NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9986 8.3549 109.7417 45.6737 0.0000 173.1459 2 L 4.5170 8.2664 123.6886 50.6831 44.3756 175.1860 3 S 4.4903 9.1959 117.8038 58.1329 66.1050 174.8585 4 D 4.7182 8.8316 122.3425 57.5929 40.6183 179.4637 5 G 3.6294 8.0613 105.7985 47.8589 0.0000 175.5421 6 E 3.9561 8.1916 121.2414 58.9148 29.4246 179.5120 7 W 4.3990 8.5451 119.4518 59.6003 28.9663 178.1707 8 E 4.0328 8.4782 119.4771 59.3337 29.0931 178.8973 9 L 4.0233 7.9104 118.7470 57.8012 41.6755 179.7020 10 V 3.7130 7.9441 118.2000 66.0864 31.5037 178.1618 11 L 4.1908 8.3435 118.8419 57.7445 41.2486 179.6284 12 K 4.0746 8.2503 117.8344 59.6826 32.2842 179.1622 13 T 4.0630 8.0709 116.0938 66.5394 68.4338 176.4227 14 W 4.1875 8.6370 130.3290 60.2417 30.1633 177.8413 15 G 3.8645 8.1807 105.9014 48.1482 0.0000 175.7263 16 K 3.9410 7.6663 119.5382 59.0084 32.3261 179.3509 17 V 2.8906 7.0528 118.0401 65.7158 31.1379 177.8061 18 E 3.8455 7.6114 116.6658 58.7659 29.2922 178.7752 19 A 4.2413 7.2971 118.8915 53.7352 19.7179 177.6768 20 D 4.6852 7.8802 116.6123 52.2694 42.8731 175.4698 21 I 3.6217 7.9391 124.8367 63.4374 37.6320 175.7009 22 P 4.3872 0.0000 0.0000 65.4432 31.1941 178.9691 23 G 3.7065 8.2617 105.8482 47.6617 0.0000 175.6347 24 H 4.2351 8.2540 119.2281 58.3155 28.8101 178.1695 25 G 3.6419 8.5242 108.0685 47.6630 0.0000 175.3279 26 E 3.9329 8.2194 121.7387 59.5006 29.7014 179.1300 27 T 3.8757 7.6785 115.2584 66.4732 68.3725 176.9139 28 V 3.4517 7.6961 120.2501 65.9417 31.4458 178.2217 29 F 3.4146 7.8520 117.0943 60.1255 38.7058 177.8322 30 V 3.5587 7.8002 117.9143 66.0795 31.2234 178.2576 31 R 3.8240 7.9715 117.7199 59.0666 29.9090 178.7769 32 L 3.8792 7.7984 120.0763 58.3654 41.6056 179.1328 33 F 4.6966 8.3340 118.2370 60.5120 38.6096 177.9367 34 T 4.1562 7.9927 109.1417 64.5011 68.9126 176.9995 35 G 3.6501 8.1251 108.0025 46.5641 0.0000 173.8305 36 H 4.8171 8.1204 118.2141 51.7560 29.7964 171.9061 37 P 4.4847 0.0000 0.0000 64.5303 31.3444 177.5293 38 E 4.0996 8.2592 116.3453 59.5260 29.5119 179.1387 39 T 3.7506 8.0742 110.9639 64.5656 68.7179 176.1729 40 L 3.6105 7.9026 122.7215 57.8435 41.7626 178.6698 41 E 4.1709 7.9292 117.1852 58.5469 29.4457 178.6330 42 K 4.4775 8.0780 116.9834 56.8096 32.7808 177.2892 43 F 4.6179 8.1926 119.3053 55.3489 39.7130 175.7348 44 D 4.4581 8.5454 124.4847 55.5607 39.5285 177.9808 45 K 4.0676 7.7918 117.3097 57.9660 33.2695 177.1364 46 F 5.0652 7.7066 117.3207 57.0865 40.2517 177.2940 47 K 3.9109 8.3055 120.4123 59.6468 31.8814 177.5414 48 H 4.3946 8.1881 111.8927 56.6925 28.9607 175.0428 49 L 4.2024 7.6812 121.7171 54.2379 41.5219 176.4718 50 K 4.4018 9.6031 123.7841 56.3028 34.2279 176.8100 51 T 4.6669 7.5708 108.3247 59.0888 72.7670 174.4190 52 E 4.0055 8.6384 121.3790 59.4771 29.4644 178.9832 53 G 3.5976 8.0420 105.2006 47.8938 0.0000 175.3793 54 E 4.0043 7.8459 119.5481 59.3147 29.7744 179.0591 55 M 4.1471 7.9761 118.6657 58.4159 31.8555 179.0060 56 K 3.9701 8.1315 117.2575 58.9258 32.2739 178.3450 57 A 4.4591 7.4701 118.5768 51.4312 19.1953 176.8906 58 S 4.4236 7.5895 114.0859 57.0611 62.8107 174.7590 59 E 4.0556 8.7832 128.4601 59.3221 29.2666 178.8972 60 D 4.4234 8.1213 118.7875 57.3185 41.0959 178.3521 61 L 3.2711 8.1706 121.0432 57.7124 41.9775 178.8513 62 K 4.0492 7.7977 120.8467 58.9549 32.1298 178.8946 63 K 4.0111 8.3067 118.8942 59.4760 31.8497 179.0811 64 Q 4.1594 8.2983 120.0715 59.0198 28.8340 178.5226 65 G 3.8789 7.9850 106.5917 47.8999 0.0000 175.7875 66 V 3.6449 7.8658 120.8214 65.9527 31.5579 178.1803 67 T 3.9243 8.0356 115.4161 66.6718 