NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 Q 4.4227 8.1876 119.1215 54.8757 30.9570 177.2298 8 W 4.1675 8.2565 116.9862 59.0245 27.9586 176.6864 9 I 3.0564 7.3846 121.4082 63.7618 36.8089 179.2676 10 E 4.0118 7.9194 119.0158 59.4074 29.2868 179.1172 11 I 3.4890 7.7518 119.8107 64.4633 37.1799 178.5037 12 L 3.9749 7.8249 119.4356 57.6813 41.4459 179.6886 13 R 3.9215 8.0435 118.1720 59.3415 29.9493 179.1997 14 I 3.3728 7.5848 119.6829 64.1798 36.9101 178.3598 15 Q 3.8352 8.0771 118.8656 58.9938 28.4973 178.9832 16 A 3.9575 7.9385 121.6449 54.9050 18.3513 179.4492 17 L 3.8416 7.9221 118.8760 58.5370 42.1926 179.0279 18 C 3.9598 8.1430 116.5696 62.6465 27.9233 175.9777 19 A 4.0435 8.1768 122.5082 55.2111 17.9716 179.7207 20 R 3.8658 8.2547 117.3679 59.4195 29.9802 177.8814 21 Y 4.0815 8.1827 119.6197 61.1475 38.6434 178.2582 22 C 4.3362 8.2310 116.9578 62.9441 28.1722 176.1577 23 L 4.0615 8.4555 121.2679 57.5813 40.8877 179.7311 24 T 3.9102 8.1375 110.0154 65.0099 68.8759 176.6490 25 I 3.3738 7.4701 122.4189 63.2377 37.7151 177.1270 26 N 4.6624 8.2934 115.7002 54.6884 38.4421 175.7077 27 T 4.4342 7.1067 109.7500 60.6922 69.0138 174.1087 28 Q 3.4164 7.6793 118.5000 57.6612 26.9747 174.9596 29 D 4.7695 7.9485 118.9916 52.9368 38.9272 175.8651 30 G 3.6220 8.0414 110.9650 46.9920 0.0000 171.8465 31 E 4.0747 8.3075 121.2961 59.2939 29.5077 179.0506 32 G 3.6387 8.2649 104.1989 47.4156 0.0000 175.2039 33 W 4.2580 8.8030 131.9519 59.8390 30.8618 177.9166 34 A 4.0130 8.5953 120.9977 55.1153 17.5821 179.3642 35 G 3.7639 8.1054 102.4585 46.9164 0.0000 174.3237 36 C 4.2173 8.2494 118.7939 61.0644 28.6355 173.4616 37 F 5.0813 7.6382 118.3273 55.4081 40.0687 175.7133 38 T 4.1122 8.4489 113.5926 61.3954 69.4152 174.9487 39 E 3.9184 9.0487 125.3299 59.6532 29.6330 178.5146 40 D 4.7244 7.9280 115.2833 52.7801 40.7120 178.5325 41 G 4.2528 8.1208 108.2473 46.8775 0.0000 173.1633 42 A 5.1722 8.8829 120.6366 49.8049 22.9419 174.8224 43 F 5.4710 8.9060 123.0689 56.3722 42.3202 173.5450 44 E 5.1217 9.0858 127.6955 54.2530 31.8767 174.5156 45 F 5.0064 8.5227 120.9282 55.5930 42.0118 173.6611 46 D 4.4892 10.2047 117.3044 55.2181 39.2673 174.7493 47 G 3.7645 8.2649 105.5619 44.3236 0.0000 173.3689 48 W 4.6401 7.8633 121.1561 55.5599 30.8794 175.4478 49 V 4.5175 8.8901 125.9373 61.5094 32.8559 174.4734 50 I 4.6969 8.8006 130.2693 59.8704 38.7334 174.6216 51 R 4.7638 8.8437 127.7786 55.4986 32.3044 176.0554 52 G 4.0739 9.3126 112.6801 46.1104 0.0000 174.4243 53 R 3.8532 8.4920 120.9331 58.6779 30.0943 177.7758 54 P 4.2246 0.0000 0.0000 65.6621 31.3325 178.5279 55 A 4.0802 7.9441 118.9701 55.0559 18.3219 179.4186 56 L 4.1371 8.3069 117.9978 58.0617 41.6095 179.6904 57 R 4.0254 8.6660 118.9275 59.5610 29.9822 178.3974 58 E 3.9639 8.1679 117.9144 59.4340 29.3619 178.6200 59 Y 4.0441 8.5088 119.6550 60.7615 38.8360 178.0768 60 A 3.3385 8.2041 121.6507 54.9938 18.1906 179.2191 61 D 4.1844 8.0059 116.2653 57.5066 41.0157 178.6828 62 A 4.0059 7.9394 121.1551 55.2126 18.3586 179.0154 63 H 3.6951 7.9430 116.8144 59.3958 29.6441 177.3381 64 A 3.9679 7.7825 121.0695 55.1351 18.1718 179.5269 65 R 4.0013 7.3783 115.6863 58.3621 30.1994 177.7656 66 V 4.2994 7.6190 108.5656 60.1852 33.6798 175.5647 67 V 4.3729 7.5072 118.9499 60.7204 34.0591 174.5698 68 R 4.6291 9.0969 124.6497 53.2780 33.4293 175.5636 69 G 4.1524 7.4020 107.6517 45.6398 0.0000 170.8447 70 R 4.8611 7.7279 117.5683 54.6851 33.4034 174.9268 71 H 4.9760 9.9965 121.4141 54.5833 30.1297 174.4855 72 L 4.7133 8.9397 124.6292 53.4494 43.6344 175.6997 73 T 5.2115 8.7068 120.7306 62.1115 70.8966 173.3406 74 T 4.6587 8.4424 115.8491 