NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4474 8.3044 118.1948 55.1522 32.5507 174.4909 1 V 4.2324 7.9617 119.8674 60.8639 34.4078 173.2533 2 L 4.3590 8.3529 127.6319 54.0174 43.6025 176.9383 3 S 4.5430 8.6768 117.5641 57.6805 65.3407 175.1565 4 E 4.2947 8.8335 122.6100 59.4538 29.4783 179.0166 5 G 3.6622 8.1317 105.3331 47.8881 0.0000 175.3595 6 E 3.9275 8.2098 120.9850 58.9682 29.3853 179.4734 7 W 4.3154 8.1382 118.9408 59.9567 29.0413 178.6306 8 Q 4.1816 8.6313 118.2821 58.9436 27.9878 178.7511 9 L 4.1113 8.0052 119.7892 57.4983 41.5688 179.7820 10 V 3.7579 7.8000 118.3609 66.1511 31.6090 178.1789 11 L 4.3074 8.5449 118.6752 57.6610 41.2017 179.1485 12 H 4.1941 8.3745 116.3960 58.5334 28.9980 177.6669 13 V 3.8470 7.8934 121.1216 64.2062 31.4815 178.3130 14 W 3.8262 8.5030 128.9766 60.0464 30.2461 177.7330 15 A 4.0086 7.9317 120.2695 54.9527 18.0356 179.4194 16 K 3.9711 7.7894 117.1246 59.3123 32.1549 179.5583 17 V 2.7424 7.1257 118.0250 65.7531 31.0088 177.4438 18 E 3.9663 7.6848 116.0360 58.0435 29.3320 178.5462 19 A 4.1620 7.5856 120.6565 54.1429 19.5996 177.5846 20 D 4.6664 7.7975 114.9507 52.3085 43.3244 176.0167 21 V 3.4932 7.7000 123.5123 64.4005 31.7415 178.3810 22 A 4.0296 7.9682 121.1302 54.9310 18.3549 179.6745 23 G 3.5692 8.3442 105.5879 47.7783 0.0000 175.7060 24 H 4.1721 8.1988 118.6273 58.3697 28.6006 178.1843 25 G 3.5470 8.3880 107.9447 47.7173 0.0000 175.7669 26 Q 3.8798 8.0374 120.4107 58.8536 28.7902 178.5597 27 D 4.2853 7.8503 119.6671 57.5214 40.8538 179.1875 28 I 3.6646 7.8047 120.1148 64.3501 37.0932 178.5722 29 L 3.4926 7.8341 119.8978 57.6251 41.2787 179.6757 30 I 3.6052 7.6644 119.8756 64.2032 36.9396 178.4939 31 R 3.8030 7.9847 119.7047 58.8438 29.7648 178.4451 32 L 3.8779 7.5603 120.3714 58.2524 42.1912 178.9853 33 F 4.4856 7.7455 117.7867 60.6065 38.5486 177.8916 34 K 4.0680 8.1590 117.5825 59.3758 31.9612 179.2824 35 S 4.3197 8.0282 114.7332 60.1189 64.1579 174.3463 36 H 4.6527 8.1485 118.4860 51.9953 29.3090 171.8762 37 P 4.7368 0.0000 0.0000 64.5006 31.3284 177.4753 38 E 4.4220 8.4784 117.5530 58.7552 29.4903 179.0796 39 T 3.8111 8.1440 111.4073 64.4938 68.8800 176.3781 40 L 3.7948 8.0703 123.1384 57.7697 41.8371 178.6675 41 E 4.1169 8.1387 118.5258 58.8725 29.1283 178.7895 42 K 4.4968 8.0203 116.9962 56.8398 32.5520 176.7737 43 F 4.6336 8.1507 119.3088 55.7131 38.7939 176.3304 44 D 4.4833 8.5468 126.6760 56.8349 41.0248 178.5378 45 R 3.8721 7.8192 117.4335 57.9765 30.3602 177.0665 46 F 4.9627 7.7212 113.6621 56.8969 39.9989 176.7236 47 K 4.1698 8.1710 120.4614 58.6281 32.5440 177.7864 48 H 4.3945 8.0899 114.7443 57.4311 29.0762 175.7076 49 L 4.0745 7.2734 121.1316 55.2071 41.6503 176.9491 50 K 4.2588 9.1335 123.7809 57.6138 33.1927 177.1019 51 T 4.7352 7.3107 107.4465 58.9382 73.1757 174.2785 52 E 3.9288 8.6232 120.7248 59.2459 29.5954 178.4929 53 A 3.9907 7.9384 120.4930 55.2529 18.2840 179.3251 54 E 3.9680 7.9222 115.8622 59.6856 29.8944 179.2178 55 M 4.2021 8.1000 118.8800 58.3652 31.8225 178.9883 56 K 4.0004 8.2924 117.7727 58.8878 32.2998 178.3753 57 A 4.5104 7.6896 118.3779 51.3849 19.2044 177.0159 58 S 4.3466 7.5558 113.9670 57.2187 62.5998 174.4654 59 E 4.0310 8.8216 129.5007 59.3046 29.4231 178.2731 60 D 4.4794 8.1495 118.8314 57.1208 40.9830 178.1429 61 L 3.1796 8.0149 120.9574 57.6783 42.0577 178.8678 62 K 3.8219 7.8828 119.3286 59.6604 32.2556 178.9695 63 K 4.0614 8.2713 118.6293 59.5029 31.7906 178.9633 64 H 4.3723 8.4969 119.0245 59.1852 29.7707 177.3579 65 G 3.6406 8.2175 107.7362 48.0403 0.0000 175.7485 66 V 3.6143 7.7917 120.2364 65.9126 31.5079 178.3922 67 T 3.9044 7.7701 115.4599 