68.3641 176.7282 68 V 3.6871 8.2614 120.2121 66.2985 31.6076 178.1765 69 L 4.3089 8.3753 118.8432 57.8559 41.3983 179.6634 70 T 3.9660 8.4390 116.0869 66.5923 68.4633 176.3379 71 A 3.9849 7.9875 122.5110 55.2310 18.3710 179.4810 72 L 3.6965 8.1533 118.9687 57.9435 42.1062 179.2707 73 G 3.1597 8.4417 106.1309 47.5285 0.0000 175.6940 74 G 3.6599 7.6875 107.0833 47.5519 0.0000 175.4538 75 I 3.8289 7.5032 122.2843 64.1584 37.1438 178.6609 76 L 3.9881 7.7702 119.8494 57.5731 41.1132 179.6628 77 K 3.9196 7.6214 117.4003 58.5806 32.2391 178.6745 78 K 3.9635 7.9291 117.8550 55.9241 32.5176 176.6493 79 K 2.0000 8.3082 118.3770 56.3553 29.9057 175.3800 80 G 3.9257 7.7956 106.0927 45.7565 0.0000 174.1685 81 H 4.6228 7.2077 118.9973 55.0273 27.3528 174.7402 82 H 5.3081 7.5672 111.6418 54.0220 29.6556 176.3762 83 E 3.9905 8.6027 121.2979 60.6133 28.6569 178.6874 84 A 4.0046 7.8660 119.8814 54.9177 19.2271 178.9834 85 E 4.1605 8.1688 116.7012 58.9409 29.6468 179.1686 86 I 3.7534 8.0031 113.5117 63.5325 37.8547 177.6018 87 Q 3.9456 7.8029 121.5336 59.0114 28.7205 177.0197 88 P 4.2636 0.0000 0.0000 65.4706 31.4259 178.4123 89 L 3.9881 7.4656 117.0727 58.2279 42.0318 178.8525 90 A 4.1689 8.3673 121.1452 55.0835 18.2915 179.2830 91 Q 3.7717 8.1150 118.2777 59.4253 29.1261 178.8497 92 S 4.0071 8.2655 115.3823 61.8041 62.9801 176.1131 93 H 4.0972 8.4740 119.7121 58.2161 27.7104 177.7708 94 A 3.0881 7.8453 122.9488 54.9116 17.9026 179.5368 95 T 3.9491 7.2154 106.1834 62.9781 69.4525 175.6625 96 K 4.1743 7.4291 120.6445 58.4492 33.1392 177.1509 97 H 4.2613 7.8667 114.7310 56.6608 29.1213 175.6834 98 K 3.7682 7.0164 113.6154 57.3105 29.3461 176.1967 99 I 4.2448 7.9486 119.7269 58.9053 38.4561 175.0474 100 P 4.4220 0.0000 0.0000 62.2553 32.1664 177.2392 101 I 3.2787 8.2869 121.2834 64.6387 37.0108 178.4406 102 K 3.8007 7.8138 119.6081 59.6649 31.8938 178.1965 103 Y 4.1715 7.8553 116.9454 60.6366 37.7044 178.1971 104 L 4.1377 7.9339 120.3934 57.5929 41.6451 179.2492 105 E 3.9695 7.8243 118.2395 59.3407 29.4215 179.1520 106 F 4.4923 7.6287 117.4967 60.8071 39.0115 177.6503 107 I 3.6888 8.0383 118.1883 63.9333 37.7275 178.1794 108 S 4.1555 8.1632 116.2778 61.6453 62.6187 176.1567 109 D 4.4314 8.2436 121.3511 57.4877 40.6263 178.7714 110 A 3.9698 8.2349 121.1505 55.2016 18.3417 179.7687 111 I 3.6165 7.7138 118.1677 64.5777 37.2348 178.5976 112 I 3.7558 7.8472 120.5821 64.7442 36.9693 177.9091 113 H 4.1134 8.5025 119.1370 59.3421 29.6698 177.4746 114 V 3.5267 7.8749 119.9755 65.8943 31.3497 178.0047 115 L 3.7949 7.7977 118.7493 57.6842 41.3538 179.4638 116 Q 4.2028 8.1055 117.9482 59.2244 28.4648 179.2118 117 S 4.1562 7.7997 114.8426 61.4918 62.9647 176.5194 118 K 4.0591 8.1404 120.2675 58.0273 33.1972 177.0613 119 H 5.0358 8.1439 115.4894 53.7022 29.4548 172.6716 120 P 4.3887 0.0000 0.0000 65.2432 31.5318 178.1872 121 A 4.1861 7.9655 120.1774 53.8821 18.6574 177.8109 122 E 4.3495 8.2078 113.1979 57.1089 30.2520 176.6732 123 F 4.7652 7.9456 122.2913 56.5784 38.3401 175.5842 124 G 3.8771 7.6604 112.6512 42.8039 0.0000 170.4678 125 A 3.9581 8.2956 120.7750 54.8291 18.1806 179.6743 126 D 4.1462 7.8626 117.1276 56.7760 39.7408 178.6092 127 A 3.9902 7.7433 122.4784 54.3733 18.3287 179.2681 128 Q 3.6292 8.0073 118.7079 59.0396 29.1108 178.5009 129 G 3.5550 8.1115 106.6961 47.8165 0.0000 175.5032 130 A 3.8890 7.9361 123.3177 54.9774 18.3917 179.4226 131 M 4.0393 8.2642 116.8041 58.7137 32.2797 178.6214 132 K 4.0150 8.3653 118.9377 59.2701 32.2188 179.2344 133 K 3.8357 8.1154 119.6872 59.3278 32.1191 178.7327 134 A 3.7841 7.8724 120.9624 