59.8048 73.0341 172.9342 75 D 4.4943 8.5241 117.1757 55.4109 37.8234 174.1152 76 L 4.7547 7.9859 118.5633 54.6705 42.8737 177.5609 77 L 4.6414 9.0361 125.9499 53.6152 44.4755 174.3678 78 Y 5.0116 8.6402 122.8306 55.9424 41.6327 174.9626 79 E 4.7147 9.2135 122.1512 54.5490 32.4935 175.2713 80 V 4.6441 8.4667 123.8301 60.9534 33.8628 174.3050 81 D 4.6861 8.8665 126.0817 53.0016 43.7821 176.4206 82 G 3.8528 8.4484 118.9286 47.3148 0.0000 172.6921 83 D 4.6841 8.8647 123.6775 53.5330 41.0472 175.3143 84 V 5.3728 7.9956 112.1305 59.9040 35.9036 174.5743 85 A 5.2844 9.2224 123.8799 50.8954 23.0065 175.2119 86 T 5.0594 8.5639 109.3841 60.1585 73.0448 173.0996 87 G 3.3086 7.8740 108.1197 46.2087 0.0000 172.0370 88 R 5.7527 7.7612 117.2950 53.5741 34.7316 174.9819 89 S 5.2529 8.6297 113.6055 56.8637 66.9688 172.7521 90 A 4.7328 8.9291 123.3923 51.5187 20.2528 176.3591 91 S 5.0867 9.0115 115.8508 56.3694 65.5090 172.9179 92 V 4.8370 8.6358 126.5057 61.0234 34.6876 174.0752 93 V 4.8540 8.8888 127.8242 61.3529 34.3906 174.9760 94 T 5.0470 8.8223 118.4827 60.5914 71.7340 173.2560 95 L 5.1898 8.7585 122.9023 53.4365 45.8742 174.6418 96 A 4.6977 9.1710 129.4666 51.7088 19.1099 176.8174 97 T 4.5762 8.3977 111.9585 59.2771 71.8924 175.0305 98 A 3.9155 8.5663 124.0744 54.2697 18.4177 178.1577 99 A 4.3830 7.6072 117.3148 51.2338 19.8211 175.2073 100 G 3.5055 7.4411 102.5200 44.1260 0.0000 172.3210 101 Y 4.8215 8.1958 117.1210 57.5054 38.5794 175.1362 102 K 4.7732 8.9418 123.6330 54.4329 36.6622 175.4286 103 I 4.4446 8.2049 122.5227 60.6431 36.8907 175.8118 104 L 4.2047 8.9656 131.3922 57.5521 42.6636 177.2962 105 G 4.3780 7.8444 103.7280 44.9242 0.0000 171.8699 106 S 4.9429 8.2272 116.1197 56.9740 66.0818 173.5385 107 G 3.9006 8.2046 114.6947 45.7259 0.0000 170.5394 108 E 4.9883 8.1096 120.0351 54.6042 33.1948 175.7753 109 Y 5.2201 8.8451 124.6885 57.5346 40.0006 174.4799 110 Q 4.9485 9.4484 122.5580 54.4032 31.8351 174.2820 111 D 5.6295 9.2233 124.1099 52.3786 45.1684 175.0452 112 R 4.7957 9.3739 122.0554 54.6434 33.0001 174.2686 113 L 5.5214 9.3951 125.9807 53.1135 45.7281 175.5094 114 I 5.1305 8.8568 121.6420 59.5225 41.3483 174.3502 115 K 4.0192 8.4082 131.0900 55.3804 32.7829 176.3297 116 Q 4.3717 8.3921 126.3913 54.3990 31.2516 172.0239 117 D 4.1254 9.8108 124.0843 54.5331 38.5212 174.4345 118 G 3.9628 8.3031 106.4509 44.7554 0.0000 173.5765 119 Q 4.6060 7.6734 118.5636 53.5430 32.0320 175.1765 120 W 4.6921 8.7256 123.6724 56.8508 30.0602 175.7453 121 R 4.8019 9.0563 121.7097 54.6252 35.0633 174.1797 122 I 4.2341 8.6174 122.2871 60.9461 37.7432 176.8963 123 A 4.1676 8.8524 129.5943 54.0328 19.9841 176.5568 124 Y 5.2066 8.4384 116.3488 56.2910 42.9509 173.7735 125 R 5.3455 9.3141 126.6956 53.6565 33.2631 173.6373 126 R 5.0985 9.4036 128.0148 54.8498 32.0193 174.3341 127 L 5.2313 9.0042 131.8583 54.3794 43.7096 176.1854 128 R 4.7063 9.0063 127.1754 55.2341 31.9330 171.6143 129 N 5.1160 8.7891 122.2224 51.3112 40.0264 175.1987 130 D 4.5622 9.1568 122.9191 54.6683 41.4734 176.2262 131 R 4.7163 8.3194 120.4784 53.7105 33.6458 175.7636 132 L 4.1536 8.2155 119.7548 54.7551 42.1617 179.2020 133 V 3.6570 8.4984 122.9164 64.2219 31.5000 176.9855 134 S 4.5627 7.9004 114.4823 58.6954 64.0447 174.9541 135 D 4.7272 7.5147 116.5346 52.4825 42.4099 179.4931 136 P 4.5032 0.0000 0.0000 64.6249 31.8309 179.1437 *137 S 4.3417 8.0376 118.4218 61.1198 62.8328 181.1027 138 V 3.6828 7.5241 117.5974 60.5121 31.5031 178.1894 139 A 4.2936 8.5228 127.8911 50.6368 18.4759 178.3522 140 V 3.6729 8.4568 123.8571 66.3787 31.8855 177.7025 141 N 4.5693 8.2087 115.3263 54.6758 37.2451 175.5918 142 