NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3388 8.3149 120.1416 55.4351 33.2240 175.6268 2 P 4.2680 0.0000 0.0000 61.8562 32.1345 175.8614 3 A 4.2590 8.4117 122.5537 54.7354 19.1397 179.7139 4 S 4.1065 8.2244 112.0054 62.1742 62.6486 176.3873 5 M 3.9802 7.4853 120.3255 57.4107 31.6340 176.4149 6 Y 4.8727 8.5062 113.7008 56.9557 40.5558 177.2268 7 R 4.2976 8.0232 116.4937 57.8954 29.8303 176.2765 8 D 5.0112 7.2603 118.1273 53.2469 42.2639 177.0796 9 I 4.2571 7.9690 124.0219 59.9687 35.6214 175.1202 10 D 5.0132 8.0598 120.4022 52.3142 40.0788 176.7305 11 K 4.6510 7.6693 116.6625 54.5776 36.1593 174.1397 12 P 4.3993 0.0000 0.0000 62.3475 31.8627 176.1959 13 A 4.3400 8.4018 123.1417 52.5343 18.8996 177.4834 14 Y 4.9248 10.2092 125.4486 55.5711 38.7623 175.2336 15 T 4.4045 7.9484 110.8365 60.1987 70.7947 175.2093 16 R 4.1530 7.7612 121.5183 56.3032 29.3116 177.2466 17 R 3.9324 8.3572 123.7541 58.4691 30.3217 178.9195 18 E 3.9854 7.8030 114.3004 57.8572 29.8558 176.7161 19 Y 4.8098 7.6049 115.1207 57.4481 39.2884 175.1784 20 I 4.6351 7.4012 119.8977 59.5376 40.1740 174.8403 21 T 4.6058 8.2933 114.2407 60.8119 71.5625 173.3254 22 G 3.8122 8.7366 108.0120 46.5433 0.0000 173.6493 23 I 3.9448 7.7520 120.7506 59.5984 37.4343 174.5524 24 P 4.3482 0.0000 0.0000 62.4017 31.8138 176.6540 25 G 3.7687 8.2889 109.8305 45.2115 0.0000 173.5263 26 S 4.2230 8.3152 115.3637 58.0214 62.9769 174.3251 27 K 4.3274 8.7186 124.1677 56.5709 32.4592 176.8820 28 I 4.1245 7.4939 120.8623 60.9918 36.9914 175.9367 29 A 4.2530 9.2210 130.3424 54.6905 18.6926 177.3570 30 Q 4.7325 7.6507 111.5883 55.2821 32.8398 173.7362 31 H 4.7710 8.9093 115.5702 55.4035 31.9872 173.6131 32 K 5.0035 8.2155 116.9576 54.9145 34.8465 175.3764 33 M 4.6052 9.4365 124.5490 54.2740 35.9073 176.3986 34 G 3.2304 8.5268 106.0877 45.5439 0.0000 174.9832 35 R 4.1757 7.9358 119.1752 55.0593 28.6835 177.0033 36 K 4.3205 8.2193 120.3034 57.7845 33.2019 178.5300 37 Q 4.1207 7.9042 118.2706 57.4124 29.1914 175.7599 38 K 4.4766 7.4508 118.3633 54.8945 34.0107 175.3586 39 D 4.7328 8.2623 122.8133 52.9431 42.0438 178.0138 40 A 3.6826 8.1426 124.0229 54.7113 18.5169 179.0152 41 D 4.5098 7.9536 115.6600 57.2813 41.1101 177.5961 42 D 4.6369 7.9322 115.8641 54.9584 40.6112 175.4401 43 Y 4.7775 7.4828 117.2222 55.6523 40.4784 174.2559 44 P 4.5938 0.0000 0.0000 64.2412 32.4695 176.5418 45 V 5.3645 8.0851 119.4345 60.0584 34.8890 174.2928 46 Q 4.8541 8.6891 127.2853 54.5383 32.3008 173.4290 47 I 5.0622 8.6767 127.3242 59.6912 40.6551 174.9820 48 S 5.2763 9.3035 122.8398 56.6986 66.5245 172.9851 49 L 4.7618 8.4909 125.0466 53.7698 43.3853 175.0274 50 I 4.8432 8.9134 128.5085 59.6959 39.1202 175.4469 51 V 4.0585 8.5124 127.3305 62.9705 32.0830 176.3214 52 E 4.2637 8.9230 126.5872 57.1703 30.1619 176.2358 53 E 4.7463 7.8849 117.4384 54.3103 33.4485 175.1081 54 T 4.4326 8.3414 118.1626 63.9864 69.5388 174.2934 55 V 4.5699 8.7325 118.1118 61.0360 36.9368 172.0495 56 Q 5.0808 8.9790 120.3238 54.3130 31.6484 175.2121 57 L 4.8152 8.9576 124.0062 52.6669 44.2239 176.6665 58 R 4.4135 8.6216 123.7651 56.0591 30.9448 177.6787 59 H 4.2111 9.1380 117.8689 58.9775 27.9599 178.2484 60 G 3.5007 7.7542 107.9020 47.5158 0.0000 175.7530 61 S 4.2245 8.2925 117.7681 61.0970 62.9605 176.5705 62 L 3.9931 7.8116 121.2488 57.7975 41.4528 178.8377 63 E 3.9084 8.1574 118.9189 59.3649 29.4858 178.8161 64 A 4.0072 7.7484 120.7997 55.1411 18.3329 179.8203 65 S 4.0517 8.3079 112.9853 61.4902 63.1890 176.6927 66 R 3.6509 8.6078 122.8992 58.8471 29.8334 178.0270 67 L 3.9060 8.3368 120.7566 58.3468 41.9056 179.1344 68 S 4.1697 8.5318 113.6013 60.3052 62.8530 175.8439 