66.4536 68.3339 176.8411 68 V 3.5675 7.9647 120.3829 66.2387 31.5996 178.2135 69 L 4.2723 8.2069 118.7137 58.0179 41.4193 179.7106 70 T 4.0479 8.2008 115.8293 66.4733 68.4629 176.7046 71 A 4.0308 8.0800 122.8772 54.8997 18.2916 179.4989 72 L 3.7376 8.0978 119.1601 58.0214 42.1312 179.3459 73 G 3.1747 8.4552 105.9246 47.6840 0.0000 175.4820 74 A 3.9860 7.7688 122.1089 54.8820 18.6160 179.5340 75 I 3.8181 7.4132 117.9770 64.4186 37.1438 178.6379 76 L 4.0277 7.9119 120.1802 57.5704 41.1852 179.5697 77 K 3.9369 7.8142 117.2768 58.5851 32.2779 178.7780 78 K 3.9515 7.8550 118.0405 56.0797 32.4885 176.6639 79 K 2.0000 8.3011 118.4149 56.4035 29.9587 174.5683 80 G 4.0339 7.8164 105.6941 46.1751 0.0000 174.3565 81 H 4.7650 7.4560 118.4503 54.9928 27.3022 174.8438 82 H 5.5581 7.1633 111.5934 54.3766 29.6554 177.0918 83 E 3.9784 8.5639 121.4069 60.5466 29.0467 178.7499 84 A 4.0301 7.9004 118.6632 55.2741 18.5444 179.0884 85 E 4.0884 8.1507 116.6282 59.4496 29.5224 179.2764 86 L 4.0879 8.2507 118.8801 57.1345 41.6686 179.1188 87 K 3.9556 7.8094 119.2386 59.1342 32.0562 177.2935 88 P 4.3044 0.0000 0.0000 65.7924 31.2533 178.1554 89 L 4.0039 7.5906 119.7535 58.0259 42.0733 178.8846 90 A 4.2330 8.3832 121.0568 55.1483 18.2888 179.4641 91 Q 3.9322 8.2960 118.5202 59.3847 29.1105 178.5357 92 S 4.1226 8.2942 115.3111 61.5290 63.0923 175.9236 93 H 4.2336 8.7400 119.2735 57.7392 28.3406 177.2294 94 A 3.0036 8.0011 121.9920 53.8480 18.8152 178.7424 95 T 3.9880 7.5149 112.4847 64.6316 69.5079 176.0647 96 K 4.0906 7.4683 119.7758 58.8148 32.9058 177.2707 97 H 4.2273 7.9451 114.6569 56.2816 29.3145 175.0339 98 K 3.2649 7.5352 118.9433 56.7643 29.3116 174.0507 99 I 4.4426 8.0967 120.2593 58.5208 39.1231 174.7667 100 P 4.4583 0.0000 0.0000 62.1997 32.1776 177.3124 101 I 3.6908 8.1168 121.0710 64.6965 36.9297 178.7134 102 K 3.9550 7.8149 121.0924 59.0008 31.9511 178.2169 103 Y 4.1947 8.0094 117.1151 60.6976 37.8293 177.8923 104 L 4.2692 7.9137 119.5844 57.5653 41.2355 179.1565 105 E 4.0484 8.3262 119.1538 59.2940 29.3761 179.2301 106 F 4.5459 7.8884 117.8922 60.8433 38.9161 177.6506 107 I 3.8782 8.1624 118.1245 64.0433 37.7666 178.1083 108 S 4.2109 8.3266 116.4475 61.4796 62.6506 176.1859 109 E 4.0577 8.5252 121.9790 59.1203 29.3888 178.7990 110 A 4.0427 8.1160 121.0271 55.0512 18.4700 179.5904 111 I 3.6883 8.1342 118.6810 64.7664 37.1595 178.7721 112 I 3.8652 7.9642 120.5518 64.5191 37.0379 178.0013 113 H 4.1130 8.4131 119.1607 59.3320 29.6546 177.5801 114 V 3.5593 7.9161 120.0130 65.9652 31.2693 178.0369 115 L 3.7474 7.8495 118.8126 57.8279 41.0500 178.9157 116 H 4.4392 8.2133 117.9190 59.0461 29.8466 176.8868 117 S 4.3161 7.7301 114.6709 60.5703 63.4379 176.1397 118 R 4.0854 7.9634 120.5958 57.1925 31.5953 176.4141 119 H 4.9953 8.2002 115.3672 53.4623 29.2515 172.5630 120 P 4.3662 0.0000 0.0000 65.4916 31.9110 179.7852 121 G 3.6602 8.1191 106.9978 47.6812 0.0000 173.6939 122 N 5.0896 8.3739 114.2461 52.6993 40.3073 174.1295 123 F 5.0280 7.8639 119.1728 56.9802 39.9659 175.6185 124 G 3.8777 7.7736 108.4273 44.2147 0.0000 172.2076 125 A 3.8825 8.4231 120.8131 55.4649 18.4960 179.8571 126 D 4.1917 7.9618 116.6783 57.3766 40.9163 178.7429 127 A 3.9144 7.7500 120.8283 55.1236 18.3672 179.3029 128 Q 2.8451 7.8471 118.5339 58.7521 28.9719 178.6780 129 G 3.4874 8.0928 106.7073 47.5688 0.0000 175.5802 130 A 3.8371 7.9807 123.1597 55.0347 18.3305 179.3764 131 M 3.9670 8.1375 116.8089 58.8302 32.2855 177.8086 132 N 4.2910 8.4757 117.5551 56.6114 39.0965 176.6471 133 K 3.8251 8.1566 120.7304 59.4853 32.3035 178.6537 134 A 3.8659 8.0169 121.1635 55.1329 18.1952 179.6306 135 