NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2584 8.1593 115.2413 62.0487 69.2832 174.2514 3 T 4.1165 7.6501 109.7330 60.2840 70.0262 172.2947 4 I 4.4686 8.6791 124.4598 59.2787 39.7966 176.7562 5 N 4.4370 8.9336 124.3499 52.2549 38.8215 173.5531 6 P 4.2814 0.0000 0.0000 63.1447 32.0639 175.4391 7 T 4.3893 8.0693 110.6999 59.7760 70.7341 175.2534 8 N 4.5851 8.2225 124.9812 52.4400 36.7269 174.5475 9 Y 4.0934 7.9036 122.9026 60.5940 38.0564 177.9421 10 T 3.9068 7.8289 115.7341 66.4836 68.9334 175.9015 11 L 4.0507 7.8280 121.5125 58.1086 42.2351 178.1098 12 L 3.9031 8.0694 120.6279 58.6297 41.9245 179.3678 13 K 4.0392 8.3686 117.8637 59.0635 31.8086 179.7058 14 K 3.9759 8.4102 119.5368 59.5876 32.0165 179.3791 15 Q 3.9721 8.0833 117.6028 58.8751 28.6462 178.3353 16 A 4.1983 8.3958 121.9029 55.1876 18.2553 179.3187 17 A 3.9484 7.8313 118.0553 55.4535 18.9259 179.5604 18 S 4.1597 8.3141 111.6253 61.2998 62.2600 175.9101 19 L 4.0176 8.5686 123.4513 57.4638 41.5050 178.3448 20 I 4.3603 7.5471 111.4829 59.7646 38.5984 174.8529 21 E 3.9443 7.3536 120.6774 58.1044 29.9264 176.3707 22 D 4.4818 8.7439 122.8178 54.8178 38.7670 173.2500 23 E 4.7672 7.5063 117.2325 55.0725 31.6296 175.6327 24 H 4.6954 8.4458 115.6816 54.6501 31.2531 173.7392 25 H 4.2621 8.1323 119.7359 55.5887 30.0307 174.4975 26 M 3.8298 8.5508 128.5238 59.1833 31.9129 177.9762 27 I 3.6558 7.6985 118.6829 64.2277 37.2306 178.1860 28 A 3.9242 8.1232 121.0461 55.1693 18.2487 179.5569 29 I 3.5688 7.8366 118.3229 64.5906 37.2065 178.6764 30 L 3.3295 8.2366 120.0029 57.5688 41.1675 179.9007 31 S 4.0427 8.1506 115.0879 61.8640 62.9012 176.5800 32 N 4.3494 8.3260 119.1851 56.4736 38.1436 177.5274 33 M 4.1628 8.3618 120.8495 58.3415 32.0859 178.9119 34 S 4.1831 8.4431 114.2850 61.1126 63.0808 176.5857 35 A 3.8866 7.7890 124.6739 54.8342 17.9580 179.1822 36 L 3.8669 7.7165 117.4508 58.3545 42.4721 178.7421 37 L 4.1422 8.0529 118.8578 58.0301 41.3945 179.0704 38 N 4.2975 7.9287 115.3712 56.7888 38.9601 176.0535 39 D 4.6191 8.1701 118.1142 55.5200 41.0766 176.6666 40 N 4.9205 7.7473 115.5305 52.4190 39.4510 173.9608 41 L 4.5911 7.7126 117.9045 52.9113 44.2645 175.8248 42 D 4.4739 8.5715 123.2568 54.3355 42.7060 175.0134 43 Q 3.4982 8.7028 121.9939 56.3887 26.7023 172.6735 44 I 4.8124 7.2202 109.8021 59.7556 40.9161 174.6367 45 N 5.1495 8.8555 117.5687 52.4860 38.8630 174.1032 46 W 5.4035 8.0698 129.4046 56.3618 34.7496 173.5285 47 V 4.7181 7.5841 125.6374 60.9494 34.4979 174.1520 48 G 3.5137 7.6602 110.5460 46.0181 0.0000 171.6981 49 F 5.6648 8.6177 117.1094 55.9778 43.6911 173.9373 50 Y 5.0525 8.9904 117.7892 56.3283 41.8210 174.5135 51 L 5.1703 9.1594 123.1307 52.9667 44.4372 175.5622 52 L 4.8103 8.5801 126.4420 54.6239 42.5510 176.1348 53 E 4.5244 9.4360 126.4826 56.0576 33.7415 175.7748 54 Q 3.3786 9.6331 123.1489 57.3494 26.0783 172.8044 55 N 4.2147 8.0168 106.8778 54.1833 38.0795 172.7015 56 E 4.8290 7.4133 109.5848 55.3485 33.6884 174.3965 57 L 4.9993 8.4087 121.4965 54.1029 43.3803 175.8772 58 I 5.0462 9.0196 124.9299 58.8799 40.3844 174.7419 59 L 3.2469 8.7730 128.7980 55.9706 42.4290 176.4051 60 G 4.4422 8.2616 112.4904 43.6921 0.0000 170.1244 61 P 4.5425 0.0000 0.0000 63.5793 32.3519 175.7552 62 F 4.8043 7.5832 116.4280 56.4014 40.9364 172.7636 63 Q 4.1876 9.7734 118.1650 53.3052 31.5358 176.8922 64 G 4.1294 8.3626 111.0285 44.8493 0.0000 171.9126 65 H 4.7776 8.5654 118.1332 54.1679 29.7559 173.3656 66 P 4.5391 0.0000 0.0000 63.1759 31.5382 175.8487 67 A 4.6645 8.0831 123.3734 49.6183 22.1553 175.9953 68 S 4.2511 8.2544 115.3777 59.1392 63.6835 175.2420 69 V 3.8974 8.6303 124.4426 