NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 G 4.2463 8.3549 109.7372 44.6711 0.0000 173.2088 31 M 4.3530 8.5848 124.7543 54.1725 34.6350 175.6809 32 T 4.1984 7.9840 109.0795 61.3251 71.7160 174.4746 33 L 3.9775 9.0310 123.6075 58.2074 42.0652 178.8115 34 E 4.0695 8.2060 118.8318 59.4999 29.6411 178.4234 35 D 4.4059 8.1608 118.8582 57.5635 40.8910 178.5295 36 D 4.3707 8.2350 119.3628 57.3854 40.7997 178.9028 37 L 4.1090 8.3578 119.8645 57.5070 41.5856 179.0443 38 N 4.3812 8.4477 117.0156 56.7273 38.9703 176.8554 39 A 4.0056 8.0250 122.2019 55.3487 18.3493 179.8345 40 T 3.5386 8.0193 114.2545 66.8769 68.5593 176.8581 41 N 4.5489 8.7392 118.8121 56.1236 38.4755 177.1813 42 E 3.9343 8.3111 120.9325 59.3657 29.7735 178.1614 43 Y 4.0467 7.8964 119.4982 61.0610 38.8638 177.6927 44 Y 4.1948 8.0789 117.6825 61.1370 38.0084 179.0684 45 R 4.1284 8.0208 120.2481 58.9398 30.0535 179.0418 46 E 4.0373 8.1649 117.0089 58.8136 29.5060 178.6289 47 R 4.2786 7.7107 115.6100 55.0396 30.5075 176.4126 48 G 3.8770 7.5670 106.3089 46.8955 0.0000 175.3973 49 I 4.0512 8.1920 121.9402 62.7023 38.1042 176.0885 50 A 4.5439 7.2035 118.4167 51.2231 22.7277 175.6883 51 V 4.5046 8.5646 119.8335 61.1392 33.1478 174.0698 52 I 5.2857 8.3059 126.7463 59.6873 40.5763 174.6046 53 H 5.0639 9.0039 121.7485 53.9285 33.4456 172.1143 54 K 4.0767 8.5229 121.9638 55.0322 33.0391 176.4629 55 K 4.1899 8.8033 127.8178 55.3896 32.6685 175.6037 56 P 4.3245 0.0000 0.0000 62.8084 31.9803 176.1476 57 T 4.1889 8.1370 117.8363 62.5823 69.3510 172.9943 58 P 4.3042 0.0000 0.0000 63.2351 32.5884 175.5761 59 V 4.7092 8.1096 121.7769 59.8589 35.4534 174.5112 *77 A 4.2582 8.3358 121.8395 51.9949 19.5285 175.5559 78 Y 4.5838 8.1298 117.1877 58.0254 39.4031 174.9244 79 F 4.7252 9.0944 124.0837 56.9194 39.4908 175.7195 80 R 4.4272 8.4440 123.7093 55.5325 31.2299 176.1912 81 Q 4.3745 8.5499 123.1504 55.1992 29.8611 175.6600 82 A 4.1692 8.7087 129.3190 52.4575 19.0454 177.2853 83 S 4.5263 8.4424 113.9767 58.3765 63.8776 173.3451 84 T 4.4474 7.1776 110.1930 59.8378 71.7359 173.0248 85 T 4.2839 7.8387 111.4381 61.4920 69.6591 174.1946 86 D 4.3716 9.0573 121.5486 56.1208 42.0734 176.1216 87 Y 5.0303 7.5950 116.0298 56.0321 41.4929 174.5554 88 N 4.9311 7.8094 119.1745 51.8180 41.4400 174.2542 89 G 4.2227 6.9045 104.4975 46.0517 0.0000 171.6646 90 V 5.0335 7.6523 118.6340 60.1602 34.5274 174.2188 91 Y 4.9016 8.7845 122.5255 57.6726 41.7319 175.1247 92 R 3.4401 9.1366 126.9404 57.2502 27.7151 177.1518 93 G 3.9786 8.3778 102.2692 45.6761 0.0000 173.8421 94 K 4.7281 7.9649 119.1396 54.1526 34.9205 174.6801 95 Y 4.7343 8.5593 123.4391 57.7385 40.1525 174.0903 96 I 4.9171 8.3203 127.5726 59.5872 40.6746 174.2368 97 D 4.9880 8.6358 125.4241 52.9214 45.1445 173.9034 98 F 5.5798 8.4543 119.4158 56.4856 