L 4.1684 8.3244 117.7153 57.7511 41.6021 179.5257 136 E 3.9955 8.5866 119.2430 59.1001 29.2827 179.0521 137 L 3.9523 8.1018 120.5196 58.0523 42.1280 178.6736 138 F 4.1430 8.4090 120.6094 61.5673 39.2260 177.3899 139 R 3.3906 8.2594 117.7377 58.6795 29.8076 178.9087 140 K 3.8037 8.1815 119.7034 59.7535 32.2424 178.7034 141 D 4.3332 8.2056 119.2324 57.3010 40.6336 178.8843 142 I 3.4182 7.6185 120.4449 64.0043 36.9325 178.3223 143 A 3.7711 7.8812 121.6542 54.9492 18.1675 179.5560 144 A 3.9536 7.8831 119.3384 55.1283 18.3972 180.1062 145 K 3.9470 8.0063 117.0965 59.7308 32.0619 178.8794 146 Y 4.5034 8.3487 117.5711 61.3824 37.8793 178.9309 147 K 3.9448 8.1940 120.1526 59.7259 32.0879 178.7176 148 E 4.0709 7.9950 117.6362 58.9404 29.4538 178.5182 149 L 4.3836 7.9308 117.1179 55.1289 41.9654 177.5746 150 G 4.0064 8.1249 107.3530 45.6908 0.0000 172.9696 151 Y 4.4806 8.5452 119.4222 59.2968 40.3868 177.7148 152 Q 3.0957 8.0859 116.8748 56.6204 28.1677 173.8188 153 G 2.8304 5.4189 111.1439 44.9242 0.0000 174.3834 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 0 M 8.30 4.45 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 1 V 7.96 4.23 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 0.88 0.00 0.00 0.95 0.00 0.00 2 L 8.35 4.36 0.00 1.10 0.77 0.61 -0.29 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 3 S 8.68 4.54 0.00 4.07 3.98 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 4 E 8.83 4.29 0.00 2.20 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 2.44 2.53 0.00 5 G 8.13 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 6 E 8.21 3.93 0.00 1.94 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 2.21 2.26 0.00 7 W 8.14 4.32 0.00 3.56 3.19 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 8 Q 8.63 4.18 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 9 L 8.01 4.11 0.00 1.91 1.75 0.89 0.57 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 10 V 7.80 3.76 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 1.19 0.00 0.00 0.92 0.00 0.00 11 L 8.54 4.31 0.00 1.80 1.76 0.96 1.11 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 12 H 8.37 4.19 0.00 3.33 3.44 0.00 5.65 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.89 3.85 2.46 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 1.09 0.00 0.00 0.88 0.00 0.00 14 W 8.50 3.83 0.00 3.67 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 15 A 7.93 4.01 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 16 K 7.79 3.97 0.00 1.49 1.63 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.56 1.48 7.81 17 V 7.13 2.74 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 0.00 0.00 0.04 0.00 0.00 0.25 0.00 0.00 18 E 7.68 3.97 0.00 2.03 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 2.26 2.25 0.00 19 A 7.59 4.16 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 20 D 7.80 4.67 0.00 2.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.70 3.49 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 0.86 0.00 0.00 0.89 0.00 0.00 22 A 7.97 4.03 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 23 G 8.34 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 24 H 8.20 4.17 0.00 3.23 3.20 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 8.39 3.55 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 0.00 0.00 0.00 26 Q 8.04 3.88 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 27 D 7.85 4.29 0.00 2.86 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 28 I 7.80 3.66 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 1.50 0.71 0.88 0.00 0.00 29 L 7.83 3.49 0.00 1.32 0.89 0.74 0.51 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 30 I 7.66 3.61 1.86 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 1.39 0.59 0.88 0.00 0.00 31 R 7.98 3.80 0.00 1.86 2.04 0.00 3.01 0.00 0.00 2.98 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 32 L 7.56 3.88 0.00 1.76 1.43 1.06 0.99 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 7.75 4.49 0.00 3.