NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0961 8.0549 120.3915 62.3988 32.5934 175.2801 2 L 3.9592 8.2891 127.2810 52.5485 42.2372 175.9760 3 S 4.5222 9.8301 118.6699 57.8200 66.1913 174.9791 4 E 4.2593 8.8837 121.9066 59.5936 29.2303 179.8561 5 G 3.6687 8.1233 105.1827 48.0294 0.0000 175.4303 6 E 3.9656 8.2490 121.3779 58.7967 29.3288 179.5120 7 W 4.4029 8.3724 119.2778 59.8137 29.0286 178.2812 8 Q 4.0879 8.6343 119.8885 59.1271 28.3256 178.4415 9 L 4.0474 7.9096 119.5954 57.6877 41.6107 179.4348 10 V 3.7984 7.9099 118.1345 66.3367 31.6009 177.9516 11 L 4.3524 8.5349 117.9278 56.9907 41.3553 178.8486 12 H 4.2404 8.3819 118.6639 59.1787 30.2627 177.2624 13 V 3.7235 7.8068 121.2633 64.5784 31.3115 178.1216 14 W 3.7446 8.7258 129.0886 59.9756 30.3196 177.7505 15 A 3.9984 8.2609 120.7905 54.9646 17.8594 179.7414 16 K 3.6763 7.6357 116.7056 59.4168 31.8925 179.6972 17 V 2.9763 7.0239 118.6431 65.3655 31.0370 177.5576 18 E 3.8596 7.0056 116.0478 57.9276 29.3298 178.1483 19 A 4.2383 7.3717 119.7606 53.1757 20.1698 177.4526 20 D 4.6569 7.9252 116.8749 52.2113 42.6510 175.7286 21 V 3.5252 7.7677 123.5972 66.0094 32.0898 176.7698 22 A 4.0904 8.0030 120.1772 54.9896 18.2988 179.6522 23 G 3.6087 8.4415 105.7160 47.6843 0.0000 175.7000 24 H 4.1262 8.1942 118.7496 58.3837 28.6991 177.9480 25 G 3.6801 8.3534 107.9155 48.0142 0.0000 175.4238 26 Q 3.8946 8.2289 120.9529 58.8968 28.7573 179.0647 27 D 4.2793 7.9189 119.5277 57.2076 40.7227 178.9367 28 I 3.6254 7.9766 120.6482 64.4083 37.0717 178.4794 29 L 3.4014 7.7705 119.7393 57.5437 41.2284 179.6404 30 I 3.5664 7.7759 120.0847 64.4124 36.9932 178.4833 31 R 3.7958 7.9827 119.4981 59.0887 29.7764 178.3309 32 L 3.9353 7.9403 120.4471 58.3127 41.8807 179.0933 33 F 4.5751 8.1199 117.9111 60.3407 38.5514 178.0441 34 K 4.0336 8.2578 118.1008 59.5370 31.9618 179.3195 35 S 4.3050 8.2227 114.8945 60.4948 64.0285 174.5065 36 H 4.6682 8.2092 118.7899 52.2134 29.6432 171.9070 37 P 4.7787 0.0000 0.0000 64.4174 31.4401 177.4156 38 E 4.1018 8.2928 116.3635 59.3930 29.3332 179.1649 39 T 4.0936 8.3662 111.5414 64.5611 68.9401 176.4447 40 L 3.6094 7.8880 123.1601 57.7279 41.7954 178.4042 41 E 4.0823 7.7460 116.7346 58.4372 29.6428 178.2603 42 K 4.4379 7.9889 116.7692 57.1104 32.4542 177.1276 43 F 4.6075 8.1570 119.2537 55.7140 40.0040 175.8580 44 D 4.3479 8.5671 125.2491 57.1892 40.4545 178.5779 45 R 3.7285 7.9123 118.1124 58.5388 30.0778 176.6277 46 F 5.0390 8.1579 114.3466 56.5741 40.8827 176.2592 47 K 4.1859 7.7003 119.0910 58.2631 32.4004 177.5856 48 H 4.3727 8.0694 114.8089 57.1493 28.9703 175.1675 49 L 4.3127 7.8039 121.9988 54.3748 41.4849 176.6664 50 K 4.5293 9.6585 123.0102 56.1674 33.4951 176.6787 51 T 4.7340 7.4254 109.1351 58.8477 73.2368 174.0935 52 E 3.8653 8.7251 122.2020 59.4775 29.6947 178.9320 53 A 4.0391 7.9895 120.3091 55.2378 18.2080 179.3285 54 E 3.9120 8.2115 116.2924 59.7049 29.9392 178.9515 55 M 4.1423 8.1815 118.8501 58.6293 31.8705 179.0961 56 K 3.9727 8.3169 117.0772 59.0325 32.2639 178.5574 57 A 4.3886 7.6890 119.0564 52.0563 19.0564 177.0701 58 S 4.3918 7.4988 113.5890 57.1215 62.7292 174.4393 59 E 4.0109 8.8382 129.3639 59.2688 29.4777 177.9460 60 D 4.4175 8.1838 117.8861 57.2536 41.3831 177.8526 61 L 3.6792 8.2087 121.0185 57.7329 42.0119 178.8392 62 K 3.9189 8.0044 119.4703 59.3101 32.1357 178.8814 63 K 3.9765 8.4186 119.1484 59.9268 31.9496 178.8221 64 H 4.4797 8.7248 118.4708 58.8420 29.7374 177.5471 65 G 3.5527 8.2361 107.9883 47.6767 0.0000 175.8341 66 V 3.6102 7.7644 120.7731 65.9732 31.6369 178.0785 67 T 3.8861 7.9415 115.4603 