NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4857 8.1933 115.4128 57.7635 64.4880 174.5455 5 E 3.8497 8.7288 120.1331 58.5553 29.4860 177.1534 6 L 3.8890 8.1222 119.5649 57.9528 43.6822 177.3014 7 E 4.0312 8.2310 119.3225 59.2333 29.7635 179.4562 8 K 4.1230 7.9725 116.1007 56.8961 31.2505 178.7429 *10 L 4.2324 7.9032 120.7694 54.1626 43.3410 177.9164 11 K 4.4266 7.6167 114.1026 55.8707 32.5397 176.2986 12 G 3.9031 8.3529 105.9560 45.7159 0.0000 173.4321 13 E 4.6908 7.9447 117.9347 53.8764 32.1286 175.8149 14 H 4.5293 8.3816 117.4908 56.5116 29.3359 174.8036 15 F 4.8682 7.6096 114.1540 56.1286 40.2053 173.5898 16 D 4.5931 9.2234 122.5207 52.9792 40.3122 177.3884 17 G 3.9944 8.6528 116.1316 47.6155 0.0000 172.8262 18 A 4.4294 8.0832 121.6435 52.3263 19.1180 178.0609 19 S 4.2760 8.1764 112.3467 58.0055 64.1131 174.5256 20 A 4.0860 8.7629 130.2337 55.5378 18.0758 179.8590 21 E 3.9069 8.1521 116.2524 59.6583 29.6795 179.5433 22 I 3.6444 7.6816 119.1128 64.5884 37.2825 178.2285 23 E 4.1114 8.8406 119.5022 59.2050 29.1811 179.4270 24 A 3.9900 8.2532 121.2121 55.2512 18.5594 179.5405 25 L 4.0368 8.0118 118.8142 58.1387 42.0935 179.1313 26 R 4.1756 8.1708 120.3222 58.7916 30.1580 178.4195 27 S 4.1234 8.0341 112.7801 61.1112 62.3737 175.9178 28 Q 3.9457 8.1902 122.3274 59.0649 28.7822 178.0325 29 A 4.1056 8.2106 122.0256 55.0204 18.2608 179.8728 30 G 3.5035 8.2587 104.3650 47.8908 0.0000 175.9913 31 R 3.9027 7.8768 120.9834 59.1389 30.1091 178.6527 32 L 3.9652 7.9499 118.8270 57.5999 41.5135 179.6288 33 K 3.9699 8.2163 118.5881 59.3971 31.9489 179.1527 34 L 3.9615 7.6901 120.6692 58.0520 41.7712 178.6763 35 E 3.9139 7.8233 118.2549 59.1939 29.8906 178.4925 36 I 3.8216 8.0797 120.2206 64.6815 37.0621 178.3100 37 N 4.5092 8.4313 115.6242 55.3307 38.3772 176.4094 38 Q 4.4987 7.5412 116.8369 54.5865 29.8278 175.1615 39 S 4.4975 7.4396 115.8018 57.5584 63.2022 173.7677 40 L 4.3775 8.4328 125.4788 54.7680 42.2661 176.2805 41 D 4.7095 7.7262 119.4873 52.4961 42.0368 175.8973 42 E 3.9194 8.7439 128.6563 59.4520 29.6321 178.3789 43 A 4.1179 8.3506 120.6596 54.6319 18.4049 179.3721 44 E 3.8650 8.2118 117.7939 59.5125 29.8822 178.8650 45 R 3.8859 8.1358 118.2287 59.4607 30.1367 178.3873 46 Y 4.2112 8.2939 120.2255 59.9874 38.3599 177.8854 47 A 3.8788 8.2747 121.7232 55.3121 18.5469 179.3279 48 L 3.8733 8.2882 117.6941 58.3839 41.5168 180.0214 49 Q 3.4651 8.2952 117.9722 58.7169 28.3038 179.0348 50 R 3.7575 7.3744 118.3746 58.7197 30.0165 178.4515 51 E 3.9860 7.2935 117.6427 58.9478 29.8254 178.3262 52 L 3.9099 7.5367 120.3021 57.2133 42.2343 176.9346 53 F 5.7058 6.2881 115.3939 55.7566 40.1385 175.8674 54 G 4.0581 8.4976 111.2969 49.9495 0.0000 173.3003 55 H 4.9701 8.0159 117.8858 54.7791 33.6137 172.6071 56 L 4.7213 7.8879 125.9530 53.5367 44.2606 175.6351 57 G 3.9987 9.0088 114.5634 45.4044 0.0000 172.0277 58 H 4.3740 9.0169 117.1382 56.4960 30.0613 176.4848 59 K 3.8705 8.5278 120.2389 57.7972 29.7015 174.6557 60 S 5.2086 8.0300 112.0261 57.0916 65.8306 173.9488 61 C 4.8637 9.0065 119.7165 57.9729 31.6339 173.1864 62 V 4.4459 8.3808 123.3376 61.0096 33.0909 174.7540 63 Q 4.4064 8.4481 128.3074 54.8651 29.3271 174.5914 64 P 4.8650 0.0000 0.0000 61.6674 32.8484 174.0989 65 P 4.7723 0.0000 0.0000 62.7487 33.0708 174.5445 66 F 4.9456 8.9229 123.5663 56.7358 41.9717 173.7001 67 H 5.0358 8.1329 122.9139 54.0573 31.4511 172.8816 68 C 4.7471 8.3481 116.3533 57.3751 32.3818 173.5292 69 E 3.9703 8.9771 119.0066 57.6978 29.7797 177.5449 70 F 4.7694 8.6883 114.9150 56.5495 41.8588 176.1852 71 G 4.7902 9.2741 113.2569 46.7918 0.0000 175.9879 72 K 4.2720 7.9885 117.5848 58.3131 