NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0028 8.3549 109.7465 45.8779 0.0000 175.5225 3 T 3.9703 8.9020 122.2632 64.6091 68.2814 173.7948 4 D 4.4156 8.4336 120.7999 56.7329 39.2032 178.0557 5 K 3.7291 8.2238 119.3238 58.6089 31.9039 177.3069 6 F 4.6253 8.1793 115.5025 57.1377 39.4867 177.0983 7 N 4.5658 8.3857 117.2510 55.6770 38.5225 175.2321 8 N 5.1077 7.3925 112.0768 52.7262 39.6761 174.5331 9 I 4.0919 7.8596 117.2926 60.0410 39.3133 175.0992 10 K 4.2112 8.4594 124.6827 57.1749 33.8823 175.7060 11 I 4.5706 8.3556 124.1206 60.5819 38.0805 174.6804 12 D 5.0969 8.9640 127.7178 52.1199 44.0708 176.5373 13 K 4.4295 8.5020 121.1716 56.1673 33.1653 177.3264 14 Y 4.1961 9.0131 123.7608 61.2980 38.3319 178.5834 15 E 3.8377 8.2836 117.3449 59.6844 29.6228 178.7644 16 N 4.4747 8.0960 116.0822 56.1820 38.6198 177.5870 17 L 3.8561 7.8285 119.9745 57.3874 41.7027 179.1171 18 I 3.4874 7.1383 120.0644 64.8435 36.8366 177.9264 19 N 4.3409 7.4297 115.1211 55.9612 38.3920 177.2835 20 V 3.7856 7.6121 118.9353 64.2533 32.0814 176.6345 21 L 4.4086 6.8654 117.4930 54.5572 42.3290 176.4711 22 K 4.6909 9.5801 120.8392 54.3222 35.7450 176.2504 23 T 4.2165 8.4400 118.6268 65.6331 68.6879 174.6354 24 G 4.0324 9.1401 115.0447 45.0510 0.0000 173.6877 25 D 4.6860 8.1962 119.8620 54.7206 42.3967 175.3198 26 I 4.9397 8.7143 122.4367 59.8795 39.3505 174.7129 27 F 5.2471 9.4398 130.2373 57.4575 41.1019 174.4049 28 L 5.0733 8.2030 123.9932 53.2776 45.9330 175.2533 29 C 5.1700 9.0640 119.0017 58.3190 33.4214 173.1940 30 S 4.7616 9.2751 115.9973 56.5821 63.1981 173.3683 31 G 4.3972 9.4260 113.4423 44.2088 0.0000 170.9330 32 N 4.8241 7.8204 116.4594 52.9354 39.1858 175.9433 33 Y 4.2771 7.1540 116.8745 57.2630 40.0071 176.4268 34 L 3.9895 8.5935 122.3490 58.3719 41.8775 180.1115 35 V 3.6708 7.9390 117.3496 66.1044 31.3530 177.9445 36 S 4.2513 8.1517 114.3890 61.7604 62.7041 176.7511 37 K 3.9992 8.3812 121.2952 59.2003 31.7516 179.2200 38 L 3.9454 8.1448 120.7716 58.1784 42.1489 179.1008 39 I 3.5889 7.8681 119.7278 64.3800 37.0597 178.6409 40 K 3.9194 8.3121 119.7289 59.0935 31.7926 179.3194 41 K 3.8299 8.3039 120.4249 59.5812 32.0445 179.2043 42 V 3.6225 7.7010 117.8742 65.0209 31.5281 177.1084 43 S 4.2900 7.3013 110.8226 56.6366 64.7292 173.5767 44 E 3.8373 7.6830 121.2516 57.1079 27.8731 173.0785 45 S 3.9505 7.7847 120.4715 57.3272 65.4801 174.6321 *47 F 4.6447 8.6181 118.1762 57.2970 39.4042 174.4118 48 S 4.8120 8.9378 120.1795 58.9569 64.5670 173.7940 49 H 5.0675 8.0090 119.5332 55.2462 33.2510 171.7030 50 T 5.4848 7.2945 117.3403 59.8553 71.2962 171.9661 51 G 4.2650 8.0492 109.7605 46.1530 0.0000 171.8639 52 I 5.1934 8.5709 120.3496 59.4054 39.6546 175.9918 53 I 4.2851 8.9735 128.3379 60.9925 38.7210 175.1878 54 V 4.5916 8.9744 126.0664 61.1059 34.5507 174.4168 55 K 4.7124 9.2525 131.5995 55.8402 32.6809 178.1041 *56 W 4.3838 9.2189 128.7733 55.3063 28.7459 175.6996 57 G 4.1283 8.5917 120.8649 46.9088 0.0000 174.9567 58 E 4.2765 9.2364 121.2610 56.6501 30.6216 177.1236 59 H 4.7011 8.4203 115.3381 55.9647 30.1184 174.1644 60 T 4.8161 8.4435 118.9899 62.0473 70.7691 173.3771 61 L 5.1855 8.9678 126.6845 53.1146 45.5367 175.3877 62 I 4.7633 8.6454 121.0900 59.0821 41.8633 173.8793 *64 E 4.2676 8.4677 118.9478 56.1627 30.1643 174.3640 65 S 4.7767 8.1504 114.1290 56.6943 63.5535 172.9040 66 V 4.7016 8.4669 128.3733 61.0421 32.4763 176.4280 67 E 4.1724 9.1266 127.5401 58.9254 29.5845 177.2272 68 D 4.8954 8.0835 116.5640 52.8273 39.2343 176.1236 69 D 4.5856 7.8962 118.6054 53.0144 46.2717 176.9097 70 G 3.1322 7.2536 105.5603 45.1263 0.0000 171.3334 71 V 4.1958 6.8536 119.3859 62.0010 31.4753 174.7961 72 R 4.9021 8.5994 123.8433 54.0526 32.9331 174.5137 73 I 4.7966 8.1640 119.0332 