66.7255 68.2338 176.7002 68 V 3.6059 7.9428 120.0299 66.1787 31.5724 178.1309 69 L 4.2471 8.2089 118.4470 57.7315 41.4739 179.5940 70 T 3.9917 8.4295 116.4085 66.4386 68.4752 176.6077 71 A 4.0128 8.0473 122.6597 55.0170 18.3923 179.3784 72 L 3.7722 8.2957 119.3841 58.1177 42.0928 179.4633 73 G 3.1835 8.4393 105.7494 47.6462 0.0000 175.5108 74 A 4.0145 7.8598 122.1792 54.8888 18.6207 179.5545 75 I 3.8381 7.4922 117.9868 64.3922 37.1807 178.5537 76 L 3.9775 7.7740 120.0008 57.6605 41.2422 179.2847 77 K 4.0904 7.7565 115.7594 57.6955 32.2385 178.3752 78 K 4.0480 7.8599 118.7278 55.3291 32.7203 176.3547 79 K 2.0000 8.3658 118.1958 56.4528 29.8455 174.9542 80 G 4.0247 8.0647 106.1027 45.9029 0.0000 174.2316 81 H 4.5673 7.4895 118.8386 55.1490 27.4988 174.9006 82 H 5.2084 7.1633 110.5737 54.5039 29.7307 176.7185 83 E 3.9417 8.4934 122.7026 60.1689 29.1782 178.3966 84 A 4.0428 7.9602 118.9752 55.0493 17.8625 178.8304 85 E 4.1775 8.0798 116.5317 59.2109 29.9309 179.0192 86 L 4.2620 8.4082 119.4627 57.1023 41.4979 179.1436 87 K 3.8109 8.0415 120.3318 59.2697 32.0459 177.0366 88 P 4.2399 0.0000 0.0000 65.4678 31.2689 178.1045 89 L 3.9772 7.5016 120.4951 58.0080 42.0035 178.8268 90 A 4.1024 8.5319 121.0814 55.1693 18.3416 179.4169 91 Q 3.8110 8.2882 117.0768 59.3272 28.8266 179.6271 92 S 4.0029 8.2578 115.1548 61.6850 63.0073 176.1679 93 H 4.2093 8.7028 119.8683 58.1864 28.1864 177.7054 94 A 3.0946 7.8187 122.6968 54.5102 18.2480 178.9763 95 T 3.7043 7.1761 105.8588 62.0056 69.7192 175.4716 96 K 4.1911 7.4367 120.4080 58.2224 33.3405 176.8081 97 H 4.3608 8.0472 113.9896 55.9557 29.3705 175.2046 98 K 3.7900 7.7299 116.7756 57.4087 28.5352 176.0570 99 I 4.2574 7.8551 119.2917 58.8258 38.9016 175.1066 100 P 4.5005 0.0000 0.0000 62.0873 32.1461 177.4373 101 I 3.4494 8.3117 121.6279 64.5320 36.8881 178.6254 102 K 3.7438 7.8677 119.7954 59.4903 31.9836 177.9313 103 Y 3.9801 7.8934 116.2126 59.9116 37.8341 177.7806 104 L 4.1626 7.9144 120.7286 57.3644 41.6911 178.8485 105 E 3.9545 7.8719 119.0517 59.3478 29.6697 178.6642 106 F 4.4809 7.8097 117.8496 60.7786 38.8956 177.5302 107 I 3.9059 8.2582 118.1738 63.9446 37.7729 178.1402 108 S 4.2479 8.2501 116.4150 61.4308 62.5819 176.3682 109 E 4.0590 8.5389 121.2746 59.4221 29.2194 179.2754 110 A 4.0498 8.1901 120.8720 54.9821 18.3872 179.6827 111 I 3.6856 8.2346 118.8669 64.7389 37.2420 178.7024 112 I 3.8512 7.9691 120.5271 64.5659 36.9295 177.9987 113 H 4.1106 8.4656 119.1161 59.4058 29.7051 177.5493 114 V 3.5820 7.9718 120.0273 65.9756 31.3335 178.0038 115 L 3.8020 7.9852 118.8680 57.6486 41.0432 178.9451 116 H 4.4324 7.8617 117.7490 59.3517 29.9145 177.2524 117 S 4.1956 7.9859 116.1273 61.3924 62.7718 176.2764 118 R 4.1343 7.8402 118.8452 57.2273 31.1218 176.3390 119 H 5.0054 8.0971 116.6957 54.0063 30.1415 173.3865 120 P 4.3017 0.0000 0.0000 65.7420 31.6022 178.8794 121 G 3.7019 8.0997 106.5065 47.4102 0.0000 173.7147 122 D 4.9876 8.0278 117.9371 54.0426 41.4553 176.4616 123 F 4.9971 7.9333 120.5486 56.4233 39.6957 174.6174 124 G 3.8872 7.8181 108.2516 44.1380 0.0000 172.5441 125 A 4.0615 8.4089 120.7611 54.6722 18.2380 179.5592 126 D 4.1872 7.9981 117.3070 56.8719 39.3813 178.7682 127 A 3.9330 7.7733 122.2645 54.4414 18.3178 179.4327 128 Q 3.2319 8.1135 117.1829 58.6872 28.6337 179.2099 129 G 3.4681 8.3390 107.0571 47.5699 0.0000 175.7162 130 A 3.8604 8.0623 123.2803 55.1379 18.3234 179.4601 131 M 4.0047 8.4188 117.1377 58.5460 32.2122 177.8847 132 N 4.2993 8.4693 117.6973 56.7648 39.1014 177.0629 133 K 3.9061 8.1086 119.6291 59.2026 32.0813 179.1939 134 A 3.8351 8.0982 