V 4.1554 7.2653 110.4773 61.2693 32.4815 176.7810 143 A 4.0851 7.9031 123.5480 54.6618 18.6150 178.2176 144 D 4.6908 7.8983 114.6851 53.3026 42.8100 177.0660 145 A 4.0518 8.5036 128.3687 55.1365 18.2995 179.3202 146 D 4.3482 8.1115 117.1065 57.8228 40.9618 179.4738 147 V 3.6774 7.9197 117.6614 65.8658 31.5683 177.5218 148 A 3.9908 8.4253 120.8224 55.2607 18.1690 179.4950 149 A 3.8991 7.7245 118.0235 55.1837 18.4571 180.0707 150 V 3.5566 7.3444 116.8399 66.1376 31.5700 178.1836 151 V 3.7550 8.0323 118.2390 66.1541 31.2025 178.0178 152 G 3.6754 8.3070 105.3287 48.3617 0.0000 175.3028 153 H 4.2031 8.2075 118.6553 58.5465 28.6308 178.0111 154 L 4.1619 8.1320 120.8979 57.6776 41.4521 179.2736 155 L 4.0382 8.4846 120.4411 58.0411 42.0521 178.8370 156 A 3.8388 8.3403 120.7881 55.0283 18.2944 179.4547 157 A 3.9586 8.2448 119.0401 55.3228 18.5198 179.6986 158 A 4.0068 8.4584 119.4467 55.4370 18.1421 180.1395 159 R 2.5100 7.3412 115.6856 58.7796 30.0331 179.1635 160 R 4.0398 7.7783 117.0513 58.0995 30.2044 177.1636 161 L 4.6235 7.7204 116.3657 54.6051 43.4531 176.1194 162 G 4.5975 8.2146 105.0207 44.5786 0.0000 171.7889 163 T 5.1122 9.0155 110.6737 60.2256 72.3296 175.0368 164 Q 3.8686 7.8075 121.3594 53.7282 27.0919 176.4400 165 M 3.5250 7.5885 123.1017 55.9272 32.1937 177.5076 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 7 Q 8.19 4.42 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.86 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 8 W 8.26 4.17 0.00 3.67 3.32 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 9 I 7.38 3.06 1.36 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 -0.30 -0.00 0.61 0.00 0.00 10 E 7.92 4.01 0.00 2.07 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 2.43 2.50 0.00 11 I 7.75 3.49 2.06 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.90 0.91 0.00 0.00 12 L 7.82 3.97 0.00 1.80 1.70 1.18 0.92 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 13 R 8.04 3.92 0.00 2.04 2.14 0.00 3.44 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 14 I 7.58 3.37 1.48 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.36 -0.08 0.00 0.00 15 Q 8.08 3.84 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 16 A 7.94 3.96 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 17 L 7.92 3.84 0.00 1.74 1.74 0.88 0.73 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 18 C 8.14 3.96 0.00 3.09 2.91 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 19 A 8.18 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 20 R 8.25 3.87 0.00 2.00 2.07 0.00 3.12 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 21 Y 8.18 4.08 0.00 2.99 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 22 C 8.23 4.34 0.00 3.28 3.20 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 23 L 8.46 4.06 0.00 1.70 1.74 0.94 0.62 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 24 T 8.14 3.91 4.58 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 1.28 0.00 0.00 25 I 7.47 3.37 0.95 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.59 0.64 0.00 0.00 26 N 8.29 4.66 0.00 2.82 2.88 0.00 0.00 6.90 7.81 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 27 T 7.11 4.43 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 1.29 0.00 0.00 28 Q 7.68 3.42 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.25 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 29 D 7.95 4.77 0.00 2.78 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 30 G 8.04 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 31 E 8.31 4.07 0.00 2.07 2.14 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 2.40 2.41 0.00 32 G 8.26 