69 A 4.0285 7.3944 125.0232 54.7229 18.9579 178.7943 70 N 4.1711 8.4200 115.8437 56.7018 39.0199 176.7873 71 R 3.8428 8.3078 120.5701 59.8228 30.0096 177.9787 72 H 4.0860 7.6593 117.9960 59.2997 29.8804 177.2665 73 L 3.6442 7.6814 120.5639 57.6393 41.1815 179.6506 74 I 3.9964 7.8681 120.2092 64.1348 36.8575 178.3298 75 K 3.9322 7.9031 119.7081 58.9865 32.1244 178.0507 76 E 4.2021 8.0854 117.1149 56.8165 29.8837 176.6950 77 L 4.5807 8.0298 116.0532 53.3857 44.0672 177.6599 78 G 4.0550 8.5031 105.6149 45.2062 0.0000 174.4826 79 E 4.0955 8.5767 119.6476 58.6374 29.6271 178.0930 80 E 4.6558 7.8994 116.7154 55.7617 31.3944 175.5212 81 G 4.0331 8.2182 108.4013 46.0963 0.0000 174.5278 82 D 4.6564 8.4535 120.5493 52.5755 39.7076 174.3404 83 Y 4.9039 7.4872 122.0545 56.1760 41.7725 173.2874 84 K 4.7966 8.4626 116.7514 56.2291 36.2988 174.3741 85 M 5.3867 8.9576 123.6387 54.0802 35.8761 174.2133 86 T 5.2084 9.2787 120.6558 61.8029 73.0914 172.8064 87 L 4.5684 8.8517 128.7808 53.4622 42.3072 176.2368 88 R 4.3212 8.3832 122.9972 57.1344 30.1363 176.7870 89 K 4.7071 7.6187 119.0502 54.7520 34.2242 175.4260 90 F 4.7521 8.4755 119.9115 54.9501 42.0063 174.7308 91 P 4.7421 0.0000 0.0000 62.9633 29.2534 175.3558 92 H 4.4539 8.2122 123.7487 58.6609 29.7375 175.6854 93 Q 4.2413 8.1313 122.3442 55.7074 29.7175 175.5232 94 V 4.3776 8.8142 127.9492 62.6737 32.5793 175.1141 95 L 4.9069 8.9643 127.1694 53.1865 44.7163 175.5070 96 R 5.1497 8.3292 119.3181 54.8212 34.4875 174.2788 97 E 4.5582 8.5855 118.5141 55.7201 33.5478 174.0474 98 N 5.0003 8.9018 126.5063 52.2180 38.1658 174.4323 99 K 4.2256 7.9182 126.6449 54.7043 31.7361 176.6479 *111 D 4.4197 7.6988 118.6960 54.7802 43.0854 174.8047 112 G 3.7611 8.8972 115.5426 45.9489 0.0000 171.9479 113 M 4.3661 9.1767 120.3249 54.8335 33.0933 176.0060 114 R 3.8722 7.8598 120.0331 57.3986 31.3072 176.0919 115 A 3.7665 8.6375 127.2598 53.3872 15.8835 176.9547 116 A 4.2555 7.7591 122.5233 53.3737 19.4947 177.9661 117 F 3.8146 8.5225 117.5345 58.4188 39.3753 175.4357 118 G 3.6965 7.8251 116.8043 45.0673 0.0000 172.5674 119 K 4.4612 8.3177 119.5779 55.8982 34.6296 176.2265 120 I 4.4898 8.2797 122.4748 61.8247 37.2551 176.3101 121 V 4.3631 8.7335 117.7128 60.3511 34.1070 175.5836 122 G 3.8982 7.2090 107.1756 45.8639 0.0000 171.5470 123 T 5.1915 7.4564 107.1061 60.3356 72.6011 172.6287 124 A 5.1533 9.2181 123.3906 50.7763 23.6753 174.5778 125 A 5.0023 8.8549 120.9415 50.2284 21.7618 176.0901 126 R 4.7700 8.5870 121.2674 55.3186 31.5620 176.1129 127 V 4.5234 8.9645 123.9565 61.0918 34.6201 174.8118 128 Q 4.5739 9.6002 127.3189 55.0094 30.1460 175.7560 129 A 4.2270 8.1744 125.5583 53.9484 18.8597 178.4608 130 G 3.9886 9.8308 111.5496 45.0985 0.0000 173.8523 131 E 4.3256 7.7601 118.9239 56.0281 31.2162 175.8655 132 Q 4.5757 8.4340 121.2571 55.6162 29.3642 175.5032 133 L 4.0528 9.0380 127.4632 57.0891 43.3147 176.3215 134 F 5.4201 7.7974 115.7758 56.0601 43.2376 174.3957 135 T 5.1380 8.9272 116.7763 62.3383 72.9103 172.9922 136 A 5.1189 9.3800 127.8586 50.2473 23.0942 174.5207 137 Y 5.1327 8.6167 116.5533 56.4352 42.0238 174.8106 138 C 5.3006 9.1359 118.1997 57.3686 33.8174 172.6610 139 N 5.1343 8.8350 115.6139 51.9947 39.7012 176.8929 140 V 3.6881 8.6445 120.1898 66.3179 32.0709 177.5453 141 E 4.1161 8.2966 118.9106 59.7404 29.2167 178.6348 142 D 5.0067 7.8230 116.0418 54.8211 41.3966 178.8356 143 A 4.0183 7.8105 124.4703 55.2514 18.3140 180.0109 144 E 4.0169 7.9572 115.8261 58.9209 29.8264 178.7983 145 H 4.2965 7.9218 116.6582 58.3582 28.8851 177.7269 146 V 3.3120 7.3001 119.9333 64.3469 31.2634 178.7007 147 K 3.8839 7.6550 118.7996 58.8327 31.6509 