121.4284 55.2436 18.3226 179.7538 135 L 4.0832 8.2971 117.6550 57.6501 41.6107 179.5221 136 E 3.9990 8.5227 119.1673 59.3366 29.3494 179.0461 137 L 4.0008 8.1509 120.4325 58.0828 42.0948 178.7682 138 F 4.0680 8.3783 120.6116 61.4795 39.3443 177.4145 139 R 3.6309 8.1733 117.6871 58.7098 29.8975 178.9420 140 K 3.8588 8.3984 120.0219 59.7321 32.1245 178.7094 141 D 4.3930 8.2672 119.1258 57.0997 40.6623 178.8687 142 I 3.5780 7.6566 120.5407 64.0483 36.8952 178.2110 143 A 3.7996 8.2520 121.9150 54.9379 18.1143 179.5709 144 A 3.9534 7.9188 119.2870 55.1259 18.5148 180.0578 145 K 4.0239 7.9461 117.2578 59.5413 32.0997 178.9674 146 Y 4.0868 8.6118 117.6622 61.1638 37.8333 178.8511 147 K 3.9879 8.4735 120.5224 59.3805 32.0764 178.0316 148 E 3.9449 7.9508 118.5652 59.5565 29.6383 178.4318 149 L 4.4356 7.6587 114.8681 55.0026 41.9462 177.5914 150 G 3.8090 8.2194 107.3501 45.9953 0.0000 173.5531 151 Y 4.5130 8.2578 114.2866 57.3421 38.6627 176.8403 152 Q 4.1184 8.3050 123.0523 56.9636 29.6043 176.0684 153 G 4.1032 8.1386 110.6963 45.8110 0.0000 173.0523 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 V 8.05 4.10 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.29 3.96 0.00 0.56 0.67 0.55 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.83 4.52 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 4 E 8.88 4.26 0.00 2.07 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 0.00 2.50 2.39 0.00 5 G 8.12 3.67 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 0.00 0.00 0.00 6 E 8.25 3.97 0.00 2.05 1.73 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 2.22 2.27 0.00 7 W 8.37 4.40 0.00 3.50 3.14 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 0.00 8 Q 8.63 4.09 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 9 L 7.91 4.05 0.00 1.95 1.74 0.95 0.78 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 10 V 7.91 3.80 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.90 0.00 0.00 11 L 8.53 4.35 0.00 1.86 1.82 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.38 4.24 0.00 3.31 3.60 0.00 5.95 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 13 V 7.81 3.72 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 1.01 0.00 0.00 0.83 0.00 0.00 14 W 8.73 3.74 0.00 3.73 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 15 A 8.26 4.00 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 16 K 7.64 3.68 0.00 1.43 1.52 0.00 1.59 0.00 0.00 1.45 0.00 0.00 2.71 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.41 7.81 17 V 7.02 2.98 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 0.00 0.00 -0.03 0.00 0.00 0.15 0.00 0.00 18 E 7.01 3.86 0.00 1.95 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 2.04 0.00 19 A 7.37 4.24 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 20 D 7.93 4.66 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 3.53 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 1.06 0.00 0.00 0.86 0.00 0.00 22 A 8.00 4.09 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 8.44 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.19 4.13 0.00 3.28 3.23 0.00 5.83 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 8.35 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.23 3.89 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 27 D 7.92 4.28 0.00 2.75 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 28 I 7.98 3.63 2.01 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 1.51 0.68 0.88 0.00 0.00 29 L 7.77 3.40 0.00 1.27 0.77 0.75 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.78 3.57 1.83 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 