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 33 W 8.80 4.26 0.00 3.39 3.36 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 34 A 8.60 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 35 G 8.11 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.25 4.22 0.00 2.77 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 37 F 7.64 5.08 0.00 3.00 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 38 T 8.45 4.11 4.27 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 1.25 0.00 0.00 39 E 9.05 3.92 0.00 2.07 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 2.39 0.00 40 D 7.93 4.72 0.00 2.72 2.49 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 41 G 8.12 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 0.00 0.00 0.00 0.00 42 A 8.88 5.17 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 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.91 5.47 0.00 3.00 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 44 E 9.09 5.12 0.00 2.00 1.83 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 2.16 2.19 0.00 45 F 8.52 5.01 0.00 3.21 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 46 D 10.20 4.49 0.00 2.93 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 47 G 8.26 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 7.86 4.64 0.00 3.04 3.06 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 49 V 8.89 4.52 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 0.91 0.00 0.00 0.97 0.00 0.00 50 I 8.80 4.70 1.95 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 1.18 0.55 0.99 0.00 0.00 51 R 8.84 4.76 0.00 1.77 1.78 0.00 3.26 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.77 0.00 52 G 9.31 4.07 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 0.00 53 R 8.49 3.85 0.00 2.04 2.01 0.00 3.31 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 54 P 0.00 4.22 0.00 2.17 2.11 0.00 3.53 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 55 A 7.94 4.08 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 56 L 8.31 4.14 0.00 1.69 1.58 0.09 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.67 4.03 0.00 1.97 2.10 0.00 3.13 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 58 E 8.17 3.96 0.00 2.28 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 2.56 2.49 0.00 59 Y 8.51 4.04 0.00 3.14 3.31 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 60 A 8.20 3.34 1.18 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 61 D 8.01 4.18 0.00 2.78 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 62 A 7.94 4.01 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 63 H 7.94 3.70 0.00 2.44 3.01 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.78 3.97 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 65 R 7.38 4.00 0.00 1.85 1.91 0.00 3.04 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 66 V 7.62 4.30 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 0.44 0.00 0.00 0.87 0.00 0.00 67 V 7.51 4.37 1.75 0.00 0.00 0.00 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 0.71 0.00 0.00 68 R 9.10 4.63 0.00 1.84 1.78 0.00 3.48 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 69 G 7.40 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.73 4.86 0.00 1.69 1.80 0.00 3.27 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 71 H 10.00 4.98 0.00 3.11 3.50 0.00 5.83 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 72 L 8.94 4.71 0.00 1.70 1.61 0.92 0.74 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 73 T 8.71 5.21 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 74 T 8.44 4.66 4.26 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 1.24 0.00 0.00 75 D 8.52 4.49 