178.6956 148 E 3.9163 7.7236 119.4580 58.5655 29.4598 178.3806 149 A 3.8660 7.5536 120.6041 54.8440 18.2895 179.5730 150 F 4.4025 7.9348 116.5664 60.4632 38.8045 177.9458 151 R 2.7365 7.3163 117.7808 59.1607 30.1087 178.5381 152 R 3.8655 7.5462 117.5332 58.6776 30.0276 178.9057 153 A 3.9966 7.4674 122.2161 55.1716 18.4677 178.7282 154 Y 4.4437 7.6297 111.5889 58.6760 38.1778 176.2645 155 N 4.7686 7.6044 116.1541 54.5326 38.9807 175.7017 156 K 4.6593 8.0548 117.1154 55.5778 32.8232 175.6891 157 I 4.6833 7.4613 111.2786 59.3119 40.0088 175.1472 158 T 3.7339 8.3175 119.4787 66.7929 68.7782 172.6827 159 P 4.4883 0.0000 0.0000 62.4868 32.5846 176.0138 160 S 4.4088 8.1902 114.5708 58.7019 64.2066 173.0540 161 C 5.2794 7.9511 118.0124 58.2723 32.5819 173.3684 162 R 4.5657 9.1121 119.4050 54.6854 32.6604 175.7125 163 I 4.6741 8.4941 124.5682 60.1767 37.6883 173.7917 164 D 4.8239 8.9740 127.7281 52.6035 43.1268 174.8204 165 S 4.9315 8.6341 120.9118 56.7844 63.5091 172.3886 166 S 4.8114 9.2952 128.2916 57.7208 63.1615 175.7738 167 P 4.2230 0.0000 0.0000 64.8606 32.0159 174.1534 168 A 4.9855 8.1198 125.5362 52.2256 19.9759 175.1937 169 G 4.0725 8.6301 108.8589 46.0966 0.0000 172.7370 170 N 4.6544 7.9653 117.3038 51.8567 37.4933 175.1358 171 A 4.3372 7.5679 124.3436 52.2410 19.3650 176.8497 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 K 8.31 4.34 0.00 1.89 1.95 0.00 2.06 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.52 7.81 2 P 0.00 4.27 0.00 2.24 1.96 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 3 A 8.41 4.26 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.22 4.11 0.00 3.99 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 5 M 7.49 3.98 0.00 1.02 1.91 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.32 0.00 6 Y 8.51 4.87 0.00 2.98 2.87 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 7 R 8.02 4.30 0.00 2.01 2.30 0.00 3.12 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 8 D 7.26 5.01 0.00 2.94 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 9 I 7.97 4.26 1.89 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 1.50 0.53 0.93 0.00 0.00 10 D 8.06 5.01 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.67 4.65 0.00 1.73 1.68 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.45 7.81 12 P 0.00 4.40 0.00 2.10 2.04 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 13 A 8.40 4.34 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 14 Y 10.21 4.92 0.00 2.86 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 15 T 7.95 4.40 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 1.28 0.00 0.00 16 R 7.76 4.15 0.00 2.08 2.16 0.00 3.32 0.00 0.00 3.39 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 17 R 8.36 3.93 0.00 1.75 1.91 0.00 3.24 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.51 0.00 18 E 7.80 3.99 0.00 1.41 1.74 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 1.47 1.47 0.00 19 Y 7.60 4.81 0.00 2.96 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 20 I 7.40 4.64 1.78 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.55 0.83 0.00 0.00 21 T 8.29 4.61 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 1.22 0.00 0.00 22 G 8.74 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 23 I 7.75 3.94 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 1.39 0.56 0.87 0.00 0.00 24 P 0.00 4.35 0.00 2.00 2.00 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 25 G 8.29 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 0.00 0.00 0.00 0.00 26 S 8.32 4.22 0.00 3.84 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 27 K 8.72 4.33 0.00 1.77 1.83 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.52 