NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9923 8.3549 109.7430 45.4882 0.0000 172.9146 2 L 4.4034 9.1110 120.3199 51.0123 43.6606 175.7996 3 S 4.6156 9.6297 117.8089 57.8253 66.3569 174.8109 4 D 4.5838 8.6601 121.8118 57.5961 40.4577 178.5716 5 D 4.3477 8.1271 118.2509 57.3062 41.1897 178.0580 6 E 3.9656 8.0023 118.7135 59.2119 29.4513 179.2000 7 W 4.3239 8.3017 119.2913 60.0326 29.1207 178.3239 8 N 4.5454 8.5661 116.5022 56.4711 37.7517 177.2843 9 H 4.2546 8.0463 117.5292 58.6939 28.8660 177.9936 10 V 3.7211 8.0897 120.2328 66.2741 31.5301 178.2434 11 L 4.3865 8.9671 119.0245 57.3145 41.1488 179.8268 12 G 3.6486 7.9517 105.3811 47.9832 0.0000 175.5364 13 I 3.8545 7.6799 122.9308 63.6623 37.1331 178.2273 14 W 3.9035 8.3744 128.9485 60.5092 30.2443 177.8462 15 A 4.0389 8.0385 119.6940 54.6388 17.8525 179.1245 16 K 4.0363 7.8879 115.9353 58.2070 32.5667 178.9487 17 V 3.4033 7.1467 118.9370 65.1573 31.5734 177.4601 18 E 3.7344 7.6480 118.1046 58.8786 29.0803 177.2594 19 P 4.4523 0.0000 0.0000 64.4532 31.7722 175.8678 20 D 4.8581 7.9760 119.0447 53.0586 42.3029 177.1904 21 L 3.7701 7.9366 120.5231 58.1552 41.9358 178.1838 22 S 4.4629 8.3475 115.3177 61.1336 62.6449 176.5566 23 A 3.9845 7.8994 122.6550 55.0165 18.1851 179.3947 24 H 4.0392 8.1019 114.9195 58.8401 28.9268 178.0329 25 G 3.6367 8.4939 107.8780 47.8671 0.0000 175.1796 26 Q 3.8607 8.0875 122.5912 58.9720 29.0321 178.3392 27 E 3.8889 7.8635 119.9858 59.1837 29.5681 179.2103 28 V 3.5803 7.7500 112.6638 64.3357 31.7095 178.6489 29 I 3.2925 7.4748 119.3037 64.1651 36.8781 178.5432 30 I 3.5112 7.4554 120.5855 64.4654 36.8935 178.8040 31 R 3.9142 8.0262 118.8827 58.7516 29.7366 178.6896 32 L 3.9286 7.6726 120.3517 58.4757 42.1694 179.2172 33 F 4.5160 7.6822 117.0426 60.5191 38.5685 177.6594 34 Q 3.9410 7.9575 118.4649 59.2356 29.0954 177.7961 35 L 4.2161 8.1026 118.0412 56.1323 43.3003 177.3939 36 H 4.7554 8.2045 116.0147 52.1511 30.2180 171.8391 37 P 4.6749 0.0000 0.0000 64.9100 31.7166 177.6325 38 E 4.1816 8.2226 116.5115 58.8229 29.3898 178.9416 39 T 3.8597 8.1711 110.4698 64.3510 68.8441 176.3883 40 Q 3.3261 7.9856 122.7072 58.8701 28.6617 177.9870 41 E 4.0577 7.6476 117.3927 58.9130 29.5294 178.7889 42 R 4.3660 8.1052 116.6698 56.6684 30.9715 177.2391 43 F 4.4386 8.1589 118.7878 55.0516 38.9777 175.3745 44 A 4.0283 8.4665 128.6062 55.9087 18.0478 179.6258 45 K 4.1058 7.8239 119.5507 58.4055 32.1728 179.5941 46 F 5.3574 8.1111 117.5140 58.1902 39.9153 177.8099 *47 K 3.8997 7.9497 126.5666 58.4874 31.3799 182.8703 *48 N 4.6892 8.0531 113.4124 53.3191 38.0379 178.0775 49 L 4.4621 7.9177 117.9145 54.9668 40.0756 176.5232 50 T 3.9913 8.1722 121.8122 66.2044 68.8969 176.6022 51 T 4.6129 7.6308 118.4611 61.8809 71.7475 179.9841 52 I 4.0327 8.1803 123.4861 66.7446 35.5085 179.3359 53 D 4.5458 8.0599 122.4376 58.4156 39.2490 180.3818 54 A 4.6076 7.8746 123.3018 54.3133 18.1109 179.6134 55 L 3.9726 7.4569 118.8936 58.4021 41.7488 180.0692 *56 K 4.1661 7.9029 123.2207 59.3807 32.0626 180.9660 57 S 4.6460 8.1578 113.5213 58.5324 63.3525 174.0272 58 S 4.4346 7.4716 121.2158 58.5934 62.7503 175.2044 59 E 4.0373 8.9057 127.5733 61.1380 29.5874 175.4340 60 E 4.2749 8.2317 118.8870 59.3980 29.5550 179.4453 61 V 3.1742 7.4796 118.0227 65.7175 31.4636 177.9373 62 K 3.8443 7.6804 119.3827 59.5981 32.0275 178.9492 63 K 4.0069 8.2840 118.8234 59.6430 31.9548 178.9224 64 H 4.3617 9.1019 119.1974 59.0909 29.9261 177.5191 65 G 3.6199 8.7410 108.0482 48.1597 0.0000 175.7684 66 T 3.9152 8.1987 118.4982 66.6920 68.4707 176.8038 67 T 3.9154 8.1115 117.7062 66.5319 68.4220 176.8216 68 V 