65.9012 32.3384 175.1429 70 H 5.5303 8.2335 115.4958 54.2414 31.1925 174.6640 71 I 4.5440 8.6888 122.7927 58.9341 40.9056 173.0882 72 P 4.6934 0.0000 0.0000 62.2390 32.5736 176.2912 73 I 3.8198 8.2961 122.1704 62.9893 37.4936 177.0094 74 G 3.9190 8.7091 110.5548 45.4852 0.0000 173.1387 75 K 4.3837 7.7942 121.6384 55.2808 34.1159 177.2705 76 G 4.1005 8.5040 114.5305 45.4124 0.0000 173.5526 77 V 3.5686 8.2309 116.3924 66.0387 31.0237 178.9873 78 C 4.1421 7.8415 116.1436 62.8093 28.0856 176.1433 79 G 3.6200 7.9657 107.2871 48.1142 0.0000 175.8806 80 T 4.3836 8.0077 118.6540 65.8712 68.4769 176.6868 81 A 4.1492 7.8587 123.2840 54.7259 18.3286 180.1325 82 V 3.5617 7.4879 117.2889 64.9508 31.9812 178.8214 83 S 4.1445 8.2344 115.0199 60.1732 62.7913 175.3585 84 E 4.4038 8.3095 118.1038 55.3099 30.5599 175.6903 85 R 3.9068 7.8568 115.7827 55.9878 28.8713 175.9095 86 R 4.7580 7.7988 110.6443 55.5665 32.9428 175.4068 87 T 4.1830 8.5099 116.4328 64.4684 69.4533 173.4374 88 Q 4.5491 9.2671 124.0873 54.1315 31.7663 174.5681 89 V 4.6308 8.4499 124.2442 60.9576 33.9665 174.6287 90 V 4.2366 8.4061 128.0372 61.0055 32.9990 175.9914 91 A 4.0300 8.7776 130.8022 54.6057 19.3797 175.7555 92 D 4.8431 7.9282 114.4678 51.7512 41.9098 175.0434 93 V 3.5769 8.9761 126.1038 65.9324 31.7805 177.9411 94 H 4.1051 7.7442 115.3539 58.8747 28.5822 176.7979 95 Q 4.2093 8.1419 115.8841 57.8642 28.5429 176.2047 96 F 4.4701 7.7559 121.3884 58.4734 41.1589 176.8125 97 K 3.2753 7.5754 126.4797 57.8006 31.1733 175.2038 98 G 4.0667 8.4004 114.7585 45.8795 0.0000 172.9930 99 H 4.8919 8.4841 117.5105 54.5036 28.8321 174.4711 100 I 4.2090 7.0664 118.1527 60.5378 39.4111 177.9653 101 A 4.2804 8.7012 125.0128 54.0041 18.0265 177.8268 102 C 4.4532 8.2375 112.3614 58.9398 30.3232 174.3784 103 D 5.0001 7.9484 119.2656 53.8223 40.1972 177.9043 104 A 4.4707 7.2577 124.8386 53.1216 17.8327 179.9880 105 N 4.7475 9.0702 118.5882 56.1478 38.3650 174.0156 106 S 5.0289 7.5175 113.4220 57.2205 64.0203 173.4216 107 K 4.5165 9.2790 125.4982 56.9927 34.8821 176.2750 108 S 5.1108 7.6415 112.1802 56.9493 67.2924 172.2658 109 E 5.3931 8.7129 118.7934 55.6513 33.6738 173.6466 110 I 4.9377 8.4311 123.6220 59.2071 41.6496 173.8593 111 V 4.8306 8.8644 129.2201 60.9936 34.7023 174.1914 112 V 4.7653 9.1207 128.1384 60.0939 34.1001 172.8690 113 P 4.6277 0.0000 0.0000 63.0575 32.2244 175.6300 114 I 4.5486 8.7915 124.0924 59.9272 38.8959 174.6676 115 F 5.3723 9.7990 126.4836 55.7003 41.4450 175.7803 116 K 4.3504 9.4482 122.9456 55.8652 34.8510 176.1864 117 D 4.3417 9.8999 128.2214 55.6713 38.1082 174.2137 118 D 4.7582 8.1933 114.7761 54.1851 39.4033 174.6986 119 K 4.7665 8.0721 120.1483 54.2542 35.2051 174.7807 120 I 4.2139 8.3276 125.0494 60.7335 37.7106 175.9849 121 I 4.2562 9.1176 118.6316 59.9338 38.9893 175.8695 122 G 4.2152 6.9474 107.1268 46.6596 0.0000 171.2912 123 V 4.9691 7.7105 111.0990 60.0680 36.6824 173.5857 124 L 4.7048 9.2095 126.2091 53.8696 44.1535 174.7296 125 D 5.2769 8.8248 124.6843 52.6159 44.7854 174.2178 126 I 5.2157 8.5358 125.6767 59.9562 41.2095 174.1734 127 D 5.5112 9.5141 126.9807 53.0576 43.4585 175.4427 128 A 5.0916 8.6045 122.1063 49.6055 22.3996 175.2474 129 P 5.2902 0.0000 0.0000 63.0263 31.8932 175.8456 130 I 4.6665 7.1860 111.6853 59.0530 40.6361 174.8762 131 T 4.2481 8.2226 110.9913 62.0923 68.8858 173.5299 132 D 4.3966 9.0146 120.6793 55.1904 40.2917 175.8860 133 R 3.6835 7.5890 119.7145 57.6810 30.0307 176.3138 134 F 5.1058 7.2425 113.7055 55.6445 40.5090 174.8516 135 D 4.8831 8.8769 125.7706 51.4787 41.5804 176.9296 136 D 4.4116 8.7284 118.5627 57.8530 40.5910 179.1268 