7.81 28 I 7.49 4.12 1.89 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 1.19 0.48 0.74 0.00 0.00 29 A 9.22 4.25 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 30 Q 7.65 4.73 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 31 H 8.91 4.77 0.00 3.15 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.22 5.00 0.00 1.65 1.76 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.53 7.81 33 M 9.44 4.61 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 34 G 8.53 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 0.00 0.00 0.00 35 R 7.94 4.18 0.00 1.87 1.89 0.00 3.14 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 36 K 8.22 4.32 0.00 1.88 1.94 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.46 7.81 37 Q 7.90 4.12 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 38 K 7.45 4.48 0.00 1.70 1.94 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.38 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.51 1.43 7.81 39 D 8.26 4.73 0.00 2.83 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 40 A 8.14 3.68 0.06 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 0.00 0.00 41 D 7.95 4.51 0.00 2.71 2.73 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 42 D 7.93 4.64 0.00 2.60 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.48 4.78 0.00 3.13 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.59 0.00 2.01 2.15 0.00 3.97 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 45 V 8.09 5.36 2.35 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 1.16 0.00 0.00 0.98 0.00 0.00 46 Q 8.69 4.85 0.00 2.32 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.08 0.00 47 I 8.68 5.06 1.82 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 1.24 0.73 1.07 0.00 0.00 48 S 9.30 5.28 0.00 3.74 3.79 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 49 L 8.49 4.76 0.00 0.57 1.22 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.91 4.84 1.86 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 1.10 0.70 0.98 0.00 0.00 51 V 8.51 4.06 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 0.92 0.00 0.00 0.91 0.00 0.00 52 E 8.92 4.26 0.00 1.97 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 2.26 2.31 0.00 53 E 7.88 4.75 0.00 1.88 1.78 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 2.18 2.27 0.00 54 T 8.34 4.43 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 1.26 0.00 0.00 55 V 8.73 4.57 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.97 0.00 0.00 56 Q 8.98 5.08 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 57 L 8.96 4.82 0.00 1.48 1.55 0.89 0.84 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 58 R 8.62 4.41 0.00 1.85 1.81 0.00 2.93 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 59 H 9.14 4.21 0.00 3.34 3.53 0.00 5.27 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 60 G 7.75 3.50 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 0.00 0.00 0.00 61 S 8.29 4.22 0.00 4.04 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 62 L 7.81 3.99 0.00 1.77 1.65 0.81 0.87 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 63 E 8.16 3.91 0.00 2.16 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 2.44 2.38 0.00 64 A 7.75 4.01 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 65 S 8.31 4.05 0.00 4.23 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.61 3.65 0.00 2.24 2.22 0.00 3.27 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 67 L 8.34 3.91 0.00 2.00 1.80 0.99 0.88 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 68 S 8.53 4.17 0.00 4.00 4.12 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 69 A 7.39 4.03 