3.5778 7.7723 120.0240 66.2116 31.6343 178.2521 69 L 4.2141 7.9207 118.3211 57.8588 41.5634 179.6141 70 T 3.9855 8.3250 116.0713 66.5365 68.5092 176.4859 71 A 3.9917 8.0885 122.7011 55.0516 18.3477 179.3857 72 L 3.7223 8.0803 119.0383 58.2171 42.0996 179.5216 73 G 3.0285 8.4638 106.0211 47.5131 0.0000 175.9556 74 R 3.9087 7.6074 119.2017 59.0322 30.3569 178.9437 75 I 3.8164 7.5095 119.2470 64.3646 37.1348 178.4491 76 L 3.9978 7.8578 120.1177 57.7186 41.1476 179.7503 77 K 3.9363 7.7907 117.3136 58.7431 32.0516 178.3291 78 Q 4.0735 7.5931 116.5946 54.4166 28.9501 176.8592 79 K 2.0000 7.4989 120.9087 56.9653 31.3203 178.3529 80 N 4.5818 8.3888 124.3232 56.2394 38.5678 175.0212 81 N 4.7490 7.3088 116.9431 51.4852 37.6537 173.7938 82 H 5.3935 7.8135 117.2007 54.8265 29.6999 177.4306 83 E 4.0794 8.6731 123.0695 63.2060 29.0543 183.0404 84 Q 4.2529 8.0048 119.7347 59.9193 28.3176 179.9187 85 E 4.4209 8.1875 118.5098 58.7030 29.9896 178.4267 86 L 4.2146 8.3315 123.1899 58.3962 42.1062 179.3603 87 K 4.0721 8.2605 124.0675 59.9161 31.6384 178.9883 88 P 4.5699 0.0000 0.0000 64.5160 31.1682 178.6353 89 L 4.0412 7.8414 119.2398 57.9656 42.1238 178.4494 90 A 4.2053 8.3896 121.0928 55.1152 18.3253 179.1771 91 E 2.5400 8.4986 118.4743 59.0859 29.6638 179.3098 92 S 3.9147 7.9711 114.2283 61.5948 63.1327 176.0894 93 H 4.0883 8.6927 119.7127 57.9343 28.1839 177.6547 94 A 2.5800 7.6752 122.5006 54.5939 18.6525 179.1564 95 T 3.9220 7.3356 106.1891 62.9222 69.3915 175.8139 96 K 4.1216 7.4097 119.3168 58.2947 33.2162 177.5171 97 H 4.1976 7.5010 113.5198 56.1339 29.6017 175.4212 98 K 2.7054 7.2552 116.5998 56.8916 28.5582 175.7770 99 I 4.3725 7.5187 118.9637 58.7013 38.6469 175.1443 100 P 4.5543 0.0000 0.0000 62.5203 31.9080 177.4667 101 V 3.6161 8.4685 119.3961 66.0796 31.3170 178.3082 102 K 3.6542 7.9278 118.9484 59.7834 32.0747 178.2036 103 Y 4.3765 7.7377 116.7083 60.9070 37.8635 178.3413 104 L 4.2354 7.9188 120.0937 57.7059 41.8193 179.0867 105 E 4.1291 8.4708 117.7779 59.1027 29.5827 179.2026 106 F 4.4863 7.9937 118.8852 60.7577 39.0260 177.4127 107 I 3.8372 7.9617 117.7673 64.1841 37.8689 177.5830 108 C 4.2252 8.2195 117.7045 62.8947 28.0426 175.9914 109 E 4.1075 8.3645 119.1631 59.5956 29.1337 179.2462 110 I 3.8027 8.0404 120.8012 63.9771 37.1213 178.4767 111 I 3.7361 7.9672 120.8083 64.3559 36.9849 178.6276 112 V 3.7919 7.9368 121.1336 66.5042 31.3250 178.6567 113 K 4.0193 8.2083 123.4314 59.9686 31.5374 180.7354 114 V 3.7572 8.0792 120.1088 66.0545 31.4197 178.2547 115 I 3.7004 7.9142 119.1388 64.1105 36.6069 178.2989 116 A 4.3980 8.0025 120.9278 55.2359 18.3516 178.9859 117 E 4.0399 8.2588 116.9668 59.3570 29.8939 178.7374 118 K 4.1288 7.9927 115.8997 57.5945 33.6189 176.5752 119 H 4.9617 8.2181 116.7365 53.4524 29.4203 172.8393 120 P 4.3385 0.0000 0.0000 65.4739 31.3577 177.6636 121 S 4.5772 8.0405 110.7799 58.5261 63.7960 174.0360 122 D 4.8879 8.1675 118.7701 54.1631 42.1728 176.4623 123 F 4.9545 7.9790 122.6613 56.6636 38.2993 175.6079 124 G 3.9281 7.6677 111.2968 42.9985 0.0000 170.0642 125 A 3.8481 8.4005 120.4857 55.4274 18.2393 179.7710 126 D 4.1605 7.8439 116.6890 57.5376 40.9055 179.0375 127 S 4.0854 7.7439 115.1262 61.6786 62.8743 176.6265 128 Q 3.4553 7.6806 120.6627 58.4789 28.2583 178.5037 129 A 3.8964 7.8240 121.6361 55.1556 18.3286 179.5835 130 A 3.7720 7.8943 119.1252 55.4727 18.4184 179.5754 131 M 3.9918 8.4592 117.1623 58.6394 32.2636 178.5043 132 K 3.9839 8.4593 119.1083 59.5624 32.2703 179.4528 133 K 3.9129 8.2694 118.5713 59.3111 31.9216 179.3163 134 A 3.8858 8.0236 121.3060 55.1133 18.2136 179.7211 135 L 4.1276 8.2280 