NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5594 8.3044 118.7633 54.4403 34.2901 175.7291 2 D 4.6097 7.3858 119.8383 52.9467 39.4413 174.5404 3 F 5.1292 8.9582 120.9048 56.8029 41.3859 175.1908 4 R 4.9401 9.3046 119.7245 54.7395 34.8212 174.1492 5 I 5.0027 8.4975 115.0174 59.2668 41.0147 174.4196 6 G 4.4188 9.1749 110.4111 44.6833 0.0000 171.2312 7 Q 5.2497 8.5493 117.1799 54.4698 32.6342 174.0582 8 G 4.4827 9.0408 106.5651 45.1479 0.0000 170.9806 9 Y 5.3946 8.5459 122.7354 55.8989 42.3374 173.6959 10 D 4.6516 8.1459 123.8829 52.9945 45.2865 174.1734 11 V 4.7951 7.8326 122.4968 60.5589 34.7137 173.8914 12 H 4.9988 8.8910 118.7949 54.0012 33.4293 172.9565 13 Q 4.6266 8.7151 119.7545 56.0811 30.2125 175.0555 14 L 4.9926 8.5230 123.2258 53.7134 42.7900 176.4895 15 V 4.7213 9.0492 117.4916 58.5736 35.8198 173.6715 16 P 4.5922 0.0000 0.0000 63.6594 32.1613 176.8711 17 G 3.9444 9.0997 109.0219 45.4148 0.0000 173.4264 18 R 4.6316 7.4101 118.2216 53.4474 32.3097 174.1866 19 P 4.5224 0.0000 0.0000 62.6489 33.3904 174.7994 20 L 4.5176 8.4393 123.5370 54.2633 43.1203 175.2690 21 I 5.0488 8.3010 126.7700 59.6855 40.8248 174.7192 22 I 4.7843 8.1209 127.7991 60.4360 40.0605 176.2542 23 G 3.5912 9.8252 112.6977 46.5783 0.0000 175.2832 24 G 3.8674 8.9508 107.2229 45.0604 0.0000 174.4190 25 V 3.9580 7.4179 120.9313 61.7716 32.2206 174.7278 26 T 4.5378 8.4350 124.5617 63.3210 68.9212 173.9953 27 I 4.2637 8.6226 128.7158 58.5907 38.7627 174.2761 28 P 4.3182 0.0000 0.0000 63.3054 31.5643 175.3900 29 Y 4.6292 8.1913 126.0210 58.0899 41.0516 173.5947 30 E 4.1399 7.8777 120.3965 56.9973 30.2015 176.2356 31 R 4.8906 7.1127 115.2176 55.7505 35.0107 173.7828 32 G 4.4374 9.1842 106.6755 44.6090 0.0000 171.5020 33 L 4.9445 8.4102 119.4374 54.0798 42.7033 176.5671 34 L 4.4821 8.4730 125.8143 53.9637 43.0747 175.8719 35 G 4.0366 8.3102 115.5547 45.9043 0.0000 173.5920 *36 H 4.3789 8.9758 116.4047 56.9845 28.8014 175.4287 37 S 4.8282 7.6917 119.2605 58.3893 63.0934 174.3369 38 D 4.4030 8.3958 118.3221 53.2881 39.6480 176.2457 39 A 3.3658 7.7186 121.6582 53.3189 16.6238 178.3463 40 D 4.6392 8.1943 121.8207 54.9309 40.9475 175.7387 41 V 3.8659 8.0221 129.5653 63.9530 31.4828 177.9737 42 L 3.8745 7.8082 120.3901 57.9704 42.0609 178.7238 43 L 4.0116 8.0404 118.8387 57.9848 41.4525 179.2244 44 H 4.2428 8.4079 115.9861 58.8637 28.6350 177.5527 45 A 4.0242 7.9309 122.3656 55.3779 18.2246 179.7157 46 I 3.6273 7.8088 118.1612 64.7569 37.0679 178.7019 47 T 3.6933 8.2490 116.8918 66.7238 68.2359 176.1997 48 D 4.5225 8.3574 120.4360 57.5807 40.8685 178.7524 49 A 4.2234 8.1330 122.5407 54.5652 18.2498 179.7900 50 L 3.8323 7.9898 117.3979 57.9639 41.7688 179.6401 51 F 4.5090 8.2272 118.2149 60.4607 38.8092 178.0567 52 G 3.5797 8.5609 105.4988 47.6778 0.0000 175.3882 53 A 4.1622 8.1371 123.5620 53.9438 18.4575 178.7815 54 A 3.1594 7.4422 114.8101 50.6632 19.5647 176.7679 55 A 3.7097 7.6028 119.4452 53.6293 16.6208 177.8832 56 L 4.6823 8.7007 116.4225 55.3051 43.3242 178.1141 57 G 4.0012 9.0142 110.0673 45.7301 0.0000 175.8296 58 D 4.8150 8.0118 126.5267 50.8087 43.5026 175.1463 59 I 4.1075 9.1946 119.2103 64.2272 37.6034 178.0098 60 G 3.6041 8.1472 105.5859 47.4574 0.0000 175.0991 61 R 3.8887 7.9009 120.3030 59.5111 30.1030 177.6959 62 H 4.0915 7.2181 112.6993 58.4873 29.4559 174.5337 63 F 5.0912 8.0269 117.6004 56.1021 43.0340 173.5493 *73 A 4.0502 8.4684 120.1672 52.4224 20.4102 176.0216 74 D 4.5517 8.5628 122.6795 54.2882 41.8295 177.3320 75 S 4.1870 9.4870 123.7062 61.3537 62.6809 177.0104 76 R 3.8841 8.1956 121.1472 59.0859 29.7840 178.7658 77 A 3.9408 8.0072 120.1003 55.0408 18.4082 179.5048 78 L 3.2376 7.6285 117.2971 57.4909 41.5417 179.3991 79 L 3.8715 8.1580 120.6247 58.3371 41.9482 179.2850 80 R 3.8881 8.2267 118.2676 59.2053 29.8893 178.7281 81 E 4.0007 8.3610 119.2039 59.2329 29.6722 178.1584 82 C 4.0944 8.7696 119.0721 62.6651 31.4692 175.5328 83 A 3.9506 8.1287 122.2268 55.1391 17.9343 179.3983 84 S 4.0728 8.3832 111.8970 61.8144 62.4295 176.7720 85 R 4.0334 8.4152 120.8900 59.0879 29.9453 179.1011 86 V 3.7117 8.4192 118.3629 66.1167 31.5226 177.9543 87 A 4.5299 8.4068 122.1872 54.8174 17.9824 179.4308 88 Q 