41.8818 172.2958 99 E 5.2134 8.9569 119.0873 54.3608 33.1067 174.0303 100 A 5.3694 9.3462 127.0232 50.2793 21.5555 175.6316 101 K 4.9005 9.1913 121.1918 54.7034 36.9894 175.2171 102 E 5.4625 8.7343 118.7954 55.3447 33.1567 174.3285 103 T 4.5278 8.6806 113.9258 60.8263 70.9797 174.3982 104 K 4.3659 8.5612 123.8868 56.6235 32.9534 176.9715 105 N 4.4590 7.7872 118.4315 53.7603 39.2252 174.5889 106 K 4.5983 8.6221 122.2693 56.6600 33.2091 176.3572 107 T 4.6201 8.7199 112.9456 61.6587 69.6082 172.9060 108 A 5.1890 8.3090 119.9503 51.2459 22.5654 175.2047 109 F 4.2989 9.3812 123.1655 55.6134 40.9473 173.7455 110 P 4.7476 0.0000 0.0000 62.7779 31.7701 177.4208 111 L 4.7067 9.1390 123.6730 56.5656 41.8925 179.0368 112 K 4.3413 8.1216 117.1672 59.0303 32.5972 177.6401 113 N 4.4638 7.9695 116.3080 54.7693 38.6221 174.7016 114 F 5.1865 8.4463 116.4654 55.6553 42.6948 173.7647 115 H 5.2379 8.8628 116.9812 52.9031 31.6119 174.3843 116 A 3.3250 8.9071 121.8726 55.9340 17.9487 179.7597 117 H 4.1487 8.0783 113.7025 59.1885 28.7683 177.9475 118 Q 3.9470 7.6580 119.3685 58.8620 28.4702 178.8045 119 I 3.4616 7.1527 120.3058 64.3317 37.1517 178.5122 120 R 4.1557 7.9650 120.3991 58.9271 29.7820 178.5986 121 H 4.1362 8.2739 117.9885 59.5604 29.7984 177.2130 122 M 3.9932 8.2063 120.5560 58.4213 31.2899 178.5328 123 E 3.9456 8.3280 118.7634 59.5177 29.6624 179.5263 124 Q 4.0249 8.0248 118.0046 58.8975 28.8181 178.8582 125 V 3.5055 7.9132 119.5396 65.9775 31.6180 178.1842 126 V 3.5947 8.0498 117.8666 66.0775 31.1728 177.9160 127 A 4.0629 7.9035 119.1625 54.7235 18.1293 178.1799 128 H 4.6929 7.7469 113.0605 55.4530 29.1379 176.1365 129 G 3.8766 7.9187 107.9696 45.7154 0.0000 174.4773 130 G 4.1616 7.8787 106.5421 45.4460 0.0000 173.8432 131 I 4.2569 8.6841 122.1292 60.2595 38.4748 174.8451 132 C 5.7914 8.7401 126.8996 56.5940 35.2363 172.5743 133 F 5.5518 7.9199 118.7560 56.3224 41.2650 172.0382 134 A 5.3188 9.4003 120.3105 50.2730 22.2788 175.3553 135 I 4.6964 8.9660 122.4106 59.7736 39.4269 174.7223 136 L 4.8956 9.0564 128.2905 52.7698 44.1074 175.4826 137 R 5.0782 8.9634 124.6699 54.7052 33.0344 174.7601 138 F 4.9605 9.5859 126.1581 55.9123 38.9370 176.4801 139 S 4.1611 8.9630 121.1951 61.6868 62.9118 177.3221 140 L 4.2150 7.9892 116.9033 56.2967 41.6364 177.4054 141 L 4.4374 7.8673 117.1307 53.6672 42.6087 175.7149 142 N 4.2296 7.7056 116.1000 54.8474 37.9628 173.2322 143 E 4.7340 8.2308 114.8102 54.4924 33.0852 175.5701 144 T 5.1763 8.1772 119.8653 61.9944 72.3349 172.5394 145 Y 5.2242 9.3833 122.9601 56.0941 42.6030 173.9490 146 L 5.0752 9.1851 124.0261 53.3581 44.5293 174.8237 147 L 5.0338 8.9051 128.0776 52.8785 45.2282 175.3286 148 D 4.9141 9.1628 125.4588 54.4194 42.1171 176.7078 149 A 4.0758 9.1371 127.7950 55.3867 18.2982 180.2186 150 S 4.1030 