1.35 0.71 0.87 0.00 0.00 31 R 7.98 3.80 0.00 1.90 1.99 0.00 3.04 0.00 0.00 2.96 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 32 L 7.94 3.94 0.00 1.77 1.49 1.07 1.35 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 33 F 8.12 4.58 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 34 K 8.26 4.03 0.00 1.75 1.83 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.58 7.81 35 S 8.22 4.31 0.00 3.69 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 36 H 8.21 4.67 0.00 3.03 2.82 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.78 0.00 2.14 2.09 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 38 E 8.29 4.10 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.35 0.00 39 T 8.37 4.09 4.55 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 0.96 0.00 0.00 40 L 7.89 3.61 0.00 1.32 1.75 0.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.75 4.08 0.00 2.08 2.23 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 2.38 2.45 0.00 42 K 7.99 4.44 0.00 1.95 1.73 0.00 1.93 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.78 1.92 7.81 43 F 8.16 4.61 0.00 3.16 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 44 D 8.57 4.35 0.00 2.65 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 7.91 3.73 0.00 1.39 0.66 0.00 3.00 0.00 0.00 2.83 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.45 0.00 46 F 8.16 5.04 0.00 2.88 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 47 K 7.70 4.19 0.00 2.00 2.24 0.00 1.63 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.63 1.40 7.81 48 H 8.07 4.37 0.00 3.31 3.48 0.00 5.52 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 49 L 7.80 4.31 0.00 1.62 1.59 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.66 4.53 0.00 1.66 1.80 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.48 7.81 51 T 7.43 4.73 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 8.73 3.87 0.00 2.04 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 2.35 2.36 0.00 53 A 7.99 4.04 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 8.21 3.91 0.00 2.10 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 2.35 0.00 55 M 8.18 4.14 0.00 2.03 2.28 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 2.80 2.58 0.00 56 K 8.32 3.97 0.00 1.85 1.85 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.42 7.81 57 A 7.69 4.39 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 58 S 7.50 4.39 0.00 3.94 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 59 E 8.84 4.01 0.00 2.14 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 2.40 2.45 0.00 60 D 8.18 4.42 0.00 2.91 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 61 L 8.21 3.68 0.00 1.44 1.64 -0.23 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.00 3.92 0.00 1.88 1.96 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.42 3.98 0.00 2.18 1.95 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.50 7.81 64 H 8.72 4.48 0.00 3.66 3.50 0.00 5.79 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 8.24 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 66 V 7.76 3.61 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.98 0.00 0.00 67 T 7.94 3.89 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 1.28 0.00 0.00 68 V 7.94 3.61 2.23 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 1.18 0.00 0.00 0.98 0.00 0.00 69 L 8.21 4.25 0.00 1.82 1.94 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.43 3.99 4.47 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 1.26 0.00 0.00 71 A 8.05 4.01 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 72 L 8.30 3.77 