32.3721 178.0512 73 T 4.1433 8.0201 108.0658 62.5024 69.5476 173.5152 74 I 4.7188 7.6723 124.6219 60.0857 39.1121 174.5490 75 R 5.1168 8.6877 126.4010 54.3592 33.1677 174.8246 76 I 4.7110 8.3134 124.6951 59.4607 40.1218 176.6446 77 G 3.9119 8.6645 114.8687 45.9285 0.0000 172.2591 78 D 4.7575 8.8659 119.4134 54.5650 42.5651 176.5339 79 H 4.4486 8.6754 116.1731 56.7398 27.0733 174.5554 80 T 5.2152 8.2107 114.6975 61.7153 72.1915 173.9730 81 F 5.2477 9.2627 127.3733 56.4509 42.7942 173.5846 82 I 4.9611 8.0432 126.3327 59.0045 40.5720 173.0881 83 N 4.5844 9.0969 130.5132 53.1761 39.3478 175.5639 *85 N 4.9580 8.9125 112.7509 53.2988 40.5965 172.1640 86 V 4.3839 7.9530 116.3976 62.2225 33.6436 174.7086 87 V 4.9893 8.2874 125.6578 59.9443 35.7157 173.8084 *89 L 4.5158 8.2416 120.2454 54.1214 42.8532 177.9645 90 D 5.0177 8.4972 127.3697 52.4846 39.8732 177.8053 91 G 3.6573 8.6078 109.8107 48.9827 0.0000 173.6851 92 A 4.7701 7.4280 119.5322 48.9144 21.9787 175.1972 93 P 4.5550 0.0000 0.0000 63.0004 32.9468 175.6329 94 I 4.9262 8.7565 124.4147 59.8973 40.1903 174.5947 95 T 4.8861 9.1425 124.7381 61.8321 71.1486 173.2531 96 I 4.8352 8.6557 128.1462 59.4411 40.1973 176.7515 97 G 4.3147 8.6274 115.2260 45.7798 0.0000 172.7182 98 D 4.8159 9.1156 119.2973 54.5259 42.7356 176.5290 99 H 4.7100 8.5501 115.0493 56.1822 27.1783 174.6449 100 V 4.7690 7.5881 117.7440 61.7097 33.8823 174.4552 101 L 5.4259 9.0011 125.5745 53.1485 45.1879 175.4080 102 I 5.0174 9.0811 124.8873 59.6125 40.3051 176.0671 103 G 4.6033 8.7788 114.3302 43.9847 0.0000 171.1465 104 P 4.4870 0.0000 0.0000 64.1643 31.6767 177.4809 105 S 4.7964 8.8511 115.1011 59.0297 60.7851 172.0223 106 T 4.2663 7.4588 116.5141 63.9161 69.5196 173.2646 107 Q 5.2658 9.1558 123.6120 54.1229 32.3469 174.4651 108 F 4.8140 9.2556 122.1689 56.0938 41.3486 174.8984 109 Y 5.0062 8.6800 123.7230 56.5126 37.8082 175.9311 110 T 4.3035 9.0224 116.1527 63.9129 70.2046 174.8588 111 A 4.8869 8.0571 123.0591 51.9134 20.1228 176.1895 112 S 4.5015 8.6794 113.5497 57.8927 66.7617 171.9978 113 H 5.3297 8.3987 117.2836 53.6734 32.7340 173.6428 114 S 4.4118 8.6485 113.9054 58.1531 62.8472 174.1629 115 L 4.1233 8.3395 124.9177 56.5621 42.0007 176.7074 116 D 4.5680 8.0119 119.3899 53.3553 40.9505 176.1646 117 Y 4.1784 8.8132 127.0505 60.3441 37.6093 178.3530 118 R 3.5543 6.6382 118.4344 58.2330 29.9903 178.0287 119 R 4.5627 7.6658 116.1646 55.7861 30.9544 176.8757 120 R 4.7392 7.8581 116.5740 55.9366 31.7502 177.6289 121 Q 4.0483 8.2546 116.4615 57.9709 28.8704 176.6698 122 A 4.3958 8.0254 119.2962 51.1406 19.0761 176.4187 123 W 3.7484 8.5228 116.2221 58.7074 27.0968 174.7401 124 E 4.0155 8.3744 116.5617 57.5750 29.4133 176.8667 125 T 5.0202 8.1412 117.8274 62.1376 72.9439 173.1277 126 I 4.6981 8.7049 126.2542 59.6964 40.4548 174.1385 127 C 5.4212 8.8334 123.9711 57.8755 30.6147 172.6427 128 K 4.7672 8.8750 125.7412 53.6485 34.6975 173.9502 129 P 4.8372 0.0000 0.0000 62.8529 33.4481 174.7323 130 I 5.1805 8.4770 119.5245 59.5604 41.3018 174.8189 131 V 4.8474 8.7572 126.1854 61.1771 34.4337 173.9976 132 I 4.7678 9.0495 129.2902 59.6997 39.3250 175.7812 133 E 4.8075 8.6761 127.4268 55.0596 31.2412 176.1318 134 D 4.5271 8.6293 119.7030 55.8768 42.1685 177.2129 135 D 4.9922 8.8008 119.4385 55.1070 39.1482 173.5741 136 V 4.4172 7.6611 118.6362 62.1648 33.4705 174.4610 137 W 5.3765 9.3214 135.0000 56.0411 32.9426 174.0784 138 I 4.4177 9.4404 129.7746 59.8420 38.5579 176.7511 139 G 4.2181 8.2893 115.2314 45.1430 0.0000 173.2084 140 G 3.8439 8.6337 106.4168 46.0122 0.0000 173.3921 141 N 4.2902 8.8783 116.5796 54.1443 38.3978 173.5944 142 V 4.2113 