NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3925 8.3344 115.4150 58.0756 64.1772 172.4591 3 V 4.0473 8.3913 125.9272 61.0517 32.5554 169.6247 4 V 4.4561 9.5808 129.4785 61.1901 34.2215 173.5841 5 I 5.2116 8.4523 128.5308 59.6159 39.2691 174.6884 6 E 4.9073 8.9803 123.2769 54.7221 33.3461 174.7949 7 R 4.1439 8.6566 120.1413 56.2314 30.7901 176.0407 8 I 4.7359 7.7938 115.5954 58.1297 40.8214 173.6816 9 P 4.4469 0.0000 0.0000 62.1200 31.9985 177.5784 10 K 3.9889 8.4376 118.8455 59.8210 32.5339 177.7406 11 E 4.1420 8.1240 116.7011 57.4820 29.5438 176.6605 12 A 4.7245 7.8742 121.0136 51.2808 19.8354 176.2098 13 I 3.8222 7.7424 112.1986 61.5697 38.2888 176.0500 14 P 4.5765 0.0000 0.0000 61.6108 28.8255 176.5933 15 K 3.8475 8.3124 126.6735 60.5348 32.1203 177.7369 16 S 4.0850 8.1346 112.4919 62.1687 62.9704 176.2206 17 L 4.1541 7.8524 124.0049 56.9938 42.0500 178.7068 18 L 4.1524 8.1685 119.1004 57.5898 41.3023 179.1693 19 L 4.8657 7.9231 119.1491 56.3957 41.5988 178.7292 20 L 4.0794 7.6001 119.7205 57.6967 42.1137 177.9970 21 A 4.6813 7.9558 118.6822 52.3524 19.9110 176.2221 22 D 4.6529 8.2904 116.1018 51.9128 42.4908 174.0470 23 P 4.3814 0.0000 0.0000 64.1242 31.9801 176.5452 24 S 4.8808 8.2073 114.1658 56.3725 64.0788 174.7222 25 E 4.0724 8.7586 127.1268 59.1915 29.0544 179.3154 26 R 3.8898 7.8761 118.0102 59.1945 30.5513 178.0041 27 Q 4.1173 8.2374 117.9493 59.1177 28.8184 178.5892 28 I 2.5961 7.5021 119.9243 64.3452 36.8161 178.1631 29 A 3.8803 7.7434 121.3502 55.2226 17.9061 179.5045 30 T 3.8472 7.3436 107.5245 64.9944 68.9398 175.3439 31 Y 4.5927 7.2326 118.6979 57.9104 38.6778 178.0368 32 V 3.7077 7.3700 114.2624 64.2305 31.6920 177.0422 33 Q 4.0890 7.4815 117.7124 58.9973 28.9210 177.6149 34 R 4.2729 8.0031 114.1040 56.7963 30.9745 175.4846 35 G 4.4604 7.7532 104.7726 44.2068 0.0000 171.8577 36 L 4.8576 8.9437 119.5802 53.2050 44.7732 175.9946 37 T 5.0309 8.3019 120.3461 61.9812 71.1193 172.9532 38 Y 4.9295 8.6037 123.7712 56.1047 41.3645 175.1860 39 V 4.9076 8.7926 116.0826 59.5471 35.4810 174.2839 40 A 5.2191 8.8937 125.3422 50.3854 21.2720 176.0631 41 K 5.1839 8.7748 122.1051 54.6441 35.5365 175.4313 42 Q 4.4864 9.1097 118.9419 56.2817 31.6708 174.1413 43 G 3.7125 9.1679 110.4783 46.6279 0.0000 174.0117 44 G 3.9365 9.7628 105.2095 45.1619 0.0000 173.9292 45 S 4.5347 7.3873 112.0515 56.4161 65.5712 173.6206 46 V 4.2221 8.3186 122.0907 63.1951 31.3921 175.4976 47 I 4.5999 8.9727 120.1749 60.5128 39.3352 175.0391 48 G 4.6635 7.8800 109.2871 45.6273 0.0000 172.1322 49 V 5.2007 8.9168 119.4898 60.9473 35.1630 172.2849 50 Y 5.5192 8.7498 118.9845 55.8934 41.8824 173.6152 51 V 4.9373 9.0562 120.8634 61.3340 34.6942 174.0510 52 L 4.9893 9.3655 128.4687 53.3087 43.6889 175.2625 53 L 5.0061 8.6860 125.4458 53.0760 44.8613 175.2228 54 E 4.2965 8.8753 127.5068 57.5368 30.1440 173.7731 55 T 4.1396 9.1298 116.5824 62.0001 69.6883 176.4913 56 R 4.2317 8.8122 118.7994 54.0766 31.9106 173.9498 57 P 4.3556 0.0000 0.0000 64.5608 31.8257 176.5621 58 K 3.8810 8.9475 119.7708 57.4789 29.7834 174.7026 59 T 5.6734 7.3790 114.7962 60.4744 72.0012 172.0799 *61 E 4.5548 8.2918 121.3801 56.3997 30.7678 175.4858 62 I 4.7008 8.4951 127.2834 60.5731 38.4827 174.8891 *64 N 4.5455 8.4628 121.3234 53.7021 40.3036 172.8578 65 I 5.2497 8.3496 124.6202 59.5496 41.3226 173.7920 66 A 4.8297 9.1897 129.7236 50.5833 22.9083 174.9484 67 V 4.8392 8.2822 119.9599 60.4431 34.9366 175.1052 68 A 4.0426 9.0990 128.8331 52.6134 18.8871 178.2262 69 E 3.9075 9.2921 122.1227 59.8996 29.6675 179.2547 70 H 4.3823 8.3238 111.1610 57.2282 28.8226 175.5741 71 L 4.5092 7.3341 118.7164 54.3785 42.2472 176.7258 72 Q 4.0936 7.6771 118.5990 56.6590 29.1195 175.6630 73 G 3.9504 8.5838 106.2570 47.2690 0.0000 174.3928 74 K 4.3842 8.4024 116.0041 55.4221 33.8883 177.2403 75 G 4.1124 8.3004 107.6190 45.3943 0.0000 175.7107 76 I 3.9438 7.9054 121.7988 63.8035 37.1735 178.2251 77 G 3.6253 8.1519 106.2098 47.9685 0.0000 175.4673 78 K 4.0568 8.0435 121.4115 59.1050 32.1297 178.9878 79 K 4.0063 8.0394 118.1213 59.6075 31.9467 179.5228 80 L 4.1573 8.2454 119.4293 57.5325 41.4633 179.5092 81 L 3.7879 8.0854 120.2974 58.2016 42.1821 178.8018 82 