0.00 1.55 1.56 0.24 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.44 3.18 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 0.00 0.00 0.00 74 A 7.86 4.01 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 75 I 7.49 3.84 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.72 0.98 0.00 0.00 76 L 7.77 3.98 0.00 1.32 1.56 -0.26 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.76 4.09 0.00 1.66 1.79 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.53 7.81 78 K 7.86 4.05 0.00 1.85 1.79 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.77 7.81 79 K 8.37 2.00 0.00 1.25 0.74 0.00 1.45 0.00 0.00 1.41 0.00 0.00 2.64 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 0.80 7.81 80 G 8.06 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 0.00 0.00 0.00 81 H 7.49 4.57 0.00 3.14 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.93 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 5.21 0.00 3.32 3.42 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.49 3.94 0.00 2.12 2.01 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 2.39 2.46 0.00 84 A 7.96 4.04 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 85 E 8.08 4.18 0.00 2.23 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 2.39 2.46 0.00 86 L 8.41 4.26 0.00 1.68 1.65 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.04 3.81 0.00 1.98 1.82 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 88 P 0.00 4.24 0.00 2.32 2.30 0.00 3.98 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.03 0.00 89 L 7.50 3.98 0.00 2.03 1.89 1.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.53 4.10 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 91 Q 8.29 3.81 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 92 S 8.26 4.00 0.00 3.86 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.70 4.21 0.00 3.49 3.58 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.82 3.09 -0.10 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 0.00 0.00 95 T 7.18 3.70 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 0.82 0.00 0.00 96 K 7.44 4.19 0.00 1.55 1.68 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.19 1.34 7.81 97 H 8.05 4.36 0.00 2.99 3.14 0.00 5.83 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 98 K 7.73 3.79 0.00 1.89 1.90 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.39 7.81 99 I 7.86 4.26 2.03 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 1.32 0.93 1.07 0.00 0.00 100 P 0.00 4.50 0.00 1.82 1.80 0.00 2.32 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.78 0.00 101 I 8.31 3.45 1.72 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 0.72 0.00 0.00 102 K 7.87 3.74 0.00 1.75 1.71 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 0.72 7.81 103 Y 7.89 3.98 0.00 3.11 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 0.00 104 L 7.91 4.16 0.00 1.82 1.83 0.67 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.87 3.95 0.00 1.94 1.92 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 2.44 2.42 0.00 106 F 7.81 4.48 0.00 3.22 2.79 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 0.00 107 I 8.26 3.91 2.02 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 1.57 1.55 1.08 0.00 0.00 108 S 8.25 4.25 0.00 4.18 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.54 4.06 0.00 2.28 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 0.00 2.64 2.60 0.00 110 A 8.19 4.05 1.40 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 0.00 111 I 8.23 3.69 2.06 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 1.60 0.77 1.06 0.00 0.00 112 I 7.97 3.85 2.01 