7.3872 115.2984 61.8002 33.4240 174.5154 143 V 4.2888 8.5235 127.2612 61.1487 33.6455 174.3118 144 I 4.5257 7.9215 128.8064 59.5363 39.4697 175.4511 145 N 5.1349 8.5602 125.5120 51.9548 38.8881 175.1000 146 Q 4.0480 8.5831 117.7572 57.1680 30.0332 177.1582 147 G 3.8481 8.7058 108.5255 45.9842 0.0000 173.2136 148 V 4.5028 7.1541 119.9671 61.3690 33.7447 174.6700 149 T 5.1526 9.3778 124.2858 61.9330 71.4171 173.3744 150 I 4.5725 8.7524 127.7423 59.3361 38.3081 175.7230 151 G 4.1007 9.1750 115.4981 45.9040 0.0000 172.0380 152 A 4.2512 8.8592 123.4841 52.9275 19.5674 178.5251 153 R 4.4834 8.4718 117.4030 56.8425 28.4823 176.8170 154 S 4.8461 7.4938 114.0353 57.8167 65.1573 173.1938 155 V 4.8711 8.8465 120.8680 61.1866 34.9602 174.1850 156 V 4.6682 8.6409 127.2064 60.6774 33.6964 174.9266 157 A 4.2671 8.5537 129.6735 51.3324 19.5747 176.7704 158 A 4.0561 8.2529 122.7338 53.5843 18.9800 177.3199 159 N 4.6968 8.5434 117.6152 54.2441 38.4565 174.4883 160 S 4.6253 7.3041 112.0119 57.8517 64.7637 173.1274 161 V 4.6388 8.2797 122.2132 61.1827 33.9942 174.3562 162 V 4.3982 8.7317 128.7355 61.6963 32.3838 175.8588 163 N 4.7582 8.9063 124.6835 53.8702 39.8438 174.5983 164 Q 4.6754 7.5460 114.7622 53.6479 33.1759 174.3217 165 D 4.7052 8.7544 120.2370 55.2709 41.9685 176.4799 166 V 4.4045 8.7282 121.4021 60.3310 33.9749 173.4592 167 P 4.6964 0.0000 0.0000 61.7500 32.0242 174.5210 168 P 4.3127 0.0000 0.0000 63.2746 32.3236 175.5244 169 D 4.5695 8.8527 119.1775 56.0040 39.0200 173.5664 170 T 5.0940 8.0130 113.2414 61.7521 73.8148 173.7137 171 L 5.0613 8.7629 126.3556 53.5823 44.2207 175.6621 172 V 4.9054 8.3094 119.2122 59.9618 35.4742 174.8079 173 G 4.5320 9.2179 108.6997 45.9485 0.0000 172.3889 174 G 4.3080 8.9633 106.3196 44.5977 0.0000 173.0519 175 T 4.6178 7.8810 114.5957 60.6775 70.3911 172.5707 176 P 4.7355 0.0000 0.0000 61.8864 32.7111 176.0803 177 A 4.2871 8.5894 123.4773 52.3818 18.7976 177.3098 178 R 4.7085 9.6333 121.3239 53.9972 34.4087 175.1146 179 I 4.1136 8.2388 122.0471 61.7570 37.1659 175.6715 180 L 4.5168 9.1973 128.1491 56.4602 42.6172 177.1671 181 R 4.6169 7.4460 112.5222 55.0748 32.4562 173.8612 182 S 4.6230 8.6389 115.4561 58.1033 63.2768 173.5860 183 L 4.6692 8.7448 124.7673 54.2698 42.7229 176.6462 184 K 4.1060 7.5473 125.3198 56.6128 32.1151 176.2993 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 4 S 8.19 4.49 0.00 4.01 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 5 E 8.73 3.85 0.00 2.10 2.16 0.00 0.00 0.00 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 2.37 0.00 6 L 8.12 3.89 0.00 1.54 1.71 0.67 0.87 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 7 E 8.23 4.03 0.00 2.09 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 2.29 2.30 0.00 8 K 7.97 4.12 0.00 2.08 2.05 0.00 1.78 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.44 7.81 *10 L 7.90 4.23 0.00 1.73 1.70 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.62 4.43 0.00 1.84 1.77 0.00 1.87 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.38 7.81 12 G 8.35 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 0.00 0.00 0.00 13 E 7.94 4.69 0.00 1.99 1.91 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 2.26 2.41 0.00 14 H 8.38 4.53 0.00 3.18 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.61 4.87 0.00 3.13 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 16 D 9.22 4.59 0.00 2.79 2.73 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 0.00 0.00 0.00 17 G 8.65 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 18 A 8.08 4.43 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 19 S 8.18 4.28 0.00 4.12 3.79 