137 N 4.1921 9.0226 117.6011 56.6232 38.9145 176.6214 138 D 4.3458 8.2865 121.6520 56.6163 40.9296 178.4814 139 K 3.7740 8.0626 119.3867 59.6974 32.1183 178.0871 140 E 4.1171 7.8217 119.7444 59.3187 29.3765 179.4116 141 H 4.1526 7.6471 115.4910 58.6576 28.5813 177.9629 142 L 4.0355 7.9747 121.3037 57.7771 41.0522 179.3656 143 E 4.0071 8.9924 118.9244 59.1248 29.3405 179.1734 144 A 4.0333 8.1200 121.1534 55.2274 18.5045 179.7367 145 I 3.7298 8.0050 118.5926 64.4661 37.0827 178.8442 146 V 3.6677 7.9433 119.1883 65.8161 31.3369 177.8728 147 K 4.1443 8.3082 121.0293 59.1476 31.7435 178.7241 148 I 3.7266 7.8601 119.9430 64.4073 37.0605 178.6004 149 I 3.8036 7.6911 120.4773 64.4933 36.7034 178.3566 150 E 4.0659 9.0007 119.8397 59.2425 28.9611 179.6587 151 K 4.1026 8.0511 118.2174 59.5566 32.1798 179.1024 152 Q 4.1115 7.5510 116.0240 58.3070 28.7262 177.8253 153 L 4.3141 7.6220 117.8415 55.7087 42.0873 177.1332 154 A 4.3154 7.7487 125.3689 52.4936 18.4877 176.8699 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 T 8.16 4.26 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 1.20 0.00 0.00 3 T 7.65 4.12 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 1.20 0.00 0.00 4 I 8.68 4.47 1.84 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 1.35 0.63 0.86 0.00 0.00 5 N 8.93 4.44 0.00 2.85 2.74 0.00 0.00 7.06 7.30 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 6 P 0.00 4.28 0.00 2.01 2.02 0.00 3.60 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 2.03 2.10 0.00 7 T 8.07 4.39 3.77 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 1.08 0.00 0.00 8 N 8.22 4.59 0.00 2.76 2.69 0.00 0.00 7.21 7.56 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 9 Y 7.90 4.09 0.00 2.80 2.63 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 10 T 7.83 3.91 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 11 L 7.83 4.05 0.00 1.89 1.83 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.07 3.90 0.00 1.78 1.89 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.37 4.04 0.00 2.01 1.88 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.81 7.81 14 K 8.41 3.98 0.00 2.01 1.85 0.00 1.57 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.53 7.81 15 Q 8.08 3.97 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 16 A 8.40 4.20 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.83 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.31 4.16 0.00 3.97 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.57 4.02 0.00 1.71 1.88 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.55 4.36 1.83 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 1.63 0.72 0.89 0.00 0.00 21 E 7.35 3.94 0.00 2.23 1.87 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 2.31 2.27 0.00 22 D 8.74 4.48 0.00 2.84 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 23 E 7.51 4.77 0.00 1.91 1.80 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 2.41 2.35 0.00 24 H 8.45 4.70 0.00 3.06 3.27 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.13 4.26 0.00 3.19 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.55 3.83 0.00 2.02 2.00 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 2.58 2.55 0.00 27 I 7.70 3.66 2.02 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 1.55 0.71 0.90 0.00 0.00 28 A 8.12 3.92 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 29 I 7.84 3.57 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 0.82 0.00 0.00 30 L 8.24 3.33 0.00 1.54 1.40 0.40 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.15 4.04 0.00 3.98 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 32 N 8.33 4.35 0.00 2.81 2.85 0.00 0.00 7.14 