3.9728 8.1295 117.0484 58.9902 29.2521 177.6663 89 A 4.2740 8.1409 120.4026 53.1181 18.5976 178.0405 90 G 3.7999 8.0737 106.6123 44.7661 0.0000 172.6302 91 F 5.2650 8.1736 117.7146 55.4671 41.5522 174.5972 92 A 4.8448 8.9588 124.9338 50.4967 21.1840 176.1941 93 I 4.1756 8.3379 122.6541 61.4605 37.4842 175.9766 94 R 4.5455 8.9403 126.6563 58.1112 31.3918 176.3675 95 N 5.0235 7.6576 113.1548 52.0417 40.6772 173.5901 96 V 4.9621 8.5628 119.5125 61.3021 34.9742 173.8152 97 D 5.5221 9.0370 126.0055 51.7490 45.2278 173.9358 98 S 5.0548 8.0170 113.9421 58.2191 66.0908 174.3457 99 T 4.9290 8.6705 116.9300 62.0575 72.8114 172.9126 100 I 4.7450 9.0227 126.8831 59.6605 39.9882 174.5983 101 I 5.0493 8.7535 127.8290 59.6446 39.2851 174.5815 102 A 4.7677 8.7753 128.4805 50.5165 22.2839 176.9433 103 Q 3.8290 8.9293 122.6222 58.8444 29.5558 175.8124 104 A 4.4601 7.2808 117.2122 50.3202 21.8915 173.6926 105 P 4.4172 0.0000 0.0000 61.7431 33.0727 176.3749 106 K 3.9807 8.4208 119.8332 55.3057 31.6398 173.3964 107 L 4.4542 8.4643 123.9081 54.8084 42.0352 178.5277 108 A 3.9781 8.0554 121.0574 55.0422 17.9999 177.6370 109 P 4.2607 0.0000 0.0000 64.7268 31.7486 177.2419 110 H 4.8218 8.1937 114.1617 55.5468 29.7553 176.3768 111 I 3.6786 7.4496 122.8790 64.6253 37.0276 177.8645 112 D 4.3302 8.1252 118.8659 57.2798 40.6537 178.6371 113 A 4.0102 7.9281 120.8226 55.2651 18.4835 179.3460 114 M 4.2160 7.9017 118.4048 58.0346 32.0216 178.7109 115 R 3.8662 8.1459 118.6224 59.6416 30.1879 178.3361 116 A 3.9735 8.0745 120.2520 55.1248 18.2719 179.3485 117 N 4.2753 8.2483 114.9793 56.5389 38.5623 177.7563 118 I 3.6543 7.8430 120.8578 64.2119 37.1233 178.1355 119 A 3.9594 8.1882 121.5725 55.1987 18.2585 179.4480 120 A 3.9198 7.9944 118.9246 55.6869 18.3067 179.7454 121 D 4.3441 8.2277 116.0751 56.8744 40.9647 178.1275 122 L 4.2625 8.1315 117.4087 53.6157 42.9497 175.6397 123 D 4.3583 7.7566 117.5165 55.6747 39.8753 172.7053 124 L 4.8799 7.9712 117.5975 51.8987 45.4132 175.5845 125 P 4.5115 0.0000 0.0000 62.2655 32.4014 177.1364 126 L 3.9370 8.7099 119.7933 58.3256 41.5517 178.9343 127 D 4.6062 8.0669 113.9425 54.4498 39.5989 176.3260 128 R 4.6888 8.1909 118.4592 55.9335 31.9169 174.9652 129 V 4.9575 7.8924 118.7426 61.1494 34.3275 174.4258 130 N 5.0856 9.1512 125.0945 51.8621 42.6829 172.9239 131 V 4.6949 8.3497 124.2104 59.9600 34.4021 174.5245 132 K 4.8594 8.9825 126.0088 54.4967 35.9347 174.8274 133 A 5.2084 8.4623 122.8136 50.2362 22.0282 175.6851 134 K 4.7449 9.1819 120.6443 54.6558 36.6087 176.5684 135 T 4.7654 8.4605 113.7851 60.4475 70.7052 173.4671 136 N 4.7208 8.5449 116.6595 52.7966 39.0470 174.2406 137 E 3.5977 8.9398 115.9688 57.6138 27.6386 176.5503 138 K 3.9878 8.1948 115.3587 54.8633 29.8846 177.7148 139 L 4.4849 7.7274 119.4061 55.2277 43.3786 178.5579 140 G 4.2311 8.4543 110.8061 45.5628 0.0000 173.2070 141 Y 4.3014 8.0780 115.3820 60.0039 37.8486 178.1310 142 L 4.0455 7.0019 120.6858 57.6727 41.6105 179.4686 143 G 3.6404 7.9138 104.3730 47.3625 0.0000 174.9630 144 R 4.4051 7.9155 117.7223 55.2862 30.4022 176.5181 145 G 4.0155 7.9599 106.7687 46.7559 0.0000 175.3804 146 E 4.1821 8.9850 122.2625 58.4105 29.8744 176.8388 147 G 4.5995 7.6356 104.9394 44.8222 0.0000 171.5341 148 I 4.8113 8.5610 118.8307 59.4130 41.0132 174.7458 149 E 5.0385 8.8919 126.5510 54.4031 32.5960 174.3787 150 A 5.2815 8.9032 125.9414 50.2999 23.0420 174.9937 151 Q 5.2277 9.0451 117.4738 54.3472 33.3101 174.4670 152 A 5.2133 9.1500 122.3464 50.6742 23.3921 174.9800 153 A 5.2263 9.1428 120.3824 50.2012 23.0284 175.2246 154 A 5.0582 8.9830 121.7722 50.0633 23.0411 174.6632 155 L 5.1589 8.7187 123.2626 53.4675 44.8157 175.7454 156 V 5.2855 8.9671 118.4259 59.6565 36.7235 174.5937 157 V 4.7939 8.7942 120.3610 60.1015 34.8038 174.6588 158 R 4.2334 9.0087 125.6230 55.4862 30.2477 176.1476 159 E 4.0521 8.6011 125.9377 56.6674 29.4099 176.9818 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 M 8.30 4.56 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 D 7.39 4.61 0.00 2.84 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.96 5.13 0.00 3.01 2.95 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 0.00 4 R 9.30 4.94 0.00 1.59 