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.42 4.17 0.00 2.83 2.84 0.00 0.00 6.93 7.68 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 71 R 8.31 3.84 0.00 1.97 1.93 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 72 H 7.66 4.09 0.00 3.27 3.34 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.68 3.64 0.00 1.58 0.75 0.37 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.87 4.00 2.03 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 1.53 0.99 0.96 0.00 0.00 75 K 7.90 3.93 0.00 1.71 1.88 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 76 E 8.09 4.20 0.00 1.68 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 77 L 8.03 4.58 0.00 1.78 1.75 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.50 4.06 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 0.00 0.00 0.00 79 E 8.58 4.10 0.00 1.98 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 0.00 2.34 2.37 0.00 80 E 7.90 4.66 0.00 1.89 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 2.20 2.30 0.00 81 G 8.22 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.45 4.66 0.00 2.69 2.73 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 83 Y 7.49 4.90 0.00 3.13 3.07 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 84 K 8.46 4.80 0.00 1.96 1.83 0.00 1.34 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.88 1.48 7.81 85 M 8.96 5.39 0.00 2.30 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.69 0.00 86 T 9.28 5.21 4.41 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 1.40 0.00 0.00 87 L 8.85 4.57 0.00 1.60 1.40 0.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.38 4.32 0.00 1.93 2.08 0.00 3.11 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 89 K 7.62 4.71 0.00 1.58 1.70 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.29 7.81 90 F 8.48 4.75 0.00 2.72 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 91 P 0.00 4.74 0.00 2.16 2.09 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 92 H 8.21 4.45 0.00 3.21 3.38 0.00 5.70 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 93 Q 8.13 4.24 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 94 V 8.81 4.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.82 0.00 0.00 95 L 8.96 4.91 0.00 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7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 115 A 8.64 3.77 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 0.00 116 A 7.76 4.26 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.52 3.81 0.00 2.97 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 0.00 118 G 7.83 3.70 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 0.00 0.00 0.00 119 K 8.32 4.46 0.00 1.91 1.98 0.00 1.34 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.44 7.81 120 I 8.28 4.49 1.92 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 1.52 0.67 0.99 0.00 0.00 121 V 8.73 4.36 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 0.75 0.00 0.00 0.87 0.00 0.00 122 G 7.21 3.90 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 0.00 0.00 0.00 123 T 7.46 5.19 4.39 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 1.14 0.00 0.00 124 A 9.22 5.15 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 0.00 125 A 8.85 5.