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 20 A 8.76 4.09 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 21 E 8.15 3.91 0.00 2.02 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 2.39 2.40 0.00 22 I 7.68 3.64 2.09 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 1.03 0.00 0.00 23 E 8.84 4.11 0.00 2.02 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 2.42 2.50 0.00 24 A 8.25 3.99 1.43 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 0.00 0.00 0.00 25 L 8.01 4.04 0.00 2.00 2.01 0.97 0.88 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 26 R 8.17 4.18 0.00 2.08 2.14 0.00 3.08 0.00 0.00 2.89 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.36 0.00 27 S 8.03 4.12 0.00 4.03 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 28 Q 8.19 3.95 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 29 A 8.21 4.11 1.47 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 30 G 8.26 3.50 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 0.00 0.00 0.00 31 R 7.88 3.90 0.00 1.93 2.05 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 32 L 7.95 3.97 0.00 1.74 1.59 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.22 3.97 0.00 1.88 1.89 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.53 7.81 34 L 7.69 3.96 0.00 1.83 1.82 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.82 3.91 0.00 2.21 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 2.34 0.00 36 I 8.08 3.82 2.02 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.44 0.88 0.00 0.00 37 N 8.43 4.51 0.00 2.72 2.91 0.00 0.00 7.03 7.25 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 38 Q 7.54 4.50 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 39 S 7.44 4.50 0.00 3.95 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 40 L 8.43 4.38 0.00 1.67 1.68 0.93 1.02 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 41 D 7.73 4.71 0.00 2.72 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 42 E 8.74 3.92 0.00 2.09 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 2.37 2.41 0.00 43 A 8.35 4.12 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 44 E 8.21 3.86 0.00 2.19 2.12 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 2.37 2.39 0.00 45 R 8.14 3.89 0.00 1.92 1.97 0.00 3.25 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 46 Y 8.29 4.21 0.00 3.17 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 47 A 8.27 3.88 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 48 L 8.29 3.87 0.00 1.76 1.64 0.89 0.85 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 49 Q 8.30 3.47 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 1.92 2.21 0.00 50 R 7.37 3.76 0.00 1.74 1.85 0.00 3.01 0.00 0.00 3.06 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.25 0.00 51 E 7.29 3.99 0.00 1.91 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 2.26 2.26 0.00 52 L 7.54 3.91 0.00 1.51 0.93 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 53 F 6.29 5.71 0.00 3.01 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 54 G 8.50 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.02 4.97 0.00 3.24 3.10 0.00 5.85 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 56 L 7.89 4.72 0.00 1.66 1.32 0.90 0.81 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 57 G 9.01 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 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8.92 4.95 0.00 2.99 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 67 H 8.13 5.04 0.00 2.94 3.03 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.35 4.75 0.00 3.13 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 69 E 8.98 3.97 0.00 1.83 