1.75 0.00 3.30 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 5 I 8.50 5.00 1.88 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 1.29 1.24 0.93 0.00 0.00 6 G 9.17 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 0.00 0.00 0.00 0.00 7 Q 8.55 5.25 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 8 G 9.04 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.55 5.39 0.00 2.92 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 10 D 8.15 4.65 0.00 2.76 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 0.00 0.00 0.00 0.00 11 V 7.83 4.80 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 0.81 0.00 0.00 1.06 0.00 0.00 12 H 8.89 5.00 0.00 3.06 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.72 4.63 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 14 L 8.52 4.99 0.00 1.73 1.70 1.03 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 V 9.05 4.72 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 0.79 0.00 0.00 1.00 0.00 0.00 16 P 0.00 4.59 0.00 2.05 2.00 0.00 3.78 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 1.95 0.00 17 G 9.10 3.94 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 0.00 0.00 0.00 18 R 7.41 4.63 0.00 1.80 1.84 0.00 3.37 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 19 P 0.00 4.52 0.00 2.11 2.17 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 20 L 8.44 4.52 0.00 2.16 1.86 0.91 0.72 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 21 I 8.30 5.05 1.83 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 1.32 1.04 0.87 0.00 0.00 22 I 8.12 4.78 1.81 0.00 0.00 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 1.18 0.69 0.87 0.00 0.00 23 G 9.83 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.95 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 0.00 0.00 0.00 25 V 7.42 3.96 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 0.95 0.00 0.00 1.00 0.00 0.00 26 T 8.44 4.54 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 27 I 8.62 4.26 1.76 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.56 0.72 0.00 0.00 28 P 0.00 4.32 0.00 1.99 2.06 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 29 Y 8.19 4.63 0.00 2.79 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 30 E 7.88 4.14 0.00 2.03 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 2.23 1.90 0.00 31 R 7.11 4.89 0.00 1.66 1.96 0.00 3.17 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.42 0.00 32 G 9.18 4.44 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 0.00 33 L 8.41 4.94 0.00 1.49 1.57 0.92 0.96 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 34 L 8.47 4.48 0.00 1.64 1.59 0.93 1.23 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 35 G 8.31 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 0.00 0.00 0.00 *36 H 8.98 4.38 0.00 2.94 3.00 0.00 7.20 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.69 4.83 0.00 4.21 3.83 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 38 D 8.40 4.40 0.00 2.78 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 39 A 7.72 3.37 1.15 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 40 D 8.19 4.64 0.00 2.78 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 0.00 0.00 0.00 0.00 41 V 8.02 3.87 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 0.82 0.00 0.00 1.00 0.00 0.00 42 L 7.81 3.87 0.00 1.74 1.80 0.90 0.64 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 43 L 8.04 4.01 0.00 1.74 1.69 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.41 4.24 0.00 3.44 3.38 0.00 5.65 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 45 A 7.93 4.02 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 46 I 7.81 3.63 1.85 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 1.51 0.76 0.87 0.00 0.00 47 T 8.25 3.69 4.48 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 0.00 0.00 0.00 1.33 0.00 0.00 48 D 8.36 4.52 0.00 3.09 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 49 A 8.13 4.22 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 50 L 7.99 3.83 0.00 1.55 1.51 0.81 0.89 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 51 F 8.23 4.51 0.00 3.07 3.10 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 52 G 8.56 