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 4.07 0.00 1.76 1.83 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.47 1.50 7.81 35 S 8.03 4.32 0.00 3.74 3.58 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 36 H 8.15 4.65 0.00 2.93 2.69 0.00 5.63 0.00 0.00 0.00 0.00 6.85 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 4.74 0.00 2.15 2.11 0.00 3.81 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 2.09 1.99 0.00 38 E 8.48 4.42 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 2.30 2.44 0.00 39 T 8.14 3.81 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 0.87 0.00 0.00 40 L 8.07 3.79 0.00 1.29 1.72 -0.18 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.14 4.12 0.00 2.32 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 2.37 2.39 0.00 42 K 8.02 4.50 0.00 1.85 1.68 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.72 1.98 7.81 43 F 8.15 4.63 0.00 3.30 3.21 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 44 D 8.55 4.48 0.00 2.63 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 45 R 7.82 3.87 0.00 0.88 0.67 0.00 3.02 0.00 0.00 2.81 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.00 46 F 7.72 4.96 0.00 2.90 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 8.17 4.17 0.00 1.88 2.22 0.00 1.62 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.41 7.81 48 H 8.09 4.39 0.00 3.30 3.47 0.00 5.54 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 49 L 7.27 4.07 0.00 1.55 1.60 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.13 4.26 0.00 1.72 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.49 7.81 51 T 7.31 4.74 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 1.21 0.00 0.00 52 E 8.62 3.93 0.00 2.05 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 2.36 0.00 53 A 7.94 3.99 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 54 E 7.92 3.97 0.00 2.14 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 2.35 2.35 0.00 55 M 8.10 4.20 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.62 0.00 56 K 8.29 4.00 0.00 1.82 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.66 7.81 57 A 7.69 4.51 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 58 S 7.56 4.35 0.00 3.96 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.82 4.03 0.00 2.14 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 2.49 0.00 60 D 8.15 4.48 0.00 3.06 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 8.01 3.18 0.00 1.32 1.61 0.04 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.88 3.82 0.00 1.87 1.97 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.27 4.06 0.00 2.05 1.91 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.76 7.81 64 H 8.50 4.37 0.00 3.58 3.38 0.00 5.80 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 65 G 8.22 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 66 V 7.79 3.61 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 1.04 0.00 0.00 0.96 0.00 0.00 67 T 7.77 3.90 4.42 0.00 0.00 0.00 0.00 0.00 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 68 V 7.96 3.57 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 1.09 0.00 0.00 0.96 0.00 0.00 69 L 8.21 4.27 0.00 1.80 1.93 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.20 4.05 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 1.25 0.00 0.00 71 A 8.08 4.03 