59.4420 40.4004 174.6615 74 V 4.5815 8.6978 121.1019 59.0732 37.0356 172.6944 75 P 4.7117 0.0000 0.0000 62.2023 32.0288 177.6187 76 L 3.9644 8.7193 124.3929 58.4913 41.8769 179.0743 77 E 3.6976 8.4895 117.9362 60.0311 29.2957 179.0268 78 H 4.2180 8.3431 115.9710 59.2220 28.6868 177.4236 79 Y 4.2098 8.5048 118.3683 60.7525 37.3852 178.4097 80 I 3.9339 7.5608 119.5359 62.8993 37.6907 176.4957 81 K 4.4496 7.9891 116.5973 56.8476 34.8058 177.1735 82 N 5.0727 8.0526 117.2420 52.8215 40.0298 171.8532 83 Y 4.1093 9.5350 123.8835 56.7605 40.2963 175.0090 84 E 3.4278 8.7454 128.9763 57.4555 27.8804 173.9715 85 N 4.2559 7.7708 109.2077 54.3508 36.5524 175.9616 86 S 4.3293 8.0147 112.7024 58.2486 63.6734 174.1737 87 N 4.2872 8.7958 117.4819 54.1087 36.7146 173.0924 88 N 5.1977 7.7671 114.1315 51.1294 43.5476 174.0081 89 R 4.5218 8.6138 120.5449 56.3816 31.1694 175.5009 90 Y 3.9578 8.9960 125.8731 58.6074 40.0186 175.5855 91 N 4.6377 8.9472 126.2433 52.0234 37.9931 174.4014 92 G 4.3111 7.2942 109.5090 46.0081 0.0000 168.2472 93 S 5.0398 8.1922 113.9921 56.5319 66.2588 173.2795 94 L 4.9896 7.6547 119.3548 53.0962 45.6563 175.5727 95 F 5.4364 9.1003 120.4032 55.9808 44.1261 173.5224 96 I 5.2922 9.4629 120.8745 59.7603 40.6453 174.6935 97 A 5.3204 9.1756 126.7675 50.2560 23.4347 174.4747 98 R 4.8701 8.8502 118.0846 54.9980 33.7916 173.9628 99 H 4.7673 8.9842 125.5126 55.4952 31.1644 175.2518 100 E 3.9764 9.2527 128.3037 59.4791 29.6446 179.1367 101 L 4.0163 8.2955 116.7506 57.5904 41.7298 177.7977 102 L 4.5356 7.6559 116.1006 54.5611 41.7082 177.5909 103 Q 4.1729 8.1460 119.3928 58.4210 28.9627 176.6733 104 N 4.9900 7.8845 115.5927 52.3245 39.0651 175.0568 105 V 4.3726 7.4280 116.6346 60.9318 34.8683 174.3199 106 N 4.6229 8.7113 126.6842 52.8309 38.1907 176.3950 107 D 4.5603 8.6891 118.5610 55.4957 39.9220 177.8963 108 D 4.9542 7.7140 115.7837 53.3644 39.9509 176.1598 109 S 4.2804 8.1037 115.0558 59.0191 63.0182 173.7917 110 E 4.4541 8.3382 121.3358 56.5919 29.3493 178.5925 *112 I 3.9140 8.0564 122.1051 61.5928 39.5227 178.9802 113 R 3.8579 7.7021 121.3708 61.7176 29.1622 180.8925 114 N 4.4910 8.3626 117.8564 55.5397 38.5959 177.4274 115 L 3.6575 7.6036 121.4140 58.2180 42.1875 179.0168 116 I 3.2698 7.4639 119.6614 63.7786 36.8227 178.1075 117 K 3.7590 7.8534 120.6123 59.7020 31.7431 178.9709 118 V 3.6504 7.4222 116.9168 65.8166 31.8565 177.8960 119 G 3.8561 7.8062 105.1449 47.9651 0.0000 175.5990 120 F 4.6056 8.5591 121.2658 60.4367 38.7191 177.9262 121 S 4.3200 8.3631 112.8402 60.5939 62.8314 175.4619 122 L 4.5903 7.5205 119.9895 53.5271 42.3776 176.6955 123 L 4.1983 7.4603 120.1878 54.7363 42.1038 176.0074 124 N 5.1917 8.2807 120.1552 51.4471 40.0820 174.1019 125 S 4.6197 8.5773 112.0827 58.3809 63.5288 175.4581 126 G 3.9183 8.3288 105.5517 45.8543 0.0000 173.5310 127 Y 4.7133 8.4256 118.9503 56.9073 39.1686 176.2708 128 D 4.7566 9.5216 124.0522 52.4880 42.1404 177.8141 129 K 3.8893 8.5437 119.0169 59.7797 32.0171 178.8547 130 N 4.2958 8.2395 116.5686 56.9684 38.7735 176.5902 131 E 3.9883 9.1420 120.1966 59.1075 29.4137 179.3708 132 I 3.5279 7.7837 119.7517 64.2929 37.1853 177.9352 133 A 3.9863 7.7759 121.1049 55.6219 18.0747 179.7143 134 Q 3.9005 8.0809 116.1052 59.0796 28.7767 179.1489 135 I 3.6249 7.8079 121.0213 64.4797 37.2398 178.7524 136 V 3.6544 8.1037 119.1076 65.8070 31.2345 177.8540 137 A 4.0117 8.2703 120.7880 55.3246 18.1119 179.7760 138 R 3.8129 8.2545 116.6730 59.2851 30.1617 179.3450 139 I 4.2483 7.9842 119.7652 64.6712 37.0156 178.7254 140 G 3.7160 7.9005 104.8659 47.7187 0.0000 175.0812 141 L 4.3272 8.3502 119.4130 54.4981 41.8207 177.5951 142 G 4.1989 7.6681 106.0769 46.3025 0.0000 173.6005 143 I 3.6734 7.0794 119.8216 60.0534 37.7634 176.5993 144 