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 1.68 0.98 1.19 0.00 0.00 113 H 8.47 4.11 0.00 3.34 3.45 0.00 5.59 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 0.00 114 V 7.97 3.58 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 0.96 0.00 0.00 0.97 0.00 0.00 115 L 7.99 3.80 0.00 1.04 0.52 0.79 0.61 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 0.00 116 H 7.86 4.43 0.00 3.51 3.55 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.99 4.20 0.00 3.99 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 0.00 118 R 7.84 4.13 0.00 1.51 1.56 0.00 2.77 0.00 0.00 2.70 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 119 H 8.10 5.01 0.00 3.19 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.74 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 4.30 0.00 2.18 2.30 0.00 3.74 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 121 G 8.10 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 0.00 122 D 8.03 4.99 0.00 2.78 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 0.00 123 F 7.93 5.00 0.00 2.98 3.01 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 0.00 124 G 7.82 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 0.00 0.00 0.00 125 A 8.41 4.06 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 0.00 126 D 8.00 4.19 0.00 2.87 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.77 3.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 8.11 3.23 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 129 G 8.34 3.47 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 0.00 0.00 0.00 130 A 8.06 3.86 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 0.00 131 M 8.42 4.00 0.00 2.41 2.49 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.87 0.00 132 N 8.47 4.30 0.00 2.86 2.93 0.00 0.00 7.17 8.14 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 0.00 133 K 8.11 3.91 0.00 1.83 1.67 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.49 7.81 134 A 8.10 3.84 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 8.30 4.08 0.00 1.73 1.77 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.52 4.00 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 137 L 8.15 4.00 0.00 1.87 1.97 0.98 1.00 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 0.00 138 F 8.38 4.07 0.00 3.05 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.17 3.63 0.00 2.05 1.88 0.00 3.14 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.96 0.00 140 K 8.40 3.86 0.00 1.82 1.96 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.27 4.39 0.00 2.74 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 0.00 142 I 7.66 3.58 1.34 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.28 0.45 0.00 0.00 143 A 8.25 3.80 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 0.00 144 A 7.92 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.95 4.02 0.00 1.98 1.91 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.58 7.81 146 Y 8.61 4.09 0.00 3.07 3.01 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 0.00 147 K 8.47 3.99 0.00 2.08 2.00 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.95 3.94 0.00 2.04 2.23 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 2.35 2.39 0.00 149 L 7.66 4.44 0.00 1.97 1.94 0.78 0.97 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 0.00 150 G 8.22 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 0.00 151 Y 8.26 4.51 0.00 2.66 2.84 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 0.00 152 Q 8.30 4.12 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 153 G 8.14 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 0.00 0.00 0.00