NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4063 8.4345 117.0948 57.5825 64.5336 173.4257 *3 H 4.7097 9.0890 117.1921 51.6580 30.2155 175.6517 4 M 4.4867 9.6163 133.2407 54.5276 35.3225 175.7948 5 K 4.0567 8.0190 127.1658 60.0608 32.3845 178.2092 6 H 4.0318 8.1222 115.8123 59.2132 28.4193 177.9689 7 T 3.9000 8.0555 117.6494 66.6837 68.2874 176.6784 8 E 3.9864 8.0303 119.8335 58.8741 29.2925 179.1604 9 L 3.8459 7.8951 119.6064 57.9244 41.7403 179.6897 10 R 3.9382 8.1173 117.4887 58.8950 29.8813 178.8761 11 A 3.9238 7.6432 120.8824 55.1521 18.4501 179.2802 12 A 3.9782 8.0281 118.7301 55.2263 18.4911 180.2115 13 V 3.4774 7.4968 116.4559 66.2526 31.7481 178.2646 14 L 3.9911 8.1868 119.0731 57.8843 41.4737 179.4409 15 D 4.1991 8.5106 119.0097 57.3092 40.6214 178.6970 16 A 4.0791 7.6035 119.2014 54.5187 18.3311 179.2630 17 L 4.2970 7.7277 120.0111 58.3480 41.9703 179.8340 18 E 3.8220 7.9267 120.4646 61.1358 29.3047 181.4730 19 K 4.0634 7.5928 121.8044 60.4026 31.7514 182.1150 20 H 4.6795 8.1476 116.1542 55.6399 30.5221 175.2875 21 D 4.4542 8.4783 122.5065 54.8597 36.6017 181.0525 22 T 4.0116 7.9145 113.0707 61.9458 69.1616 177.4731 23 G 4.2993 8.3390 107.7493 46.8769 0.0000 173.2146 24 A 4.9162 7.5902 120.8935 50.6147 22.0391 176.7801 25 T 4.6181 8.1199 115.4347 62.2063 70.4654 174.7135 26 F 5.6426 8.9358 124.8616 55.7582 41.3883 175.3133 27 F 4.6816 8.8241 118.1434 56.1068 43.2519 173.8492 28 D 5.1756 8.8671 123.5888 51.8822 39.8880 174.1666 29 G 3.7989 8.8817 109.8959 43.4912 0.0000 170.6019 30 R 4.1503 7.9232 119.6639 53.7302 31.0452 175.1371 31 P 4.1205 0.0000 0.0000 62.7030 31.3360 176.5701 *33 V 3.8462 8.1727 114.3594 60.7654 32.9182 171.5655 34 F 4.7555 8.6398 122.2902 54.6152 42.1922 174.0308 35 D 4.8485 9.5760 125.2000 53.5761 42.4658 178.6066 36 E 3.8640 8.7914 120.5248 59.0495 30.0564 175.9708 37 A 4.2375 7.8431 120.7202 54.2865 18.6928 178.2718 38 D 4.5811 9.1688 115.1912 56.4553 41.1338 177.4435 39 F 4.6061 7.0147 117.1403 57.2248 39.6074 173.8393 40 P 4.6756 0.0000 0.0000 62.3370 32.5251 175.1628 41 A 4.9794 8.7783 128.4149 51.1243 22.2017 176.9874 42 V 4.7710 8.4392 118.3784 59.7584 35.3618 175.0522 43 A 5.3799 9.1331 128.5411 49.5569 21.8014 175.6835 44 V 5.3715 8.8779 120.0494 60.3892 34.8344 174.1263 45 Y 5.1110 8.0867 123.5496 56.5965 41.0456 172.7195 46 L 6.0842 8.9894 119.2572 52.7770 44.8362 176.1730 47 T 4.6498 8.0941 110.1094 60.8233 72.5467 174.1756 48 G 3.9652 9.1403 109.9354 46.2463 0.0000 173.4607 49 A 4.7289 8.1453 120.7718 52.5903 19.0430 177.6589 50 E 4.4854 9.1253 117.1077 55.1091 33.3988 174.2330 51 Y 2.8478 7.3207 126.5303 58.2780 38.9058 175.8958 52 T 4.0357 8.1391 119.2274 60.2794 71.0973 170.9630 53 G 3.9061 6.4186 109.2052 46.7260 0.0000 176.1624 54 E 3.8955 7.3520 123.7284 58.9149 30.2031 178.7203 55 E 3.8941 7.9886 114.3804 59.3537 29.7957 180.9987 56 L 4.0678 7.6857 117.8228 55.3540 42.1223 174.9663 57 D 4.4642 8.3046 122.1568 54.8899 39.0423 173.4352 58 S 4.6209 9.1205 117.5731 57.0684 66.0705 174.2253 59 D 5.2121 8.7048 117.9237 56.1186 42.0203 176.9436 60 T 4.0756 8.1651 116.4066 64.4404 69.4846 173.0144 61 W 5.2380 9.1058 124.5800 54.8905 33.7052 174.0364 62 Q 5.4178 8.6762 121.9628 53.5922 32.7430 173.5511 63 A 4.7063 8.1970 122.2375 51.7071 22.7308 174.3694 64 E 4.9793 8.9474 121.0520 54.6595 31.9451 174.4007 65 L 4.8930 8.8568 129.4840 54.0024 44.0662 174.4707 66 H 5.0292 9.2271 124.2598 54.1869 31.5127 174.0415 67 I 4.9328 8.4764 123.0628 59.3365 38.3475 172.2571 68 E 4.6984 8.9105 126.2088 54.7906 31.6102 174.3710 69 V 4.4679 8.6769 127.3233 61.2801 33.7347 174.1340 70 F 4.9845 8.9296 127.0198 55.6470 41.2922 174.6107 71 L 4.7498 8.7014 123.7308 51.5242 44.7230 174.2376 