8.09 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 33 M 8.36 4.16 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.76 0.00 34 S 8.44 4.18 0.00 4.15 4.36 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 35 A 7.79 3.89 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 36 L 7.72 3.87 0.00 1.75 1.90 0.92 0.91 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 37 L 8.05 4.14 0.00 1.87 1.71 0.99 0.48 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 38 N 7.93 4.30 0.00 2.83 2.96 0.00 0.00 7.35 8.02 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 39 D 8.17 4.62 0.00 2.67 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 40 N 7.75 4.92 0.00 2.75 2.70 0.00 0.00 6.73 8.01 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 41 L 7.71 4.59 0.00 1.66 1.62 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.57 4.47 0.00 2.59 2.52 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 43 Q 8.70 3.50 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 44 I 7.22 4.81 2.19 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.72 1.09 0.00 0.00 45 N 8.86 5.15 0.00 2.79 3.00 0.00 0.00 6.64 9.28 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 46 W 8.07 5.40 0.00 3.39 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 47 V 7.58 4.72 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.79 0.00 0.00 48 G 7.66 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.62 5.66 0.00 2.97 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 50 Y 8.99 5.05 0.00 3.01 2.86 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 51 L 9.16 5.17 0.00 1.59 1.59 0.99 0.63 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 52 L 8.58 4.81 0.00 1.65 1.60 0.93 1.15 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 53 E 9.44 4.52 0.00 1.98 1.79 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 2.23 2.28 0.00 54 Q 9.63 3.38 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 55 N 8.02 4.21 0.00 2.83 2.89 0.00 0.00 7.15 7.65 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 56 E 7.41 4.83 0.00 2.10 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 2.35 2.25 0.00 57 L 8.41 5.00 0.00 1.72 1.70 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.02 5.05 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.96 0.90 0.00 0.00 59 L 8.77 3.25 0.00 1.52 1.59 0.49 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.26 4.44 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 0.00 0.00 0.00 61 P 0.00 4.54 0.00 2.14 1.96 0.00 3.69 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 2.08 2.09 0.00 62 F 7.58 4.80 0.00 1.79 2.52 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 63 Q 9.77 4.19 0.00 1.75 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.13 2.42 0.00 64 G 8.36 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 65 H 8.57 4.78 0.00 3.29 3.40 0.00 5.92 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.54 0.00 2.13 2.12 0.00 3.78 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 2.14 2.27 0.00 67 A 8.08 4.66 0.72 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 0.00 0.00 68 S 8.25 4.25 0.00 3.85 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 69 V 8.63 3.90 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 0.89 0.00 0.00 0.97 0.00 0.00 70 H 8.23 5.53 0.00 3.04 3.45 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.69 4.54 1.63 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.74 0.00 0.00 72 P 0.00 4.69 0.00 2.10 2.17 0.00 3.67 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 2.05 1.98 0.00 73 I 8.30 3.82 1.87 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 