0.00 1.31 1.43 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.30 0.00 78 L 8.43 4.87 0.00 1.39 1.21 0.55 -0.02 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 79 S 8.74 4.87 0.00 3.73 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.83 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 81 K 8.13 4.14 0.00 1.97 2.15 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.45 7.81 82 D 8.63 4.98 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 83 S 7.99 4.43 0.00 4.07 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 84 E 8.69 3.81 0.00 2.05 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 2.37 2.35 0.00 85 F 8.19 4.04 0.00 3.18 3.06 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 0.00 86 D 8.41 4.29 0.00 2.83 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 87 K 7.48 2.68 0.00 1.48 1.46 0.00 1.48 0.00 0.00 1.38 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.30 0.85 7.81 88 V 7.55 3.41 1.93 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 0.97 0.00 0.00 0.90 0.00 0.00 89 I 7.53 3.50 0.99 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.75 0.66 0.00 0.00 90 G 8.11 3.81 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 0.00 0.00 0.00 91 L 8.06 4.31 0.00 1.63 1.70 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.23 4.01 0.00 1.90 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 2.30 2.44 0.00 93 L 8.16 4.18 0.00 1.77 1.69 0.89 0.97 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 94 G 7.62 3.56 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 0.00 0.00 0.00 95 A 7.98 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.89 4.66 0.00 2.60 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 97 D 7.76 4.70 0.00 2.67 2.42 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 98 Y 8.37 4.96 0.00 2.97 2.66 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 0.00 0.00 0.00 0.00 99 V 9.06 4.71 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 0.95 0.00 0.00 0.91 0.00 0.00 100 T 8.59 5.23 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 1.39 0.00 0.00 101 K 9.00 4.83 0.00 1.71 1.91 0.00 1.79 0.00 0.00 1.93 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.65 1.50 7.81 102 P 0.00 4.56 0.00 2.12 2.01 0.00 3.74 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 1.99 1.95 0.00 103 F 7.77 5.04 0.00 3.12 3.23 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 0.00 104 S 8.52 4.53 0.00 3.94 3.84 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 0.00 105 N 8.79 4.55 0.00 2.85 2.99 0.00 0.00 6.78 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 0.00 106 R 8.01 3.92 0.00 1.92 1.96 0.00 3.21 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 107 E 8.75 3.95 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 2.35 2.35 0.00 108 L 8.38 3.90 0.00 2.15 1.78 0.67 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.40 4.05 0.00 2.45 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 110 A 8.22 4.03 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 0.00 111 R 8.37 4.03 0.00 1.84 1.96 0.00 3.14 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 112 V 7.94 3.47 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.84 0.00 0.00 113 K 8.25 3.92 0.00 2.02 2.03 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.52 7.81 114 A 8.31 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 0.00 115 L 8.26 4.03 0.00 1.89 1.78 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.96 4.05 0.00 1.88 1.77 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.98 4.02 0.00 2.00 2.26 0.00 3.26 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 118 R 7.52 4.16 0.00 1.88 1.82 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00