72 P 3.3285 0.0000 0.0000 63.0705 31.0796 176.7069 73 A 3.4091 8.6891 126.6256 54.4720 17.2942 180.0299 74 Q 4.4131 8.6302 119.3820 55.3586 29.1299 173.4919 75 V 4.5008 8.1008 117.5895 57.4304 34.3792 174.4359 76 P 4.2634 0.0000 0.0000 62.8659 31.8763 176.9022 77 D 4.5677 8.7000 119.5375 57.6473 40.8263 179.2564 78 S 4.4379 8.0720 115.3402 61.0852 62.7119 176.1822 79 E 3.9910 8.1862 122.4412 59.1675 29.3997 178.5089 80 L 4.0578 8.0357 118.5176 58.2855 41.8095 178.9710 81 D 4.8868 9.1831 119.9544 56.7710 40.6730 179.1524 82 A 3.9966 8.0054 120.6159 55.0344 18.5558 179.1961 83 W 3.9877 8.5554 127.1857 60.9566 30.6750 177.7752 84 M 4.3179 8.9077 120.7131 59.5729 31.5532 178.8031 85 E 4.1802 8.3017 119.5240 61.5914 29.9615 181.4688 86 S 4.4082 8.2969 118.9095 63.0821 62.6196 178.4335 87 R 4.4645 7.5137 118.6355 55.9599 30.8737 177.1961 88 I 4.4089 7.7889 120.4195 63.7717 38.9048 177.6169 *89 Y 4.1577 7.9425 120.7455 62.1046 36.3413 178.9391 90 P 4.4859 0.0000 0.0000 65.2716 31.6832 178.7373 91 V 3.6604 7.8249 117.0799 66.3345 31.4082 178.0292 92 M 4.0013 8.0771 116.5610 58.4560 31.8200 178.5145 93 S 4.5080 7.8183 114.4187 60.4541 63.6947 174.3766 94 D 4.5138 7.7288 119.1221 53.6618 42.7948 174.3964 95 I 4.4393 7.5823 128.4465 57.7493 37.0151 174.3670 96 P 4.4888 0.0000 0.0000 65.1475 30.8852 178.2751 97 A 3.9669 7.9221 119.0417 55.0051 18.4726 178.9429 98 L 3.9719 7.9840 118.8139 58.3339 42.4011 179.1919 99 S 3.6309 8.1128 113.4841 61.0857 62.4156 174.9376 100 D 4.6355 7.5968 120.6899 54.7289 40.9592 176.4354 101 L 4.5657 8.7184 119.9341 54.1490 43.3544 175.6293 102 I 4.7256 7.1645 110.6861 59.2178 40.1635 174.7722 103 T 4.6511 9.0003 110.3286 62.6860 70.6215 174.5448 104 S 4.6990 7.7673 115.3894 58.2224 66.6542 173.6032 105 M 5.3529 8.3894 118.4759 55.7914 35.0498 173.5140 106 V 4.5115 8.0973 120.5733 60.7603 34.4092 171.5602 107 A 4.0576 8.9672 126.0079 53.0596 18.3486 178.2442 108 S 4.5080 8.5093 116.8327 58.1345 65.7450 173.6999 109 G 3.8672 7.1423 102.8380 47.5654 0.0000 172.1333 110 Y 5.4512 7.6674 118.9652 58.1760 40.4185 172.9559 111 D 5.3290 8.4448 125.7146 52.6457 44.3213 174.5789 112 Y 5.1329 8.6889 117.5587 56.5432 40.7243 175.2320 113 R 4.9391 8.9866 123.7020 55.7847 35.3893 174.4229 114 R 4.4413 8.0933 118.6534 56.0828 33.7183 174.1364 115 D 3.8061 7.3890 118.8210 53.4498 40.1140 176.6176 116 D 4.8060 7.9791 120.3564 54.3647 40.7303 176.4011 117 D 4.6497 8.5064 118.3135 55.5850 42.8123 176.9663 118 A 4.5543 8.3419 117.0915 50.6124 20.0960 175.9001 119 G 3.8762 7.8023 103.0913 46.4508 0.0000 174.1914 120 L 4.4823 8.3495 117.5213 53.6535 42.4221 176.7705 121 W 4.6028 6.3711 114.1217 56.4220 30.7583 173.3391 122 S 5.3064 8.9085 117.8792 56.8661 65.9988 173.3640 123 S 5.1323 9.5433 117.5835 56.4406 67.0082 172.5257 124 A 4.7941 8.4734 121.4720 50.0502 22.3399 174.4606 125 D 4.8042 8.8512 122.4925 52.2315 43.9812 174.2482 126 L 4.6401 8.1236 128.4444 53.7524 44.0532 175.2920 127 T 5.6603 7.9445 114.4152 59.2263 72.7076 172.2579 128 Y 5.0326 8.2403 118.5628 56.4650 42.9353 174.0089 129 V 4.7943 8.5498 123.0017 61.4572 33.5515 174.6912 130 I 5.1352 8.8268 121.2544 59.2736 41.1364 174.3358 131 T 5.2271 8.3541 113.5051 60.4544 71.7299 172.3533 132 Y 5.0522 8.3194 120.5743 56.6085 41.9316 172.5464 133 E 5.1901 8.7970 119.5818 54.6295 31.5578 176.3656 134 M 4.1117 8.5783 122.3484 55.7417 31.9428 176.2314 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 S 8.43 4.41 0.00 3.65 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 *3 H 9.09 4.71 0.00 2.98 2.84 0.00 7.29 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 9.62 4.49 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 5 K 8.02 4.06 0.00 1.67 1.65 0.00 1.50 