0.81 0.91 0.00 0.00 74 G 8.71 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 0.00 0.00 0.00 75 K 7.79 4.38 0.00 1.78 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.32 7.81 76 G 8.50 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.23 3.57 1.91 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 0.80 0.00 0.00 0.49 0.00 0.00 78 C 7.84 4.14 0.00 2.72 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 79 G 7.97 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 80 T 8.01 4.38 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 1.33 0.00 0.00 81 A 7.86 4.15 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 82 V 7.49 3.56 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 0.89 0.00 0.00 0.91 0.00 0.00 83 S 8.23 4.14 0.00 4.04 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 0.00 84 E 8.31 4.40 0.00 2.20 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 2.29 2.25 0.00 85 R 7.86 3.91 0.00 2.37 2.18 0.00 3.22 0.00 0.00 3.37 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 86 R 7.80 4.76 0.00 1.95 1.94 0.00 3.10 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 87 T 8.51 4.18 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 1.25 0.00 0.00 88 Q 9.27 4.55 0.00 1.78 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 89 V 8.45 4.63 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 0.85 0.00 0.00 0.91 0.00 0.00 90 V 8.41 4.24 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 0.77 0.00 0.00 0.34 0.00 0.00 91 A 8.78 4.03 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 92 D 7.93 4.84 0.00 2.68 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 93 V 8.98 3.58 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 0.83 0.00 0.00 0.88 0.00 0.00 94 H 7.74 4.11 0.00 3.41 3.44 0.00 5.72 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.14 4.21 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.86 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 96 F 7.76 4.47 0.00 2.91 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.58 3.28 0.00 1.86 1.44 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.05 1.18 7.81 98 G 8.40 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 0.00 0.00 0.00 99 H 8.48 4.89 0.00 3.09 3.32 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.07 4.21 1.87 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 1.34 0.76 0.91 0.00 0.00 101 A 8.70 4.28 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 0.00 102 C 8.24 4.45 0.00 3.06 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 0.00 103 D 7.95 5.00 0.00 2.96 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 0.00 104 A 7.26 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 9.07 4.75 0.00 2.88 2.89 0.00 0.00 6.53 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.52 5.03 0.00 3.97 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 0.00 107 K 9.28 4.52 0.00 1.90 1.85 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.62 7.81 108 S 7.64 5.11 0.00 4.00 4.16 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 0.00 0.00 0.00 109 E 8.71 5.39 0.00 2.05 1.69 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 2.10 2.37 0.00 110 I 8.43 4.94 1.23 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.11 -0.44 0.00 0.00 111 V 8.86 4.83 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 0.83 0.00 0.00 0.87 0.00 0.00 112 V 9.12 4.77 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 0.99 0.00 0.00 0.87 0.00 0.00 113 P 0.00 4.63 0.00 1.46 1.88 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 114 I 8.79 4.55 1.84 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.20 0.93 0.00 