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.59 4.77 0.00 1.74 1.90 0.00 3.19 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 127 V 8.96 4.52 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 1.03 0.00 0.00 0.89 0.00 0.00 128 Q 9.60 4.57 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 129 A 8.17 4.23 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 0.00 130 G 9.83 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 0.00 0.00 0.00 131 E 7.76 4.33 0.00 2.07 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 2.32 2.39 0.00 132 Q 8.43 4.58 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 133 L 9.04 4.05 0.00 1.61 1.49 0.64 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.80 5.42 0.00 2.48 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 0.00 135 T 8.93 5.14 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 0.76 0.00 0.00 136 A 9.38 5.12 1.05 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 0.00 0.00 137 Y 8.62 5.13 0.00 2.35 2.58 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 0.00 138 C 9.14 5.30 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.84 5.13 0.00 2.76 2.83 0.00 0.00 6.44 7.68 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 0.00 140 V 8.64 3.69 2.10 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 0.81 0.00 0.00 1.04 0.00 0.00 141 E 8.30 4.12 0.00 2.11 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 2.41 2.36 0.00 142 D 7.82 5.01 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.81 4.02 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 0.00 144 E 7.96 4.02 0.00 1.84 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 2.34 2.28 0.00 145 H 7.92 4.30 0.00 3.22 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.30 3.31 1.74 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 0.67 0.00 0.00 0.08 0.00 0.00 147 K 7.65 3.88 0.00 1.85 1.87 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.54 7.81 148 E 7.72 3.92 0.00 2.11 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 2.19 2.09 0.00 149 A 7.55 3.87 1.23 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 0.00 0.00 150 F 7.93 4.40 0.00 3.13 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 0.00 151 R 7.32 2.74 0.00 1.74 1.86 0.00 3.23 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.66 0.00 152 R 7.55 3.87 0.00 1.83 1.82 0.00 3.00 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 153 A 7.47 4.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.63 4.44 0.00 2.93 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 0.00 155 N 7.60 4.77 0.00 2.92 2.91 0.00 0.00 6.76 7.49 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 0.00 156 K 8.05 4.66 0.00 1.73 1.78 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.47 7.81 157 I 7.46 4.68 1.91 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 1.68 0.73 0.98 0.00 0.00 158 T 8.32 3.73 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 1.22 0.00 0.00 159 P 0.00 4.49 0.00 2.15 2.05 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 160 S 8.19 4.41 0.00 3.75 3.79 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 0.00 161 C 7.95 5.28 0.00 2.68 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 0.00 162 R 9.11 4.57 0.00 1.69 1.80 0.00 3.09 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 163 I 8.49 4.67 2.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.79 1.11 0.00 0.00 164 D 8.97 4.82 0.00 2.75 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.63 4.93 0.00 3.94 3.78 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 0.00 166 S 9.30 4.81 0.00 3.97 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 0.00 167 P 0.00 4.22 0.00 2.16 2.09 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 168 A 8.12 4.99 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 0.00 169 G 8.63 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 0.00 170 N 7.97 4.65 0.00 2.73 2.81 0.00 0.00 6.89 7.35 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 0.00 171 A 7.57 4.34 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 * Residues marked with a * may have inaccurate shift predictions.