0.00 0.00 1.69 0.00 0.00 3.28 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.70 7.81 6 H 8.12 4.03 0.00 3.10 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.06 3.90 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 1.24 0.00 0.00 8 E 8.03 3.99 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 9 L 7.90 3.85 0.00 1.73 1.55 0.21 0.66 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 10 R 8.12 3.94 0.00 1.88 2.02 0.00 3.42 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 11 A 7.64 3.92 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 12 A 8.03 3.98 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 13 V 7.50 3.48 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 1.04 0.00 0.00 0.95 0.00 0.00 14 L 8.19 3.99 0.00 1.82 1.61 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.51 4.20 0.00 2.59 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 16 A 7.60 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 17 L 7.73 4.30 0.00 1.84 2.13 1.26 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.93 3.82 0.00 1.99 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 2.24 2.19 0.00 19 K 7.59 4.06 0.00 1.87 1.78 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.37 7.81 20 H 8.15 4.68 0.00 3.10 3.41 0.00 5.97 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.48 4.45 0.00 2.74 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 22 T 7.91 4.01 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 1.21 0.00 0.00 23 G 8.34 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 0.00 0.00 0.00 0.00 24 A 7.59 4.92 1.16 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 0.00 0.00 25 T 8.12 4.62 4.43 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 1.15 0.00 0.00 26 F 8.94 5.64 0.00 2.87 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 27 F 8.82 4.68 0.00 2.97 2.97 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 28 D 8.87 5.18 0.00 2.70 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 29 G 8.88 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 30 R 7.92 4.15 0.00 0.67 1.25 0.00 2.21 0.00 0.00 2.95 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.33 0.00 31 P 0.00 4.12 0.00 0.80 0.96 0.00 3.46 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.44 0.00 *33 V 8.17 3.85 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 0.78 0.00 0.00 0.93 0.00 0.00 34 F 8.64 4.76 0.00 2.59 2.37 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 35 D 9.58 4.85 0.00 2.78 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.79 3.86 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 2.32 1.94 0.00 37 A 7.84 4.24 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 38 D 9.17 4.58 0.00 2.50 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 39 F 7.01 4.61 0.00 2.89 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 40 P 0.00 4.68 0.00 1.85 1.40 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.18 0.00 41 A 8.78 4.98 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 42 V 8.44 4.77 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 0.74 0.00 0.00 0.93 0.00 0.00 43 A 9.13 5.38 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.88 5.37 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 1.21 0.00 0.00 1.11 0.00 0.00 45 Y 8.09 5.11 0.00 3.13 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 46 L 8.99 6.08 0.00 1.57 1.64 0.65 0.90 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 47 T 8.09 4.65 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 48 G 9.14 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.15 4.73 1.62 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 50 E 9.13 4.49 0.00 1.86 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 