R 3.9022 8.0385 118.1820 59.9283 29.9846 178.4602 83 H 4.0883 8.2713 117.3408 58.9991 29.8361 177.0399 84 A 3.5278 7.8259 122.9043 54.9356 18.1070 179.6343 85 V 3.4567 7.7117 116.5991 66.3643 31.6216 178.1245 86 E 3.9375 8.1177 118.1221 59.7030 29.3003 179.5373 87 T 3.8807 8.1673 115.8700 66.5139 68.2468 176.6620 88 A 4.1590 8.0112 121.9170 54.9177 18.7109 179.4849 89 K 4.1208 8.2574 117.2002 59.7409 31.9775 179.4300 90 G 3.8205 7.7828 104.3412 48.2704 0.0000 174.3320 91 Y 4.5222 7.6934 115.0817 57.1692 39.0353 174.4250 92 G 3.5683 8.1530 111.2190 45.6751 0.0000 173.5145 *94 S 4.4689 7.9663 118.4054 57.6370 66.2324 173.4986 95 K 4.7608 8.1044 122.0123 54.5889 35.6705 174.2995 96 L 5.0776 8.5383 128.5711 53.3174 44.9279 174.6552 97 E 5.5256 8.8397 124.6553 54.7929 33.6087 175.1468 98 V 4.4178 8.5098 120.7832 60.2215 34.8658 173.9564 99 G 4.3191 8.2938 110.1840 45.1715 0.0000 172.0616 100 T 4.8037 8.3978 114.5151 60.3082 71.0001 173.6532 101 G 3.8269 8.7387 113.0156 45.9594 0.0000 174.3837 102 N 4.4383 8.6277 119.7517 55.4647 37.3421 176.6356 103 S 4.2240 7.7819 111.6295 60.0346 64.3558 175.2846 104 S 4.4649 7.7221 120.8480 57.6989 59.2060 175.0342 105 V 3.5188 7.3128 123.9483 65.9541 31.9631 176.8992 106 S 4.0399 7.9027 112.5851 61.2970 62.2426 176.0475 107 Q 3.4492 7.7441 120.3717 58.4894 28.3468 178.1095 108 L 3.9098 7.8745 119.9734 57.8674 41.6287 179.5725 109 A 3.9341 7.9304 120.2915 54.9644 18.3322 179.1941 110 L 3.8320 7.6148 118.7961 58.6816 42.1617 178.6499 111 Y 4.5330 7.9144 116.8047 61.5872 37.8500 179.0470 112 Q 4.8377 8.0097 119.9221 58.5388 28.6047 178.7977 113 K 4.0410 8.1981 118.7902 59.3561 32.1518 178.1320 114 C 4.5509 7.7883 114.2962 59.5344 28.4325 174.3114 115 G 4.0053 7.9724 108.7598 44.9562 0.0000 174.4775 116 F 4.5007 8.6108 119.7717 57.3637 40.3296 174.3163 117 R 4.9869 9.1028 123.4084 54.3852 32.7514 174.8441 118 I 4.5504 8.5597 127.4408 61.5335 37.2456 175.6529 119 F 5.0145 8.7648 120.2812 56.5054 39.6023 174.4718 120 S 4.4166 6.9233 112.0199 57.5353 65.7218 173.6556 121 I 4.3766 7.8187 123.4420 59.4141 39.9916 175.0221 122 D 4.5640 8.4230 127.7716 52.9059 40.9166 176.5075 123 F 4.4876 8.5631 123.4957 58.6434 39.9396 175.9361 124 D 4.8373 10.1291 123.4903 55.7872 39.3338 175.2026 125 Y 3.9897 7.7462 122.5760 61.1649 38.5745 178.5509 126 F 4.4611 8.3884 118.4895 60.7236 38.9129 177.8673 127 S 4.2876 8.4122 113.4383 61.6576 62.6824 176.2138 128 K 4.0558 7.8493 120.8550 58.9819 32.0874 177.8389 129 H 4.1740 7.6466 114.1006 55.2200 29.3688 174.8304 130 Y 4.8364 7.3756 117.9043 55.6905 41.3250 174.8998 131 E 4.0573 9.3118 125.5751 58.7976 29.9500 176.4453 132 E 4.5657 7.9477 117.8594 53.9802 31.0678 174.7342 133 E 4.1214 8.7894 126.9657 56.8989 30.6374 175.6461 134 I 4.4479 8.3759 126.6157 59.6777 39.5143 174.3967 135 I 4.9052 8.2889 127.2209 59.4564 40.3018 175.2224 136 E 4.2533 9.0543 126.8966 55.3668 31.4044 174.8867 137 N 3.8870 9.7573 126.2478 54.4438 36.0370 175.8336 138 G 3.9474 8.4106 104.5385 45.4060 0.0000 173.5683 139 I 4.3526 7.2160 121.3601 58.9318 38.9984 175.2231 140 V 3.9031 8.2488 125.3846 62.8568 31.6545 175.3002 141 C 4.2616 8.8175 129.0243 58.9757 30.3794 171.9829 142 R 4.7170 9.7811 127.4691 57.0869 32.6740 174.3963 143 D 5.3650 7.9785 117.9774 54.4299 44.9946 176.8503 *145 I 4.1088 8.2865 126.3637 62.2674 38.8839 174.0862 146 R 4.6952 8.7755 126.0981 54.4286 32.1881 175.4380 147 L 5.5698 8.8255 122.4527 53.5186 46.3583 175.8955 148 A 5.4906 8.8871 121.0860 50.8499 22.8226 174.1369 *150 E 4.2835 8.6465 113.9706 56.9898 30.0503 176.0711 151 L 4.1985 9.0689 124.6708 57.7760 43.1132 176.7204 152 N 4.2524 8.3212 118.9228 53.3576 38.3687 174.2467 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 8.33 4.39 0.00 4.01 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 3 V 8.39 4.