55.2249 18.3440 179.6942 135 L 4.0729 7.9718 117.5396 57.7551 41.5514 179.4099 136 E 3.9525 8.4660 119.6489 59.0033 29.5077 178.5508 137 L 3.9494 8.0659 120.4081 58.1866 42.2090 178.3840 138 F 4.1609 8.3477 120.4184 61.6798 39.2198 177.1619 139 R 3.5160 8.1742 117.2209 59.3527 29.9324 178.9005 140 N 4.2463 8.4298 116.4606 56.4233 38.5734 177.2831 141 D 4.3726 8.3136 120.5206 57.2021 40.7903 178.9174 142 I 3.5529 7.4151 120.1836 64.1738 37.0666 178.1944 143 A 3.6787 7.9654 121.5870 55.0265 18.1580 179.4229 144 A 3.9473 7.9906 119.1575 55.3187 18.5012 179.8336 145 K 3.9660 7.9696 117.9068 59.7102 32.2488 178.5316 146 Y 4.0438 8.5518 117.4771 61.1813 37.8791 178.9284 147 K 4.4591 8.2877 120.5647 59.0383 31.9482 178.8972 148 E 3.9895 8.0823 118.4698 59.1981 29.6140 178.1374 149 L 4.4080 7.7749 116.1021 54.5501 42.0616 176.9591 150 G 3.6810 8.0337 106.9520 46.6366 0.0000 173.4881 151 F 4.7331 8.1260 116.9419 54.7510 41.8353 175.2052 152 Q 4.3173 8.8431 121.6752 55.9282 28.9312 176.9420 153 G 3.7305 8.6762 111.1689 45.6340 0.0000 172.4483 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 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 2 L 8.27 4.52 0.00 0.62 0.81 0.49 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.20 4.49 0.00 4.09 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 4 D 8.83 4.72 0.00 2.78 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.06 3.63 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 0.00 0.00 0.00 6 E 8.19 3.96 0.00 1.94 1.75 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 2.23 2.27 0.00 7 W 8.55 4.40 0.00 3.53 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 8 E 8.48 4.03 0.00 2.24 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 2.36 2.41 0.00 9 L 7.91 4.02 0.00 1.98 1.73 0.90 0.69 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 10 V 7.94 3.71 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 1.20 0.00 0.00 0.86 0.00 0.00 11 L 8.34 4.19 0.00 1.84 1.80 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.25 4.07 0.00 1.79 1.93 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.64 7.81 13 T 8.07 4.06 4.58 0.00 0.00 0.00 0.00 0.00 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 14 W 8.64 4.19 0.00 3.58 3.24 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 15 G 8.18 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.67 3.94 0.00 1.62 1.48 0.00 1.56 0.00 0.00 1.29 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.35 7.81 17 V 7.05 2.89 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 0.00 0.00 0.08 0.00 0.00 0.32 0.00 0.00 18 E 7.61 3.85 0.00 1.89 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 2.15 0.00 19 A 7.30 4.24 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.88 4.69 0.00 2.72 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 21 I 7.94 3.62 1.84 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 1.50 0.43 0.91 0.00 0.00 22 P 0.00 4.39 0.00 2.14 2.09 0.00 3.65 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 2.10 2.15 0.00 23 G 8.26 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.25 4.24 0.00 3.09 3.22 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.52 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.22 3.93 0.00 2.21 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 2.26 2.35 0.00 27 T 7.68 3.88 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 28 V 7.70 3.45 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 0.84 0.00 0.00 29 F 7.85 3.41 0.00 2.85 2.39 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 30 V 7.80 