G 3.6638 7.8364 113.7437 44.4936 0.0000 172.5790 145 R 4.4912 8.1028 117.4561 54.6706 31.4123 176.6254 *146 H 4.2145 8.5054 118.3524 55.2695 28.4568 178.0016 147 E 4.2241 8.8036 120.4848 58.7963 30.0170 178.7881 148 D 4.5195 8.1256 115.2649 56.4836 40.2612 181.9509 149 N 4.2190 7.3312 116.4499 54.4262 38.9666 174.1160 150 N 4.7623 8.6346 123.2676 53.4084 39.3860 174.3878 151 E 4.7778 7.4759 116.9991 54.7720 31.1175 175.4072 152 Y 5.0317 8.6215 121.6396 55.9153 41.0402 175.9593 153 I 4.1076 9.6054 126.2637 61.0301 38.4120 176.5838 154 C 4.2837 10.1194 122.3664 61.3167 29.2887 177.0149 155 S 4.1763 8.1546 116.4719 60.7263 62.5982 176.0195 156 E 4.1149 8.2852 122.4528 59.0304 29.1447 179.1017 157 F 3.8868 8.3287 120.4228 61.3149 39.6715 177.2214 158 V 3.4993 7.8082 117.4376 65.9445 31.1660 177.5609 159 N 4.6224 8.3523 116.8296 56.7219 38.8700 176.6127 160 E 4.0043 8.3183 120.0423 59.6841 29.3501 179.0752 161 C 3.8508 7.4154 115.1596 63.0422 28.5310 176.0659 162 F 4.0337 8.1478 118.6777 60.1366 38.4319 177.5939 163 K 4.0277 8.5429 119.8470 59.5050 31.8091 178.2469 164 K 4.3850 7.7981 115.0596 56.7324 31.9228 177.2563 165 I 4.2930 7.6604 111.8578 60.4082 37.7827 176.4565 166 G 3.8335 8.2066 110.9780 45.5438 0.0000 174.2786 167 V 3.6519 7.5038 121.4948 62.6634 31.3431 175.4978 168 E 4.4404 8.3325 123.6008 54.5580 31.0830 171.8731 169 F 5.0176 7.7587 121.7960 55.9410 41.1154 178.3622 170 L 4.2757 7.9379 126.2395 53.9589 38.2238 173.7349 *176 F 4.9258 7.5439 124.4680 58.1855 40.7147 174.2015 177 I 4.0545 6.6919 123.5828 59.9872 40.5332 174.1497 178 F 5.0583 8.2552 125.3866 54.2619 41.4693 174.7119 179 P 4.1103 0.0000 0.0000 65.9735 30.8559 178.1860 180 E 3.9112 8.3654 117.4021 60.0860 29.1320 178.6915 181 H 4.2383 7.7270 114.0254 58.7479 28.7031 177.7076 182 I 3.2344 7.2492 120.9674 63.9448 36.8183 177.9074 183 A 3.7601 7.5720 120.2891 55.1810 18.2029 179.2941 184 A 4.1205 8.1620 117.7682 53.2408 19.0622 177.6715 185 D 4.3362 7.5034 120.5377 55.3241 41.7091 177.7568 *186 H 4.0917 8.8302 122.8259 57.6218 28.2501 173.1075 187 H 4.6995 8.9323 114.0178 56.3960 28.9273 174.3953 188 V 4.6036 7.5937 120.9486 61.3995 32.3121 174.8082 189 L 4.6376 8.6070 128.8987 52.5012 43.6817 174.7051 190 P 4.4965 0.0000 0.0000 62.9903 31.6868 175.2276 191 I 4.4466 8.8231 122.7286 62.2833 39.1129 175.7333 192 A 4.8373 7.7592 120.8241 51.0313 22.5180 174.4901 193 Q 4.5265 8.7664 121.8347 55.3002 30.9480 174.7367 194 I 4.5773 8.0176 127.0830 60.0436 38.1611 175.5857 195 E 4.1591 9.1917 128.0108 56.6270 29.0631 176.4836 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 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 3 T 8.90 3.97 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 1.18 0.00 0.00 4 D 8.43 4.42 0.00 2.87 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 5 K 8.22 3.73 0.00 1.85 1.96 0.00 1.60 0.00 0.00 1.44 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.10 1.42 7.81 6 F 8.18 4.63 0.00 3.07 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 7 N 8.39 4.57 0.00 2.87 2.92 0.00 0.00 6.70 8.15 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 8 N 7.39 5.11 0.00 2.74 2.79 0.00 0.00 6.99 7.33 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 9 I 7.86 4.09 2.05 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 1.31 0.00 0.00 10 K 8.46 4.21 0.00 1.90 1.95 0.00 1.56 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.51 7.81 11 I 8.36 4.57 1.89 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 1.38 0.88 0.92 0.00 0.00 12 D 8.96 5.10 0.00 2.59 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 13 K 8.50 4.43 0.00 2.02 1.78 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.75 1.45 7.81 14 Y 9.01 4.20 0.00 3.09 