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.97 0.00 0.00 4 V 9.58 4.46 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 0.96 0.00 0.00 0.95 0.00 0.00 5 I 8.45 5.21 1.86 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 1.44 0.81 0.85 0.00 0.00 6 E 8.98 4.91 0.00 2.02 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 2.21 2.29 0.00 7 R 8.66 4.14 0.00 1.62 1.67 0.00 2.93 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.48 0.00 8 I 7.79 4.74 1.81 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 1.18 0.64 0.86 0.00 0.00 9 P 0.00 4.45 0.00 2.49 2.18 0.00 3.65 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 2.03 1.92 0.00 10 K 8.44 3.99 0.00 1.86 1.97 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.44 7.81 11 E 8.12 4.14 0.00 1.94 2.02 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 2.30 2.35 0.00 12 A 7.87 4.72 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 13 I 7.74 3.82 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.62 0.95 0.00 0.00 14 P 0.00 4.58 0.00 2.30 2.26 0.00 3.72 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 2.08 2.05 0.00 15 K 8.31 3.85 0.00 1.82 1.93 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.51 7.81 16 S 8.13 4.08 0.00 4.03 4.05 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 17 L 7.85 4.15 0.00 1.81 1.73 0.97 0.60 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 18 L 8.17 4.15 0.00 1.94 1.80 1.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.92 4.87 0.00 1.89 1.76 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.60 4.08 0.00 1.70 1.90 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.96 4.68 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 22 D 8.29 4.65 0.00 2.87 2.83 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 23 P 0.00 4.38 0.00 1.96 2.04 0.00 3.34 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.93 0.00 24 S 8.21 4.88 0.00 4.02 4.04 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 25 E 8.76 4.07 0.00 2.06 1.97 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 2.40 2.38 0.00 26 R 7.88 3.89 0.00 1.79 1.93 0.00 3.22 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 27 Q 8.24 4.12 0.00 2.43 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.49 0.00 0.00 0.00 0.00 0.00 2.39 2.80 0.00 28 I 7.50 2.60 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 1.51 0.83 0.77 0.00 0.00 29 A 7.74 3.88 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 30 T 7.34 3.85 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 1.28 0.00 0.00 31 Y 7.23 4.59 0.00 3.23 3.25 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 32 V 7.37 3.71 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 0.74 0.00 0.00 0.90 0.00 0.00 33 Q 7.48 4.09 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 34 R 8.00 4.27 0.00 1.89 1.99 0.00 3.23 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 35 G 7.75 4.46 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 0.00 36 L 8.94 4.86 0.00 1.77 1.58 0.62 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.30 5.03 4.14 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 0.00 0.00 0.00 1.23 0.00 0.00 38 Y 8.60 4.93 0.00 1.61 2.50 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 39 V 8.79 4.91 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 0.77 0.00 0.00 0.91 0.00 0.00 40 A 8.89 5.22 1.26 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 0.00 0.00 0.00 41 K 8.77 5.18 0.00 1.65 1.69 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.35 7.81 42 Q 9.11 4.49 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.32 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 43 G 9.17 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 44 G 9.76 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 0.00 0.00 0.00 45 S 7.39 4.53 0.00 3.98 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 46 V 8.32 4.22 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 0.85 0.00 0.00 0.93 0.00 0.00 47 I 8.97 4.60 1.87 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 1.17 0.77 0.94 0.00 0.00 48 G 7.88 4.66 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 49 V 8.92 5.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.01 0.00 0.00 50 Y 8.75 5.52 0.00 3.14 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 51 V 9.06 4.94 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 1.19 0.00 0.00 1.13 0.00 0.00 52 L 9.37 4.99 0.00 1.82 1.65 1.06 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.69 5.01 0.00 1.59 1.48 0.