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.99 4.75 0.00 1.61 1.84 0.97 0.88 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 77 L 9.04 4.64 0.00 1.65 1.36 0.91 0.96 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 78 Y 8.64 5.01 0.00 2.72 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 79 E 9.21 4.71 0.00 1.86 1.83 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 2.20 2.17 0.00 80 V 8.47 4.64 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 0.97 0.00 0.00 0.68 0.00 0.00 81 D 8.87 4.69 0.00 2.76 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 82 G 8.45 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 83 D 8.86 4.68 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.00 5.37 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 0.79 0.00 0.00 1.10 0.00 0.00 85 A 9.22 5.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.56 5.06 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 1.24 0.00 0.00 87 G 7.87 3.31 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 88 R 7.76 5.75 0.00 1.58 1.69 0.00 3.07 0.00 0.00 3.23 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.26 0.00 89 S 8.63 5.25 0.00 4.15 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 90 A 8.93 4.73 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 91 S 9.01 5.09 0.00 2.72 3.13 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 92 V 8.64 4.84 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 1.02 0.00 0.00 0.92 0.00 0.00 93 V 8.89 4.85 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 0.90 0.00 0.00 0.92 0.00 0.00 94 T 8.82 5.05 4.26 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 1.18 0.00 0.00 95 L 8.76 5.19 0.00 1.75 1.52 0.97 1.10 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 96 A 9.17 4.70 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 97 T 8.40 4.58 4.21 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 1.27 0.00 0.00 98 A 8.57 3.92 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 99 A 7.61 4.38 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 0.00 100 G 7.44 3.51 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 0.00 0.00 0.00 101 Y 8.20 4.82 0.00 3.02 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.94 4.77 0.00 1.65 1.69 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.53 7.81 103 I 8.20 4.44 1.89 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 1.24 0.52 1.00 0.00 0.00 104 L 8.97 4.20 0.00 1.64 1.86 0.95 1.26 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 0.00 105 G 7.84 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 0.00 0.00 0.00 0.00 106 S 8.23 4.94 0.00 3.86 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 0.00 107 G 8.20 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 0.00 108 E 8.11 4.99 0.00 1.98 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 109 Y 8.85 5.22 0.00 3.00 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 0.00 110 Q 9.45 4.95 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 111 D 9.22 5.63 0.00 2.76 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 0.00 112 R 9.37 4.80 0.00 1.86 1.87 0.00 3.09 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 113 L 9.40 5.52 0.00 1.74 1.88 0.57 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.86 5.13 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 0.84 0.00 0.00 115 K 8.41 4.02 0.00 0.79 0.85 0.00 1.06 0.00 0.00 1.43 0.00 0.00 2.66 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.67 0.21 7.81 116 Q 8.39 4.37 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 5.93 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 117 D 9.81 4.13 0.00 2.67 