117.6047 57.6765 41.6576 179.2804 136 E 3.9725 8.4525 119.8578 59.0222 29.5141 178.6227 137 L 3.9992 8.1655 120.6092 58.0295 42.1064 178.7218 138 F 4.2045 8.4119 120.6793 61.3094 39.2577 177.3773 139 R 3.4398 8.2987 117.7801 59.1386 29.8985 178.6516 140 N 4.2154 8.1525 116.2219 56.6614 38.5556 177.2982 141 D 4.3486 8.2020 120.0935 57.2977 40.8001 178.7771 142 M 3.7283 7.8648 119.2855 58.2329 31.6682 178.4443 143 A 3.6977 7.4707 119.5784 55.2982 18.2440 179.6279 144 S 4.2034 8.1116 113.4490 61.7234 63.0303 177.0538 145 K 4.0055 8.2190 121.2573 59.5788 31.6940 178.8343 146 Y 4.8016 8.7155 120.0656 62.0709 37.8615 179.6233 147 K 4.2200 7.9902 123.6524 59.7909 31.5547 180.3644 148 E 4.2574 7.9024 116.4690 57.8390 29.3113 177.4774 149 F 4.7983 8.1941 117.0550 57.0283 39.6239 176.3293 150 G 3.9764 8.4843 108.8284 45.2433 0.0000 173.1873 151 F 4.8420 7.9902 123.0966 56.7327 41.5561 176.0674 *152 Q 4.0421 7.8843 126.1163 56.5344 28.7036 174.5281 153 G 4.0093 5.9770 111.9215 45.3735 0.0000 172.9649 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 G 8.35 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 9.11 4.40 0.00 0.41 0.81 0.64 -0.76 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 3 S 9.63 4.62 0.00 4.04 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 4 D 8.66 4.58 0.00 2.78 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 5 D 8.13 4.35 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.00 3.97 0.00 2.11 1.68 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 2.23 2.29 0.00 7 W 8.30 4.32 0.00 3.54 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 8 N 8.57 4.55 0.00 2.86 2.88 0.00 0.00 7.00 8.23 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 9 H 8.05 4.25 0.00 3.42 3.37 0.00 5.81 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 10 V 8.09 3.72 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.85 0.00 0.00 11 L 8.97 4.39 0.00 1.81 1.81 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.95 3.65 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 0.00 13 I 7.68 3.85 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 0.67 0.00 0.00 14 W 8.37 3.90 0.00 3.66 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 15 A 8.04 4.04 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 16 K 7.89 4.04 0.00 1.74 1.73 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.39 7.81 17 V 7.15 3.40 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 0.00 0.00 0.00 0.39 0.00 0.00 18 E 7.65 3.73 0.00 1.93 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 2.30 2.26 0.00 19 P 0.00 4.45 0.00 2.17 2.14 0.00 3.54 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 20 D 7.98 4.86 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.94 3.77 0.00 1.79 1.61 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.35 4.46 0.00 3.88 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 23 A 7.90 3.98 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 24 H 8.10 4.04 0.00 3.36 3.30 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 8.49 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 26 Q 8.09 3.86 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 27 E 7.86 3.89 0.00 2.12 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 2.23 2.33 0.00 28 V 7.75 3.58 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 0.76 0.00 0.00 1.00 0.00 0.00 29 I 7.47 3.29 1.68 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.12 0.02 0.00 0.00 30 I 7.46 3.51 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.51 0.85 0.00 0.00 31 R 8.03 3.91 0.00 1.81 1.94 0.00 3.26 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 