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 15 E 8.28 3.84 0.00 1.96 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 2.37 2.57 0.00 16 N 8.10 4.47 0.00 2.93 2.84 0.00 0.00 7.04 6.35 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 17 L 7.83 3.86 0.00 1.74 1.67 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.14 3.49 1.68 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.77 0.80 0.00 0.00 19 N 7.43 4.34 0.00 2.74 2.85 0.00 0.00 7.05 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 20 V 7.61 3.79 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.92 0.00 0.00 21 L 6.87 4.41 0.00 1.80 1.60 0.92 0.90 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 22 K 9.58 4.69 0.00 1.91 1.65 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 23 T 8.44 4.22 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 1.15 0.00 0.00 24 G 9.14 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 25 D 8.20 4.69 0.00 2.73 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 26 I 8.71 4.94 1.93 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 1.24 1.05 0.85 0.00 0.00 27 F 9.44 5.25 0.00 2.92 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 28 L 8.20 5.07 0.00 1.26 1.04 0.09 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 29 C 9.06 5.17 0.00 2.73 2.54 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 30 S 9.28 4.76 0.00 3.70 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 31 G 9.43 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 0.00 0.00 0.00 0.00 32 N 7.82 4.82 0.00 2.32 2.62 0.00 0.00 7.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.15 4.28 0.00 3.01 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 34 L 8.59 3.99 0.00 1.74 1.77 0.95 0.78 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 35 V 7.94 3.67 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 1.17 0.00 0.00 0.99 0.00 0.00 36 S 8.15 4.25 0.00 4.28 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 37 K 8.38 4.00 0.00 1.95 1.84 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.58 7.81 38 L 8.14 3.95 0.00 1.79 1.87 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.87 3.59 2.07 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 1.70 1.17 0.97 0.00 0.00 40 K 8.31 3.92 0.00 1.85 1.88 0.00 1.68 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.67 7.81 41 K 8.30 3.83 0.00 1.76 1.89 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.41 7.81 42 V 7.70 3.62 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 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0.00 0.00 0.00 0.00 0.00 0.00 95 F 9.10 5.44 0.00 2.75 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 96 I 9.46 5.29 2.02 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.17 1.03 0.00 0.00 97 A 9.18 5.32 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 98 R 8.85 4.87 0.00 1.89 1.75 0.00 3.12 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 99 H 8.98 4.77 0.00 3.31 3.27 0.00 5.74 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 9.25 3.98 0.00 2.19 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 2.32 0.00 101 L 8.30 4.02 0.00 1.66 1.71 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.66 4.54 0.00 1.66 1.71 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.15 4.17 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 7.43 0.00 0.00 0.00 0.00 0.00 2.51 2.34 0.00 104 N 7.88 4.99 0.00 2.71 2.83 0.00 0.00 6.57 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 0.00 105 V 7.43 4.37 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 0.83 0.00 0.00 0.92 0.00 0.00 106 N 8.71 4.62 0.00 2.90 2.92 0.00 0.00 6.36 8.07 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 0.00 107 D 8.69 4.56 0.00 2.72 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 