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 1.55 2.00 0.00 70 F 8.69 4.77 0.00 3.07 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 71 G 9.27 4.79 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 0.00 0.00 0.00 72 K 7.99 4.27 0.00 1.80 1.92 0.00 1.95 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.39 7.81 73 T 8.02 4.14 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 1.19 0.00 0.00 74 I 7.67 4.72 2.10 0.00 0.00 1.06 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 102 I 9.08 5.02 2.02 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.92 1.19 0.00 0.00 103 G 8.78 4.60 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 0.00 0.00 0.00 104 P 0.00 4.49 0.00 2.26 2.07 0.00 3.85 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 105 S 8.85 4.80 0.00 4.06 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 0.00 106 T 7.46 4.27 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 1.01 0.00 0.00 107 Q 9.16 5.27 0.00 1.17 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 108 F 9.26 4.81 0.00 2.83 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 0.00 109 Y 8.68 5.01 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 118 R 6.64 3.55 0.00 1.58 1.78 0.00 2.97 0.00 0.00 3.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.00 119 R 7.67 4.56 0.00 1.73 1.90 0.00 3.22 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 1.49 1.75 0.00 120 R 7.86 4.74 0.00 1.90 1.92 0.00 3.10 0.00 0.00 3.45 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 121 Q 8.25 4.05 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.40 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 122 A 8.03 4.40 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.52 3.75 0.00 3.43 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 0.00 124 E 8.37 4.02 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 125 T 8.14 5.02 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 1.46 0.00 0.00 126 I 8.70 4.70 1.90 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 1.18 1.06 0.97 0.00 0.00 127 C 8.83 5.42 0.00 2.85 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.87 4.77 0.00 1.74 1.77 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.36 7.81 129 P 0.00 4.84 0.00 2.17 2.22 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 130 I 8.48 5.18 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.77 1.09 0.00 0.00 131 V 8.76 4.85 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.95 0.00 0.00 132 I 9.05 4.77 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.06 1.01 0.00 0.00 133 E 8.68 4.81 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 2.35 2.55 0.00 134 D 8.63 4.53 0.00 2.63 2.66 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 0.00 135 D 8.80 4.99 0.00 2.94 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 0.00 136 V 7.66 4.42 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.12 0.00 0.00 137 W 9.32 5.38 0.00 3.38 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 0.00 138 I 9.44 4.42 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.46 0.84 0.00 0.00 139 G 8.29 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.63 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 0.00 0.00 0.00 141 N 8.88 4.29 0.00 2.95 2.80 0.00 0.00 7.17 7.63 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 0.00 142 V 7.39 4.21 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 0.71 0.00 0.00 0.95 0.00 0.00 143 V 8.52 4.29 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 0.59 0.00 0.00 0.80 0.00 0.00 144 I 7.92 4.53 1.18 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.24 0.78 0.00 0.00 145 N 8.56 5.13 0.00 2.80 2.79 0.00 