32 L 7.67 3.93 0.00 1.80 1.59 1.04 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.68 4.52 0.00 3.15 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 Q 7.96 3.94 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 35 L 8.10 4.22 0.00 1.96 1.41 0.92 0.89 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 36 H 8.20 4.76 0.00 3.12 2.86 0.00 5.64 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 37 P 0.00 4.67 0.00 2.14 2.11 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 38 E 8.22 4.18 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 39 T 8.17 3.86 4.43 0.00 0.00 0.00 0.00 0.00 0.00 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 40 Q 7.99 3.33 0.00 1.32 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.03 1.33 0.00 41 E 7.65 4.06 0.00 2.25 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 2.38 2.41 0.00 42 R 8.11 4.37 0.00 1.91 1.76 0.00 3.40 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.13 0.00 43 F 8.16 4.44 0.00 3.32 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 44 A 8.47 4.03 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 45 K 7.82 4.11 0.00 1.87 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.09 7.81 46 F 8.11 5.36 0.00 3.08 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 *47 K 7.95 3.90 0.00 1.71 1.78 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.31 7.81 *48 N 8.05 4.69 0.00 2.73 2.75 0.00 0.00 6.68 7.79 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 49 L 7.92 4.46 0.00 1.68 1.65 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.17 3.99 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 1.20 0.00 0.00 51 T 7.63 4.61 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 52 I 8.18 4.03 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.54 0.89 0.00 0.00 53 D 8.06 4.55 0.00 2.67 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 54 A 7.87 4.61 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 55 L 7.46 3.97 0.00 1.88 1.68 1.03 0.80 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 *56 K 7.90 4.17 0.00 1.86 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 57 S 8.16 4.65 0.00 4.02 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 58 S 7.47 4.43 0.00 3.86 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 59 E 8.91 4.04 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.97 0.00 60 E 8.23 4.27 0.00 2.16 2.45 0.00 0.00 0.00 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 2.46 0.00 61 V 7.48 3.17 1.55 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 0.76 0.00 0.00 0.16 0.00 0.00 62 K 7.68 3.84 0.00 1.77 1.89 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.28 4.01 0.00 2.17 1.90 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.31 7.81 64 H 9.10 4.36 0.00 3.51 3.74 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 8.74 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.20 3.92 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 1.22 0.00 0.00 67 T 8.11 3.92 4.51 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 1.25 0.00 0.00 68 V 7.77 3.58 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 1.09 0.00 0.00 0.96 0.00 0.00 69 L 7.92 4.21 0.00 1.87 2.00 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.32 3.99 4.53 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 1.25 0.00 0.00 71 A 8.09 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 72 L 8.08 3.72 0.00 1.59 1.70 0.22 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.46 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 0.00 0.00 0.00 74 R 7.61 3.91 0.00 1.98 1.98 0.00 3.17 