0.00 108 D 7.71 4.95 0.00 2.72 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 0.00 109 S 8.10 4.28 0.00 3.97 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 0.00 110 E 8.34 4.45 0.00 2.01 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 2.33 2.30 0.00 *112 I 8.06 3.91 1.81 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 1.22 0.90 0.89 0.00 0.00 113 R 7.70 3.86 0.00 1.81 1.94 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 114 N 8.36 4.49 0.00 2.61 2.80 0.00 0.00 6.72 7.22 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 0.00 115 L 7.60 3.66 0.00 1.45 1.58 -0.06 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.46 3.27 1.73 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 -0.11 -0.01 0.00 0.00 117 K 7.85 3.76 0.00 1.87 1.94 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 118 V 7.42 3.65 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 0.79 0.00 0.00 0.90 0.00 0.00 119 G 7.81 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 0.00 120 F 8.56 4.61 0.00 3.18 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 0.00 121 S 8.36 4.32 0.00 4.07 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.52 4.59 0.00 1.91 1.84 0.81 1.01 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 0.00 123 L 7.46 4.20 0.00 1.63 1.56 0.85 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 124 N 8.28 5.19 0.00 2.72 2.76 0.00 0.00 6.86 7.80 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 0.00 125 S 8.58 4.62 0.00 3.82 3.85 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 0.00 126 G 8.33 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 0.00 127 Y 8.43 4.71 0.00 2.98 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 0.00 128 D 9.52 4.76 0.00 2.93 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 0.00 129 K 8.54 3.89 0.00 1.83 1.92 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.53 7.81 130 N 8.24 4.30 0.00 2.84 3.05 0.00 0.00 7.19 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 0.00 131 E 9.14 3.99 0.00 2.21 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 2.55 2.54 0.00 132 I 7.78 3.53 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.86 0.93 0.00 0.00 133 A 7.78 3.99 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 0.00 134 Q 8.08 3.90 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 135 I 7.81 3.62 1.86 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 0.91 0.00 0.00 136 V 8.10 3.65 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 1.06 0.00 0.00 0.98 0.00 0.00 137 A 8.27 4.01 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 0.00 138 R 8.25 3.81 0.00 2.02 2.08 0.00 3.26 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 139 I 7.98 4.25 2.22 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 1.83 1.53 1.14 0.00 0.00 140 G 7.90 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.35 4.33 0.00 1.64 1.70 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.67 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 0.00 0.00 0.00 143 I 7.08 3.67 1.67 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 1.11 0.48 0.74 0.00 0.00 144 G 7.84 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 0.00 145 R 8.10 4.49 0.00 1.82 1.85 0.00 2.88 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 *146 H 8.51 4.21 0.00 2.86 2.99 0.00 7.19 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.80 4.22 0.00 1.98 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 2.23 1.88 0.00 148 D 8.13 4.52 0.00 2.69 2.60 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 0.00 149 N 7.33 4.22 0.00 2.64 2.85 0.00 0.00 7.27 7.67 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 0.00 150 N 8.63 4.76 0.00 2.83 3.01 0.00 0.00 7.01 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 