0.00 115 F 9.80 5.37 0.00 2.84 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 9.45 4.35 0.00 1.71 1.64 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.41 7.81 117 D 9.90 4.34 0.00 2.81 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 0.00 118 D 8.19 4.76 0.00 2.86 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 0.00 119 K 8.07 4.77 0.00 1.82 1.64 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.44 7.81 120 I 8.33 4.21 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.68 0.73 0.00 0.00 121 I 9.12 4.26 1.86 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 1.40 0.72 0.91 0.00 0.00 122 G 6.95 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 0.00 0.00 0.00 0.00 123 V 7.71 4.97 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 0.66 0.00 0.00 1.02 0.00 0.00 124 L 9.21 4.70 0.00 1.78 1.66 0.50 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.82 5.28 0.00 2.88 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 0.00 126 I 8.54 5.22 1.58 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 1.15 0.45 1.17 0.00 0.00 127 D 9.51 5.51 0.00 2.88 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 0.00 128 A 8.60 5.09 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 0.00 0.00 0.00 0.00 0.00 129 P 0.00 5.29 0.00 2.20 2.20 0.00 3.45 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.92 0.00 130 I 7.19 4.67 1.84 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 1.38 0.64 0.89 0.00 0.00 131 T 8.22 4.25 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 1.27 0.00 0.00 132 D 9.01 4.40 0.00 2.90 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 0.00 133 R 7.59 3.68 0.00 1.35 1.17 0.00 2.96 0.00 0.00 2.98 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.50 0.00 134 F 7.24 5.11 0.00 3.09 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 0.00 135 D 8.88 4.88 0.00 2.94 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 0.00 136 D 8.73 4.41 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 0.00 137 N 9.02 4.19 0.00 2.72 2.98 0.00 0.00 7.14 8.38 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 0.00 138 D 8.29 4.35 0.00 3.12 3.04 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 0.00 139 K 8.06 3.77 0.00 1.80 1.97 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.51 7.81 140 E 7.82 4.12 0.00 2.02 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 2.27 2.27 0.00 141 H 7.65 4.15 0.00 2.05 2.76 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.97 4.04 0.00 1.85 1.68 0.85 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.99 4.01 0.00 2.11 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 2.33 2.53 0.00 144 A 8.12 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 0.00 145 I 8.00 3.73 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.40 1.00 0.00 0.00 146 V 7.94 3.67 2.33 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 1.15 0.00 0.00 1.03 0.00 0.00 147 K 8.31 4.14 0.00 1.92 2.06 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.41 7.81 148 I 7.86 3.73 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.23 0.95 0.00 0.00 149 I 7.69 3.80 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.24 0.84 0.00 0.00 150 E 9.00 4.07 0.00 2.16 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 0.00 2.57 2.55 0.00 151 K 8.05 4.10 0.00 1.99 1.88 0.00 1.61 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.54 7.81 152 Q 7.55 4.11 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 153 L 7.62 4.31 0.00 1.65 1.71 0.87 0.67 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 0.00 154 A 7.75 4.32 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