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 75 I 7.51 3.82 1.85 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 1.52 0.93 0.86 0.00 0.00 76 L 7.86 4.00 0.00 1.13 1.59 0.08 0.98 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 77 K 7.79 3.94 0.00 1.64 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.50 7.81 78 Q 7.59 4.07 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 5.79 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 79 K 7.50 2.00 0.00 1.13 0.74 0.00 1.13 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.42 1.00 7.81 80 N 8.39 4.58 0.00 2.72 2.92 0.00 0.00 6.65 8.00 0.00 0.00 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 N 7.31 4.75 0.00 2.56 2.70 0.00 0.00 6.80 8.04 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 82 H 7.81 5.39 0.00 3.26 3.41 0.00 5.68 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.67 4.08 0.00 1.99 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 0.00 2.33 1.98 0.00 84 Q 8.00 4.25 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.06 0.00 0.00 0.00 0.00 0.00 2.28 2.02 0.00 85 E 8.19 4.42 0.00 1.94 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 2.44 2.28 0.00 86 L 8.33 4.21 0.00 2.04 1.70 0.83 0.71 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 87 K 8.26 4.07 0.00 1.79 1.85 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.40 7.81 88 P 0.00 4.57 0.00 2.18 2.14 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 89 L 7.84 4.04 0.00 1.83 1.82 0.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.39 4.21 1.63 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 91 E 8.50 2.54 0.00 1.75 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 1.78 1.47 0.00 92 S 7.97 3.91 0.00 3.97 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 93 H 8.69 4.09 0.00 3.62 3.63 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 7.68 2.58 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 95 T 7.34 3.92 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 1.00 0.00 0.00 96 K 7.41 4.12 0.00 1.70 1.57 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.26 7.81 97 H 7.50 4.20 0.00 2.93 3.09 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.26 2.71 0.00 2.00 1.72 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.01 7.81 99 I 7.52 4.37 2.06 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 1.45 0.43 1.21 0.00 0.00 100 P 0.00 4.55 0.00 1.95 2.01 0.00 3.44 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 0.85 1.38 0.00 101 V 8.47 3.62 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 0.99 0.00 0.00 0.95 0.00 0.00 102 K 7.93 3.65 0.00 1.79 1.56 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.11 7.81 103 Y 7.74 4.38 0.00 3.26 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.92 4.24 0.00 1.88 1.78 0.67 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.47 4.13 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 106 F 7.99 4.49 0.00 3.25 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 0.00 107 I 7.96 3.84 2.05 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 1.61 1.43 1.14 0.00 0.00 108 C 8.22 4.23 0.00 3.30 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 0.00 109 E 8.36 4.11 0.00 2.40 2.32 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 2.29 2.22 0.00 110 I 8.04 3.80 2.05 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 1.54 0.62 0.91 0.00 0.00 111 I 7.97 3.74 2.09 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 1.48 1.01 1.03 0.00 0.00 112 V 7.94 3.79 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 1.13 0.00 0.00 113 K 8.21 4.02 0.00 1.81 1.81 