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 72 L 8.10 3.74 0.00 1.60 1.72 0.30 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.46 3.17 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 0.00 0.00 0.00 74 A 7.77 3.99 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 75 I 7.41 3.82 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 1.53 0.56 0.89 0.00 0.00 76 L 7.91 4.03 0.00 1.40 1.60 -0.09 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.81 3.94 0.00 1.77 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.51 7.81 78 K 7.86 3.95 0.00 1.88 1.75 0.00 1.90 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.76 7.81 79 K 8.30 2.00 0.00 1.24 0.74 0.00 1.50 0.00 0.00 1.43 0.00 0.00 2.75 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.33 0.75 7.81 80 G 7.82 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 81 H 7.46 4.76 0.00 3.14 3.21 0.00 5.80 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 7.16 5.56 0.00 3.27 3.44 0.00 5.65 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 83 E 8.56 3.98 0.00 2.09 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 2.42 2.47 0.00 84 A 7.90 4.03 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 85 E 8.15 4.09 0.00 2.25 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 2.39 2.47 0.00 86 L 8.25 4.09 0.00 1.90 1.71 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.81 3.96 0.00 1.96 1.87 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 88 P 0.00 4.30 0.00 2.30 2.34 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 89 L 7.59 4.00 0.00 1.76 1.77 0.96 1.12 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 90 A 8.38 4.23 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.30 3.93 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 92 S 8.29 4.12 0.00 4.05 4.13 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 93 H 8.74 4.23 0.00 3.64 3.65 0.00 5.80 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 8.00 3.00 1.04 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 0.00 0.00 95 T 7.51 3.99 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 1.12 0.00 0.00 96 K 7.47 4.09 0.00 1.56 1.66 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.35 7.81 97 H 7.95 4.23 0.00 3.01 3.14 0.00 5.85 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 98 K 7.54 3.26 0.00 1.68 1.71 0.00 1.23 0.00 0.00 1.37 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.20 1.31 7.81 99 I 8.10 4.44 2.14 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 1.40 1.15 1.18 0.00 0.00 100 P 0.00 4.46 0.00 1.91 1.97 0.00 3.33 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.48 0.00 101 I 8.12 3.69 1.81 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.87 0.00 0.00 102 K 7.81 3.96 0.00 1.71 1.63 0.00 0.96 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.39 0.75 7.81 103 Y 8.01 4.19 0.00 3.25 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 0.00 104 L 7.91 4.27 0.00 1.90 1.82 0.76 1.21 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 0.00 105 E 8.33 4.05 0.00 1.98 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 2.33 2.41 0.00 106 F 7.89 4.55 0.00 3.22 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 0.00 107 I 8.16 3.88 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 1.10 0.00 0.00 108 S 8.33 4.21 0.00 4.21 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 0.00 109 E 8.53 4.06 0.00 2.18 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 2.38 2.41 0.00 110 A 8.12 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.69 2.11 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 1.62 0.96 1.05 0.00 0.00 112 I 7.96 3.87 