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.14 4.16 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.44 3.16 1.10 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 55 A 7.60 3.71 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 56 L 8.70 4.68 0.00 1.90 1.73 1.14 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.01 4.82 0.00 3.12 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 9.19 4.11 2.25 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 1.77 1.84 1.01 0.00 0.00 60 G 8.15 3.60 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 61 R 7.90 3.89 0.00 1.69 1.91 0.00 3.09 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.49 0.00 62 H 7.22 4.09 0.00 2.11 1.80 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.03 5.09 0.00 3.06 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 *73 A 8.47 4.05 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 74 D 8.56 4.55 0.00 2.71 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 75 S 9.49 4.19 0.00 3.97 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 76 R 8.20 3.88 0.00 2.00 2.02 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 77 A 8.01 3.94 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 78 L 7.63 3.24 0.00 1.66 1.09 0.75 -0.17 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 79 L 8.16 3.87 0.00 1.76 1.79 0.85 0.87 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 80 R 8.23 3.89 0.00 1.99 1.96 0.00 3.17 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 81 E 8.36 4.00 0.00 2.16 2.18 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 2.72 2.82 0.00 82 C 8.77 4.09 0.00 2.88 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 83 A 8.13 3.95 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 84 S 8.38 4.07 0.00 4.00 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 85 R 8.42 4.03 0.00 2.25 2.12 0.00 3.35 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 1.76 2.03 0.00 86 V 8.42 3.71 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 1.07 0.00 0.00 0.92 0.00 0.00 87 A 8.41 4.53 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.13 3.97 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 89 A 8.14 4.27 1.62 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 90 G 8.07 3.80 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 0.00 0.00 0.00 91 F 8.17 5.26 0.00 3.14 2.93 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 92 A 8.96 4.84 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 93 I 8.34 4.18 1.89 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 1.34 0.61 0.92 0.00 0.00 94 R 8.94 4.55 0.00 1.93 2.08 0.00 3.49 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.05 0.00 95 N 7.66 5.02 0.00 2.84 2.88 0.00 0.00 5.62 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 96 V 8.56 4.96 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 0.92 0.00 0.00 0.92 0.00 0.00 97 D 9.04 5.52 0.00 2.78 2.43 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 98 S 8.02 5.05 0.00 3.97 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 99 T 8.67 4.93 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 1.21 0.00 0.00 100 I 9.02 4.74 1.84 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 1.19 0.63 0.92 0.00 0.00 101 I 8.75 5.05 1.86 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 1.16 0.85 0.97 0.00 0.00 102 A 8.78 4.77 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 0.00 103 Q 8.93 3.83 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 104 A 7.28 4.46 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 0.00 105 P 0.00 4.42 0.00 2.07 1.84 0.00 3.31 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.36 0.00 106 K 8.42 3.98 0.00 1.80 1.67 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.04 7.81 107 L 8.46 4.45 0.00 1.65 1.71 0.87 0.90 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 0.00 108 A 8.06 3.98 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 0.00 109 P 0.00 4.26 0.00 1.70 2.01 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 110 H 8.19 4.82 0.00 3.20 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.45 3.68 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 1.73 0.84 0.94 0.00 0.00 112 D 8.13 4.33 