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.88 4.30 0.00 1.96 1.82 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 2.26 2.37 0.00 55 T 9.13 4.14 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 1.24 0.00 0.00 56 R 8.81 4.23 0.00 1.89 1.90 0.00 3.14 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 57 P 0.00 4.36 0.00 2.03 2.02 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 58 K 8.95 3.88 0.00 1.93 1.87 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.38 7.81 59 T 7.38 5.67 4.38 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 1.20 0.00 0.00 *61 E 8.29 4.55 0.00 2.06 1.81 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 2.16 2.36 0.00 62 I 8.50 4.70 1.61 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.49 0.84 0.00 0.00 *64 N 8.46 4.55 0.00 2.90 2.89 0.00 0.00 6.26 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 65 I 8.35 5.25 1.94 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 1.38 1.35 1.00 0.00 0.00 66 A 9.19 4.83 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 67 V 8.28 4.84 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 0.83 0.00 0.00 0.96 0.00 0.00 68 A 9.10 4.04 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 69 E 9.29 3.91 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 70 H 8.32 4.38 0.00 3.27 3.41 0.00 5.49 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.33 4.51 0.00 1.66 1.64 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.68 4.09 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 73 G 8.58 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 0.00 0.00 0.00 74 K 8.40 4.38 0.00 1.86 1.80 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.31 1.37 7.81 75 G 8.30 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 0.00 0.00 0.00 76 I 7.91 3.94 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.62 0.94 0.00 0.00 77 G 8.15 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 78 K 8.04 4.06 0.00 1.87 1.92 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.54 7.81 79 K 8.04 4.01 0.00 2.03 1.90 0.00 1.85 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.51 7.81 80 L 8.25 4.16 0.00 1.91 1.86 1.12 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.09 3.79 0.00 2.13 1.80 0.84 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.04 3.90 0.00 2.08 2.00 0.00 3.18 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 83 H 8.27 4.09 0.00 3.39 3.53 0.00 5.60 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 84 A 7.83 3.53 0.71 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 85 V 7.71 3.46 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 0.93 0.00 0.00 0.91 0.00 0.00 86 E 8.12 3.94 0.00 1.93 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 2.44 2.45 0.00 87 T 8.17 3.88 4.35 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 1.36 0.00 0.00 88 A 8.01 4.16 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 89 K 8.26 4.12 0.00 1.95 1.85 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.57 7.81 90 G 7.78 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 0.00 0.00 0.00 91 Y 7.69 4.52 0.00 3.03 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 92 G 8.15 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *94 S 7.97 4.47 0.00 3.91 4.15 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 95 K 8.10 4.76 0.00 1.77 1.58 0.00 1.47 0.00 0.00 1.47 0.00 0.00 2.60 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.26 7.81 96 L 8.54 5.08 0.00 1.75 1.40 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.84 5.53 0.00 1.95 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 2.35 2.29 0.00 98 V 8.51 4.42 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 -0.92 0.00 0.00 0.18 0.00 0.00 99 G 8.29 4.32 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 0.00 100 T 8.40 4.80 4.50 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 1.26 0.00 0.00 101 G 8.74 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 0.00 102 N 8.63 4.44 0.00 2.86 2.98 0.00 0.00 6.96 7.70 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 0.00 103 S 7.78 4.22 0.00 4.08 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 0.00 104 S 7.72 4.46 0.00 3.91 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 0.00 105 V 7.31 3.52 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 0.99 0.00 0.00 0.89 0.00 0.00 106 S 7.90 4.04 0.00 3.86 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 0.00 107 Q 7.74 3.45 0.00 1.