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.88 1.13 0.00 0.00 113 H 8.41 4.11 0.00 3.38 3.48 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 7.92 3.56 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 0.97 0.00 0.00 0.99 0.00 0.00 115 L 7.85 3.75 0.00 0.55 0.51 0.74 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.21 4.44 0.00 3.45 3.63 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.73 4.32 0.00 4.03 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.96 4.09 0.00 1.66 1.63 0.00 3.12 0.00 0.00 2.99 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 119 H 8.20 5.00 0.00 3.19 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.80 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 4.37 0.00 2.21 2.29 0.00 3.79 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 2.06 1.93 0.00 121 G 8.12 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 0.00 122 N 8.37 5.09 0.00 2.75 2.89 0.00 0.00 6.68 7.13 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 0.00 123 F 7.86 5.03 0.00 3.06 3.02 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 0.00 124 G 7.77 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 8.42 3.88 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 0.00 126 D 7.96 4.19 0.00 2.65 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 0.00 127 A 7.75 3.91 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 0.00 128 Q 7.85 2.85 0.00 1.14 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 129 G 8.09 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.98 3.84 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 8.14 3.97 0.00 2.52 2.42 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.93 0.00 132 N 8.48 4.29 0.00 2.87 2.93 0.00 0.00 6.89 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 0.00 133 K 8.16 3.83 0.00 1.94 1.65 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.38 7.81 134 A 8.02 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 0.00 135 L 8.32 4.17 0.00 1.76 1.84 1.01 1.15 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 0.00 136 E 8.59 4.00 0.00 2.18 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 2.35 2.68 0.00 137 L 8.10 3.95 0.00 1.89 1.97 1.06 0.90 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 0.00 138 F 8.41 4.14 0.00 3.13 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 0.00 139 R 8.26 3.39 0.00 1.84 1.83 0.00 3.19 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.97 0.00 140 K 8.18 3.80 0.00 1.84 1.93 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.21 4.33 0.00 2.75 2.68 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 0.00 142 I 7.62 3.42 1.22 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.26 0.05 0.00 0.00 143 A 7.88 3.77 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 0.00 144 A 7.88 3.95 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 0.00 145 K 8.01 3.95 0.00 1.92 1.91 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.60 7.81 146 Y 8.35 4.50 0.00 3.26 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 0.00 147 K 8.19 3.94 0.00 2.00 1.96 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 148 E 7.99 4.07 0.00 2.19 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 2.36 2.52 0.00 149 L 7.93 4.38 0.00 1.85 1.74 1.04 0.91 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 0.00 150 G 8.12 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 0.00 151 Y 8.55 4.48 0.00 2.69 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 0.00 152 Q 8.09 3.10 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 153 G 5.42 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 0.00 0.00 0.00