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 0.00 113 A 7.93 4.01 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 0.00 114 M 7.90 4.22 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.55 0.00 115 R 8.15 3.87 0.00 2.10 1.99 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 1.71 1.66 0.00 116 A 8.07 3.97 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 0.00 117 N 8.25 4.28 0.00 2.99 2.86 0.00 0.00 7.04 6.58 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 0.00 118 I 7.84 3.65 1.98 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 0.77 0.89 0.00 0.00 119 A 8.19 3.96 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 0.00 120 A 7.99 3.92 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 0.00 121 D 8.23 4.34 0.00 2.74 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 0.00 122 L 8.13 4.26 0.00 1.65 1.69 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.76 4.36 0.00 2.80 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 0.00 124 L 7.97 4.88 0.00 1.61 1.52 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.51 0.00 2.22 2.18 0.00 3.73 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 2.16 1.99 0.00 126 L 8.71 3.94 0.00 1.72 1.79 0.92 0.93 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 0.00 127 D 8.07 4.61 0.00 2.76 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.19 4.69 0.00 1.78 2.06 0.00 3.08 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 129 V 7.89 4.96 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 0.78 0.00 0.00 0.93 0.00 0.00 130 N 9.15 5.09 0.00 2.83 2.72 0.00 0.00 6.32 7.12 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 0.00 131 V 8.35 4.69 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 1.19 0.00 0.00 0.92 0.00 0.00 132 K 8.98 4.86 0.00 1.72 1.64 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.49 7.81 133 A 8.46 5.21 1.15 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 0.00 134 K 9.18 4.74 0.00 1.57 1.63 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.49 7.81 135 T 8.46 4.77 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 0.00 136 N 8.54 4.72 0.00 2.74 2.71 0.00 0.00 7.05 7.65 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 0.00 137 E 8.94 3.60 0.00 2.10 1.95 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 2.25 2.36 0.00 138 K 8.19 3.99 0.00 1.95 1.82 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.24 1.02 7.81 139 L 7.73 4.48 0.00 1.80 1.55 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.45 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 0.00 0.00 0.00 0.00 141 Y 8.08 4.30 0.00 3.26 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.00 4.05 0.00 1.46 1.64 0.85 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.91 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 0.00 144 R 7.92 4.41 0.00 1.87 2.02 0.00 3.33 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 145 G 7.96 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 0.00 146 E 8.99 4.18 0.00 2.40 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 2.38 2.31 0.00 147 G 7.64 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 0.00 148 I 8.56 4.81 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.80 0.92 0.00 0.00 149 E 8.89 5.04 0.00 2.08 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 150 A 8.90 5.28 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 0.00 151 Q 9.05 5.23 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 152 A 9.15 5.21 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 0.00 153 A 9.14 5.23 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 0.00 154 A 8.98 5.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.72 5.16 0.00 1.80 1.71 1.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.97 5.29 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 0.68 0.00 0.00 0.77 0.00 0.00 157 V 8.79 4.79 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 0.74 0.00 0.00 0.21 0.00 0.00 158 R 9.01 4.23 0.00 1.54 1.91 0.00 2.21 0.00 0.00 2.98 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.26 0.00 159 E 8.60 4.05 0.00 1.90 1.78 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 2.28 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.