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 0.00 118 G 8.30 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 0.00 0.00 0.00 119 Q 7.67 4.61 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.96 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 120 W 8.73 4.69 0.00 3.13 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 0.00 121 R 9.06 4.80 0.00 1.69 1.71 0.00 3.09 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 122 I 8.62 4.23 0.95 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.45 0.77 0.00 0.00 123 A 8.85 4.17 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 0.00 124 Y 8.44 5.21 0.00 3.07 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.31 5.35 0.00 1.90 2.01 0.00 2.56 0.00 0.00 2.25 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.55 0.00 126 R 9.40 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0.00 0.00 0.00 0.00 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 7.51 4.73 0.00 2.60 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.50 0.00 2.17 2.20 0.00 3.73 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 1.99 1.96 0.00 *137 S 8.04 4.34 0.00 3.65 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 0.00 138 V 7.52 3.68 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 0.85 0.00 0.00 0.93 0.00 0.00 139 A 8.52 4.29 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 0.00 140 V 8.46 3.67 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.95 0.00 0.00 141 N 8.21 4.57 0.00 2.97 2.98 0.00 0.00 5.94 7.68 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 0.00 142 V 7.27 4.16 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 0.73 0.00 0.00 1.04 0.00 0.00 143 A 7.90 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 0.00 144 D 7.90 4.69 0.00 2.73 2.55 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 0.00 145 A 8.50 4.05 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 0.00 146 D 8.11 4.35 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.92 3.68 2.25 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 1.13 0.00 0.00 0.95 0.00 0.00 148 A 8.43 3.99 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.72 3.90 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 0.00 150 V 7.34 3.56 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 0.97 0.00 0.00 0.96 0.00 0.00 151 V 8.03 3.75 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 1.15 0.00 0.00 1.07 0.00 0.00 152 G 8.31 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 0.00 153 H 8.21 4.20 0.00 3.44 3.33 0.00 5.82 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 0.00 154 L 8.13 4.16 0.00 2.00 1.95 0.94 0.32 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 0.00 155 L 8.48 4.04 0.00 1.94 1.84 0.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.34 3.84 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 0.00 157 A 8.24 3.96 1.53 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 0.00 158 A 8.46 4.01 1.06 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 0.00 159 R 7.34 2.51 0.00 1.50 1.40 0.00 2.96 0.00 0.00 2.96 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.75 0.00 160 R 7.78 4.04 0.00 1.90 1.96 0.00 3.10 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 161 L 7.72 4.62 0.00 1.68 1.78 1.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 162 G 8.21 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 0.00 163 T 9.02 5.11 4.29 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 1.31 0.00 0.00 164 Q 7.81 3.87 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.21 0.00 0.00 0.00 0.00 0.00 2.19 1.88 0.00 165 M 7.59 3.52 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.