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.62 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 108 L 7.87 3.91 0.00 1.83 1.71 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.93 3.93 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 0.00 110 L 7.61 3.83 0.00 1.74 1.51 0.92 0.96 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 0.00 111 Y 7.91 4.53 0.00 2.93 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 0.00 112 Q 8.01 4.84 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 113 K 8.20 4.04 0.00 1.94 1.91 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.70 7.81 114 C 7.79 4.55 0.00 3.37 3.10 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 0.00 115 G 7.97 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 F 8.61 4.50 0.00 3.20 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 0.00 117 R 9.10 4.99 0.00 1.87 1.81 0.00 3.11 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 118 I 8.56 4.55 1.90 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 1.42 0.71 0.86 0.00 0.00 119 F 8.76 5.01 0.00 2.95 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 0.00 120 S 6.92 4.42 0.00 3.23 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 I 7.82 4.38 1.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.55 0.02 0.00 0.00 122 D 8.42 4.56 0.00 2.46 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 0.00 123 F 8.56 4.49 0.00 3.24 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 0.00 124 D 10.13 4.84 0.00 2.94 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 0.00 125 Y 7.75 3.99 0.00 3.15 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 0.00 126 F 8.39 4.46 0.00 3.44 3.34 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 0.00 127 S 8.41 4.29 0.00 3.92 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 0.00 128 K 7.85 4.06 0.00 1.96 1.69 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.31 1.41 7.81 129 H 7.65 4.17 0.00 2.38 2.30 0.00 5.85 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 0.00 130 Y 7.38 4.84 0.00 3.04 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 0.00 131 E 9.31 4.06 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 132 E 7.95 4.57 0.00 1.98 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 2.23 2.35 0.00 133 E 8.79 4.12 0.00 2.05 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 2.30 2.39 0.00 134 I 8.38 4.45 1.68 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.39 0.73 0.00 0.00 135 I 8.29 4.91 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.92 0.00 0.00 136 E 9.05 4.25 0.00 1.79 1.67 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 2.12 2.19 0.00 137 N 9.76 3.89 0.00 2.85 2.83 0.00 0.00 7.25 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 0.00 138 G 8.41 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 0.00 0.00 0.00 139 I 7.22 4.35 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.85 0.89 0.00 0.00 140 V 8.25 3.90 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 0.77 0.00 0.00 0.93 0.00 0.00 141 C 8.82 4.26 0.00 2.65 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 0.00 142 R 9.78 4.72 0.00 1.86 2.06 0.00 3.19 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 143 D 7.98 5.36 0.00 2.63 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 0.00 0.00 0.00 0.00 *145 I 8.29 4.11 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.01 0.83 0.00 0.00 146 R 8.78 4.70 0.00 0.67 1.21 0.00 2.98 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.36 0.00 147 L 8.83 5.57 0.00 1.66 1.71 1.04 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.89 5.49 1.07 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 *150 E 8.65 4.28 0.00 1.81 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 2.15 2.27 0.00 151 L 9.07 4.20 0.00 1.42 1.65 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.32 4.25 0.00 2.73 3.00 0.00 0.00 6.73 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 * Residues marked with a * may have inaccurate shift predictions.