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 1.01 0.00 0.00 1.00 0.00 0.00 31 R 7.97 3.82 0.00 1.98 1.83 0.00 3.25 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 32 L 7.80 3.88 0.00 1.54 1.35 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.33 4.70 0.00 3.01 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 34 T 7.99 4.16 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 1.28 0.00 0.00 35 G 8.13 3.65 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 0.00 0.00 0.00 36 H 8.12 4.82 0.00 3.04 2.94 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.48 0.00 2.15 2.11 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 38 E 8.26 4.10 0.00 2.32 2.31 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 2.27 2.48 0.00 39 T 8.07 3.75 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 0.79 0.00 0.00 40 L 7.90 3.61 0.00 1.34 1.72 -0.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.93 4.17 0.00 2.18 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 2.38 2.55 0.00 42 K 8.08 4.48 0.00 2.00 1.79 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.76 1.97 7.81 43 F 8.19 4.62 0.00 3.23 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 44 D 8.55 4.46 0.00 2.74 2.80 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 45 K 7.79 4.07 0.00 1.53 1.76 0.00 1.00 0.00 0.00 1.47 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.05 0.21 7.81 46 F 7.71 5.07 0.00 3.00 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 47 K 8.31 3.91 0.00 1.78 1.92 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.66 7.81 48 H 8.19 4.39 0.00 3.28 3.42 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.68 4.20 0.00 1.65 1.59 0.86 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.60 4.40 0.00 1.64 1.81 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.55 7.81 51 T 7.57 4.67 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 52 E 8.64 4.01 0.00 2.04 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 2.36 2.37 0.00 53 G 8.04 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.85 4.00 0.00 2.10 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 2.34 2.34 0.00 55 M 7.98 4.15 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.61 0.00 56 K 8.13 3.97 0.00 1.69 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.59 7.81 57 A 7.47 4.46 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 58 S 7.59 4.42 0.00 3.86 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 59 E 8.78 4.06 0.00 2.03 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 2.35 0.00 60 D 8.12 4.42 0.00 2.83 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.17 3.27 0.00 1.11 1.51 -0.45 0.45 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 62 K 7.80 4.05 0.00 1.85 1.94 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.49 7.81 63 K 8.31 4.01 0.00 2.08 1.89 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.62 7.81 64 Q 8.30 4.16 0.00 2.33 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.12 2.44 0.00 65 G 7.99 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 66 V 7.87 3.64 2.29 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 1.16 0.00 0.00 1.02 0.00 0.00 67 T 8.04 3.92 4.58 0.00 0.00 0.00 0.00 0.00 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 68 V 8.26 3.69 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 1.10 0.00 0.00 1.34 0.00 0.00 69 L 8.38 4.31 0.00 1.80 1.83 0.85 1.15 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 70 T 8.44 3.97 4.54 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 1.27 0.00 0.00 71 A 7.99 3.98 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 