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.33 7.81 114 V 8.08 3.76 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 0.90 0.00 0.00 0.93 0.00 0.00 115 I 7.91 3.70 1.42 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.79 -0.01 0.00 0.00 116 A 8.00 4.40 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 0.00 0.00 0.00 0.00 0.00 117 E 8.26 4.04 0.00 2.23 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 2.31 2.35 0.00 118 K 7.99 4.13 0.00 1.61 1.57 0.00 1.32 0.00 0.00 1.30 0.00 0.00 2.81 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.33 1.47 7.81 119 H 8.22 4.96 0.00 3.25 3.23 0.00 5.64 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 0.00 120 P 0.00 4.34 0.00 2.19 2.23 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 121 S 8.04 4.58 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 0.00 122 D 8.17 4.89 0.00 2.76 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 0.00 123 F 7.98 4.95 0.00 2.85 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 0.00 124 G 7.67 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 0.00 0.00 0.00 125 A 8.40 3.85 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.84 4.16 0.00 2.50 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 4.09 0.00 3.89 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.68 3.46 0.00 1.74 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.71 0.00 129 A 7.82 3.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.89 3.77 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 0.00 131 M 8.46 3.99 0.00 2.42 2.37 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.86 0.00 132 K 8.46 3.98 0.00 2.01 1.85 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.65 7.81 133 K 8.27 3.91 0.00 1.92 1.70 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.38 7.81 134 A 8.02 3.89 1.22 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 0.00 0.00 0.00 135 L 8.23 4.13 0.00 1.77 1.83 0.99 0.54 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 0.00 136 E 8.45 3.97 0.00 2.15 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 2.31 2.33 0.00 137 L 8.17 4.00 0.00 1.88 1.96 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.41 4.20 0.00 3.10 3.22 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 0.00 139 R 8.30 3.44 0.00 2.13 1.88 0.00 3.20 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 140 N 8.15 4.22 0.00 2.86 2.84 0.00 0.00 7.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.20 4.35 0.00 2.68 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 0.00 142 M 7.86 3.73 0.00 1.24 1.71 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.92 0.00 143 A 7.47 3.70 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 0.00 144 S 8.11 4.20 0.00 3.99 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.22 4.01 0.00 2.07 2.12 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 146 Y 8.72 4.80 0.00 3.20 3.37 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 0.00 147 K 7.99 4.22 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 148 E 7.90 4.26 0.00 1.55 1.56 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 2.19 2.20 0.00 149 F 8.19 4.80 0.00 3.08 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 0.00 150 G 8.48 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 0.00 0.00 0.00 151 F 7.99 4.84 0.00 2.83 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 *152 Q 7.88 4.04 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.35 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 153 G 5.98 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 * Residues marked with a * may have inaccurate shift predictions.