0.00 7.10 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.58 4.05 0.00 2.40 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.97 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 147 G 8.71 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 7.15 4.50 2.21 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 0.99 0.00 0.00 1.01 0.00 0.00 149 T 9.38 5.15 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 1.27 0.00 0.00 150 I 8.75 4.57 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.64 0.92 0.00 0.00 151 G 9.18 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 0.00 152 A 8.86 4.25 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 0.00 153 R 8.47 4.48 0.00 2.14 2.10 0.00 3.13 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 154 S 7.49 4.85 0.00 3.97 3.87 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 0.00 155 V 8.85 4.87 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 0.51 0.00 0.00 1.14 0.00 0.00 156 V 8.64 4.67 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 0.76 0.00 0.00 0.85 0.00 0.00 157 A 8.55 4.27 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.25 4.06 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 0.00 159 N 8.54 4.70 0.00 2.83 2.88 0.00 0.00 7.18 7.09 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 0.00 160 S 7.30 4.63 0.00 3.85 3.73 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 0.00 0.00 0.00 161 V 8.28 4.64 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 0.89 0.00 0.00 162 V 8.73 4.40 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 0.86 0.00 0.00 0.83 0.00 0.00 163 N 8.91 4.76 0.00 2.72 2.84 0.00 0.00 6.93 7.69 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 0.00 164 Q 7.55 4.68 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 165 D 8.75 4.71 0.00 2.55 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 0.00 166 V 8.73 4.40 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 0.77 0.00 0.00 0.95 0.00 0.00 167 P 0.00 4.70 0.00 1.97 1.97 0.00 3.74 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 2.02 2.11 0.00 168 P 0.00 4.31 0.00 1.94 2.01 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 169 D 8.85 4.57 0.00 2.86 2.73 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 0.00 0.00 0.00 170 T 8.01 5.09 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 1.20 0.00 0.00 171 L 8.76 5.06 0.00 1.72 1.68 0.80 0.95 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 0.00 172 V 8.31 4.91 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 0.68 0.00 0.00 0.86 0.00 0.00 173 G 9.22 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 0.00 0.00 0.00 0.00 174 G 8.96 4.31 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 0.00 175 T 7.88 4.62 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 176 P 0.00 4.74 0.00 2.05 2.03 0.00 3.76 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 1.97 1.96 0.00 177 A 8.59 4.29 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 0.00 178 R 9.63 4.71 0.00 1.51 1.77 0.00 3.27 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 179 I 8.24 4.11 1.86 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 1.33 0.45 0.90 0.00 0.00 180 L 9.20 4.52 0.00 1.56 1.68 0.87 0.97 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 0.00 181 R 7.45 4.62 0.00 1.84 1.97 0.00 2.95 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 182 S 8.64 4.62 0.00 3.91 3.79 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 0.00 183 L 8.74 4.67 0.00 1.54 1.67 0.99 0.76 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 0.00 184 K 7.55 4.11 0.00 1.83 1.68 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.