72 L 8.15 3.70 0.00 1.72 1.65 0.09 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.44 3.16 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 0.00 74 G 7.69 3.66 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 0.00 0.00 0.00 75 I 7.50 3.83 1.83 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 1.55 0.73 0.92 0.00 0.00 76 L 7.77 3.99 0.00 1.17 1.60 0.07 1.26 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 77 K 7.62 3.92 0.00 1.77 1.79 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.44 7.81 78 K 7.93 3.96 0.00 1.73 1.86 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.66 1.59 7.81 79 K 8.31 2.00 0.00 1.25 0.74 0.00 1.52 0.00 0.00 1.45 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.30 0.80 7.81 80 G 7.80 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.21 4.62 0.00 3.21 3.20 0.00 5.60 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 82 H 7.57 5.31 0.00 3.30 3.44 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.60 3.99 0.00 2.24 2.32 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 2.39 2.42 0.00 84 A 7.87 4.00 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 85 E 8.17 4.16 0.00 2.11 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 2.40 2.44 0.00 86 I 8.00 3.75 1.82 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 1.44 1.42 0.86 0.00 0.00 87 Q 7.80 3.95 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 88 P 0.00 4.26 0.00 2.23 2.11 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 89 L 7.47 3.99 0.00 1.91 1.83 1.02 1.16 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 90 A 8.37 4.17 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.11 3.77 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 92 S 8.27 4.01 0.00 3.95 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 93 H 8.47 4.10 0.00 3.52 3.58 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.85 3.09 -0.30 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 95 T 7.22 3.95 4.21 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 1.03 0.00 0.00 96 K 7.43 4.17 0.00 1.58 1.73 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.15 1.35 7.81 97 H 7.87 4.26 0.00 3.20 3.16 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.02 3.77 0.00 1.92 1.88 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.32 7.81 99 I 7.95 4.24 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.91 1.06 0.00 0.00 100 P 0.00 4.42 0.00 1.84 1.96 0.00 2.97 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 0.51 1.42 0.00 101 I 8.29 3.28 1.64 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.64 0.69 0.00 0.00 102 K 7.81 3.80 0.00 1.65 1.58 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.69 1.44 7.81 103 Y 7.86 4.17 0.00 3.14 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 0.00 104 L 7.93 4.14 0.00 1.81 1.71 0.95 0.45 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 0.00 105 E 7.82 3.97 0.00 1.93 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 2.34 2.26 0.00 106 F 7.63 4.49 0.00 3.19 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 0.00 107 I 8.04 3.69 1.91 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.10 1.04 0.00 0.00 108 S 8.16 4.16 0.00 4.15 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 0.00 109 D 8.24 4.43 0.00 2.99 2.80 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 0.00 110 A 8.23 3.