2.11 2.01 0.00 51 Y 7.32 2.85 0.00 1.67 2.36 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 52 T 8.14 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 1.21 0.00 0.00 53 G 6.42 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 0.00 0.00 0.00 54 E 7.35 3.90 0.00 1.70 1.70 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 2.35 2.36 0.00 55 E 7.99 3.89 0.00 2.02 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 2.25 1.95 0.00 56 L 7.69 4.07 0.00 1.60 1.75 0.90 1.00 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 57 D 8.30 4.46 0.00 2.85 2.75 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 58 S 9.12 4.62 0.00 3.56 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.70 5.21 0.00 2.64 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.17 4.08 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 1.18 0.00 0.00 61 W 9.11 5.24 0.00 2.71 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 62 Q 8.68 5.42 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 63 A 8.20 4.71 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.95 4.98 0.00 2.06 1.83 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 2.00 2.34 0.00 65 L 8.86 4.89 0.00 1.80 1.74 0.88 0.91 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 66 H 9.23 5.03 0.00 1.40 2.32 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.48 4.93 1.90 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 1.18 1.02 0.99 0.00 0.00 68 E 8.91 4.70 0.00 2.11 1.84 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 1.50 2.06 0.00 69 V 8.68 4.47 1.83 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 -0.10 0.00 0.00 0.90 0.00 0.00 70 F 8.93 4.98 0.00 2.54 2.43 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 71 L 8.70 4.75 0.00 1.35 1.33 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 3.33 0.00 1.95 1.89 0.00 3.62 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 73 A 8.69 3.41 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 74 Q 8.63 4.41 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.64 0.00 0.00 0.00 0.00 0.00 2.15 1.90 0.00 75 V 8.10 4.50 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 0.91 0.00 0.00 0.88 0.00 0.00 76 P 0.00 4.26 0.00 2.22 2.22 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 77 D 8.70 4.57 0.00 2.61 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 78 S 8.07 4.44 0.00 3.88 3.94 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 79 E 8.19 3.99 0.00 2.10 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 2.41 2.41 0.00 80 L 8.04 4.06 0.00 2.13 1.80 1.11 1.02 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 81 D 9.18 4.89 0.00 2.91 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 82 A 8.01 4.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 W 8.56 3.99 0.00 3.57 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 M 8.91 4.32 0.00 2.49 2.19 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 85 E 8.30 4.18 0.00 2.13 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 2.26 2.19 0.00 86 S 8.30 4.41 0.00 3.68 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 87 R 7.51 4.46 0.00 0.79 1.56 0.00 2.21 0.00 0.00 2.68 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 0.00 88 I 7.79 4.41 2.14 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 1.62 1.18 0.99 0.00 0.00 *89 Y 7.94 4.16 0.00 2.31 2.34 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 90 P 0.00 4.49 0.00 1.99 2.15 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 91 V 7.82 3.66 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.66 0.00 0.00 92 M 8.08 4.00 0.00 1.99 2.22 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 2.73 2.64 0.00 93 S 7.82 4.51 0.00 4.03 3.95 