8.3833 112.7439 62.2455 62.7573 176.7975 151 H 4.3624 8.1122 119.2859 58.4132 28.4566 177.4894 152 L 4.0305 7.9838 121.6744 58.2088 41.8782 178.8205 153 I 3.7384 8.4242 119.7956 64.3740 36.9536 178.1912 154 A 4.0012 8.0126 121.3486 55.1319 18.0176 179.7799 155 W 3.9581 8.3000 116.1794 59.5501 29.2893 178.3343 156 W 4.1876 8.8423 128.7537 60.6422 30.0063 177.8825 157 N 4.6507 8.7953 116.3327 55.8898 37.8909 177.3154 158 K 4.0438 7.8988 119.8597 58.4895 32.0044 179.0737 159 Q 4.0655 7.6283 119.1358 59.2493 28.4772 178.7836 160 E 3.7937 8.0006 117.0723 58.8692 29.5669 178.3197 161 A 4.3319 6.8874 119.9196 51.7908 19.0809 177.6690 162 G 3.9482 8.4778 105.0911 44.9138 0.0000 174.5014 163 G 3.8235 8.1056 109.5891 44.7002 0.0000 173.7155 164 R 4.1757 8.2911 115.7168 56.2883 30.1281 176.2274 165 K 4.6800 8.5678 117.9723 56.4248 33.0854 176.0700 166 S 5.0890 7.9168 113.2294 57.3268 66.1870 173.2635 167 I 3.5092 8.5854 122.9994 58.6749 38.7937 173.8875 168 P 4.4320 0.0000 0.0000 62.3219 32.0357 177.2694 169 K 3.8066 8.9287 124.2663 59.6671 31.8591 179.0872 170 Q 3.8938 7.8984 117.4687 59.2950 28.3840 178.3912 171 E 3.9935 8.0923 120.4659 59.1302 29.4656 179.3577 172 I 3.5756 7.4171 119.4742 64.2941 36.9808 178.1840 173 E 3.8277 7.7223 118.6072 58.9885 29.2661 179.2104 174 R 3.9129 7.5757 118.0828 59.4375 30.3919 177.5858 175 H 4.7542 8.2084 112.9691 56.8475 29.7335 174.7946 176 G 4.2802 8.1534 108.7002 44.9505 0.0000 172.3296 177 H 5.2495 9.0006 116.2497 53.8006 32.9957 173.7175 178 S 4.3127 9.0501 118.2071 58.4989 63.8145 173.3665 179 I 4.5238 8.0163 124.2578 58.6275 38.8441 173.9250 180 P 4.3583 0.0000 0.0000 63.0613 32.2206 175.2197 181 L 5.1623 8.1387 122.4465 53.6812 44.6020 176.0051 182 G 3.9470 8.1128 106.8113 46.6888 0.0000 173.3601 183 Y 4.0117 8.9122 120.2631 60.0935 38.9531 176.4871 184 Q 3.8486 7.4383 120.1364 54.1623 31.0138 171.7693 185 P 3.8651 0.0000 0.0000 62.2070 32.4979 176.8498 186 R 4.6307 8.2431 118.9322 58.4589 30.1298 176.4457 187 I 4.6078 7.3246 120.4120 59.1951 38.3516 176.2501 188 D 4.7108 8.5793 130.7867 53.4917 37.5869 176.1664 189 Y 4.1264 7.6023 120.9772 59.7993 38.7225 178.0288 190 I 3.2377 7.1310 122.3349 63.7854 36.7767 178.3250 191 S 4.0527 7.7549 115.3648 61.2501 62.6695 176.8757 192 V 3.5082 7.4637 121.3673 65.6196 31.3486 177.8657 193 V 3.8383 7.9279 118.3548 66.3043 31.3913 177.4680 194 D 4.5163 8.4664 118.0582 57.5033 40.8460 177.6983 195 N 4.4340 7.8995 116.6023 56.0156 39.0107 176.5490 196 V 3.7124 7.9551 119.0600 64.5043 31.9824 176.0537 197 Y 4.5367 8.2414 113.2971 57.6297 38.4941 175.3412 198 F 4.9112 7.7814 117.7150 55.5693 42.4538 174.8788 199 T 4.1790 8.6462 123.0540 63.6507 69.1433 175.8079 200 R 4.1691 8.6154 122.9928 56.6121 29.3798 174.1615 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 30 