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.71 3.62 2.05 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 1.52 0.88 0.97 0.00 0.00 112 I 7.85 3.76 2.09 0.00 0.00 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 1.71 1.17 1.10 0.00 0.00 113 H 8.50 4.11 0.00 3.26 3.43 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.87 3.53 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 0.91 0.00 0.00 0.95 0.00 0.00 115 L 7.80 3.79 0.00 1.18 0.26 0.51 0.51 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 0.00 116 Q 8.11 4.20 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.61 2.86 0.00 117 S 7.80 4.16 0.00 3.72 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 0.00 118 K 8.14 4.06 0.00 1.43 1.38 0.00 1.26 0.00 0.00 1.27 0.00 0.00 2.79 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.27 1.28 7.81 119 H 8.14 5.04 0.00 3.24 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.39 0.00 2.19 2.31 0.00 3.43 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 121 A 7.97 4.19 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 0.00 122 E 8.21 4.35 0.00 2.05 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 2.30 2.27 0.00 123 F 7.95 4.77 0.00 2.97 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 0.00 124 G 7.66 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 0.00 125 A 8.30 3.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.86 4.15 0.00 2.84 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 0.00 127 A 7.74 3.99 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 0.00 128 Q 8.01 3.63 0.00 1.28 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 129 G 8.11 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 0.00 130 A 7.94 3.89 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 0.00 131 M 8.26 4.04 0.00 2.43 2.31 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.80 0.00 132 K 8.37 4.02 0.00 1.98 1.85 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.63 7.81 133 K 8.12 3.84 0.00 1.93 1.72 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.38 7.81 134 A 7.87 3.78 1.20 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 0.00 0.00 0.00 135 L 7.97 4.07 0.00 1.77 1.81 0.98 0.78 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 0.00 136 E 8.47 3.95 0.00 2.14 2.17 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 2.30 2.31 0.00 137 L 8.07 3.95 0.00 1.93 1.98 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.35 4.16 0.00 3.15 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.17 3.52 0.00 2.00 1.84 0.00 3.12 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 140 N 8.43 4.25 0.00 2.69 2.84 0.00 0.00 7.07 7.83 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 0.00 141 D 8.31 4.37 0.00 2.73 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 0.00 142 I 7.42 3.55 1.53 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.22 0.64 0.00 0.00 143 A 7.97 3.68 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 0.00 144 A 7.99 3.95 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 0.00 145 K 7.97 3.97 0.00 1.94 2.02 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.56 7.81 146 Y 8.55 4.04 0.00 3.21 3.05 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 0.00 0.00 0.00 147 K 8.29 4.46 0.00 2.02 1.90 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.52 7.81 148 E 8.08 3.99 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 149 L 7.77 4.41 0.00 1.98 1.88 0.89 1.04 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 0.00 150 G 8.03 3.68 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 0.00 0.00 0.00 151 F 8.13 4.73 0.00 3.15 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 0.00 152 Q 8.84 4.32 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 153 G 8.68 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