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 94 D 7.73 4.51 0.00 2.60 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 95 I 7.58 4.44 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.86 0.00 0.00 96 P 0.00 4.49 0.00 2.24 2.32 0.00 3.95 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 2.06 1.91 0.00 97 A 7.92 3.97 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 98 L 7.98 3.97 0.00 1.71 1.78 0.85 0.66 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 99 S 8.11 3.63 0.00 4.08 4.11 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 0.00 100 D 7.60 4.64 0.00 2.76 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 0.00 101 L 8.72 4.57 0.00 1.55 1.63 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.16 4.73 2.18 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 1.51 0.77 0.96 0.00 0.00 103 T 9.00 4.65 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 1.28 0.00 0.00 104 S 7.77 4.70 0.00 4.10 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 0.00 105 M 8.39 5.35 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 106 V 8.10 4.51 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 0.62 0.00 0.00 0.97 0.00 0.00 107 A 8.97 4.06 1.16 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 0.00 0.00 108 S 8.51 4.51 0.00 3.38 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 0.00 109 G 7.14 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 0.00 110 Y 7.67 5.45 0.00 2.97 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.44 5.33 0.00 2.65 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 0.00 112 Y 8.69 5.13 0.00 2.83 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 0.00 113 R 8.99 4.94 0.00 1.95 1.98 0.00 3.33 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 114 R 8.09 4.44 0.00 1.55 1.64 0.00 3.25 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.19 0.00 115 D 7.39 3.81 0.00 1.58 1.73 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 0.00 116 D 7.98 4.81 0.00 2.64 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 0.00 117 D 8.51 4.65 0.00 2.79 2.64 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 0.00 118 A 8.34 4.55 1.30 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 0.00 0.00 0.00 119 G 7.80 3.88 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 0.00 0.00 0.00 120 L 8.35 4.48 0.00 1.84 2.00 1.05 0.93 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 0.00 121 W 6.37 4.60 0.00 3.29 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 0.00 122 S 8.91 5.31 0.00 3.73 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 0.00 123 S 9.54 5.13 0.00 3.05 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.47 4.79 1.03 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 0.00 125 D 8.85 4.80 0.00 2.54 2.41 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 0.00 126 L 8.12 4.64 0.00 1.50 1.38 0.67 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.94 5.66 4.02 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 1.05 0.00 0.00 128 Y 8.24 5.03 0.00 2.89 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 0.00 129 V 8.55 4.79 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 1.02 0.00 0.00 0.95 0.00 0.00 130 I 8.83 5.14 2.09 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 1.55 0.91 0.98 0.00 0.00 131 T 8.35 5.23 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 1.23 0.00 0.00 132 Y 8.32 5.05 0.00 3.12 3.12 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 0.00 133 E 8.80 5.19 0.00 1.94 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 0.00 2.33 2.41 0.00 134 M 8.58 4.11 0.00 1.69 1.69 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.00 0.00 * Residues marked with a * may have inaccurate shift predictions.