7.48 4.78 0.00 1.85 1.64 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 2.22 2.33 0.00 152 Y 8.62 5.03 0.00 3.16 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 0.00 153 I 9.61 4.11 2.03 0.00 0.00 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 1.51 0.79 1.04 0.00 0.00 154 C 10.12 4.28 0.00 3.32 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 0.00 155 S 8.15 4.18 0.00 3.96 4.17 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 0.00 0.00 0.00 156 E 8.29 4.11 0.00 2.53 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 2.43 2.34 0.00 157 F 8.33 3.89 0.00 2.99 3.30 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 0.00 158 V 7.81 3.50 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 1.06 0.00 0.00 1.16 0.00 0.00 159 N 8.35 4.62 0.00 3.08 3.05 0.00 0.00 7.17 7.01 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 0.00 160 E 8.32 4.00 0.00 2.06 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 2.71 2.85 0.00 161 C 7.42 3.85 0.00 2.83 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 0.00 162 F 8.15 4.03 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 0.00 163 K 8.54 4.03 0.00 1.98 2.02 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 164 K 7.80 4.39 0.00 1.98 1.78 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.47 1.31 7.81 165 I 7.66 4.29 1.76 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.60 0.75 0.00 0.00 166 G 8.21 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 167 V 7.50 3.65 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 0.21 0.00 0.00 0.80 0.00 0.00 168 E 8.33 4.44 0.00 2.02 1.71 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 2.18 1.89 0.00 169 F 7.76 5.02 0.00 3.20 2.82 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 0.00 170 L 7.94 4.28 0.00 1.49 1.50 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 *176 F 7.54 4.93 0.00 2.79 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 0.00 177 I 6.69 4.05 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.65 0.82 0.00 0.00 178 F 8.26 5.06 0.00 3.04 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 0.00 179 P 0.00 4.11 0.00 2.36 2.07 0.00 3.85 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 2.12 2.21 0.00 180 E 8.37 3.91 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 181 H 7.73 4.24 0.00 3.18 3.40 0.00 5.90 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 I 7.25 3.23 1.57 0.00 0.00 0.50 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 0.17 0.33 0.00 0.00 183 A 7.57 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 A 8.16 4.12 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 0.00 185 D 7.50 4.34 0.00 2.98 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 *186 H 8.83 4.09 0.00 2.97 2.98 0.00 7.25 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 H 8.93 4.70 0.00 3.14 3.11 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 V 7.59 4.60 2.26 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 0.78 0.00 0.00 1.04 0.00 0.00 189 L 8.61 4.64 0.00 1.60 1.50 0.91 1.05 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 0.00 190 P 0.00 4.50 0.00 1.62 1.04 0.00 3.42 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 1.61 0.97 0.00 191 I 8.82 4.45 2.10 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 1.19 0.64 0.96 0.00 0.00 192 A 7.76 4.84 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 0.00 193 Q 8.77 4.53 0.00 2.27 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.06 1.63 0.00 194 I 8.02 4.58 1.89 0.00 0.00 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 1.23 0.74 1.07 0.00 0.00 195 E 9.19 4.16 0.00 2.06 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 0.00 2.34 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.