G 8.35 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 31 M 8.58 4.35 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 32 T 7.98 4.20 4.37 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 1.22 0.00 0.00 33 L 9.03 3.98 0.00 1.80 1.84 0.93 1.32 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 34 E 8.21 4.07 0.00 2.16 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 2.46 2.55 0.00 35 D 8.16 4.41 0.00 2.91 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 36 D 8.24 4.37 0.00 2.86 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 37 L 8.36 4.11 0.00 1.93 1.77 0.73 0.74 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 38 N 8.45 4.38 0.00 3.01 3.02 0.00 0.00 7.03 7.35 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 39 A 8.03 4.01 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 40 T 8.02 3.54 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 0.82 0.00 0.00 41 N 8.74 4.55 0.00 2.88 3.19 0.00 0.00 6.72 7.67 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 42 E 8.31 3.93 0.00 2.17 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 2.48 2.34 0.00 43 Y 7.90 4.05 0.00 3.00 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 44 Y 8.08 4.19 0.00 3.18 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 45 R 8.02 4.13 0.00 2.04 2.00 0.00 3.18 0.00 0.00 3.11 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 46 E 8.16 4.04 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 47 R 7.71 4.28 0.00 1.34 1.71 0.00 3.39 0.00 0.00 3.15 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.00 48 G 7.57 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 0.00 0.00 0.00 49 I 8.19 4.05 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.55 0.63 0.00 0.00 50 A 7.20 4.54 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 51 V 8.56 4.50 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 1.07 0.00 0.00 0.98 0.00 0.00 52 I 8.31 5.29 2.16 0.00 0.00 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 1.50 0.94 1.24 0.00 0.00 53 H 9.00 5.06 0.00 3.04 3.12 0.00 5.60 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 54 K 8.52 4.08 0.00 1.46 1.53 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.54 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.95 0.25 7.81 55 K 8.80 4.19 0.00 1.49 1.62 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.28 7.81 56 P 0.00 4.32 0.00 1.98 1.93 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 57 T 8.14 4.19 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 1.31 0.00 0.00 58 P 0.00 4.30 0.00 2.17 1.95 0.00 3.53 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 59 V 8.11 4.71 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 0.78 0.00 0.00 0.56 0.00 0.00 *77 A 8.34 4.26 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 78 Y 8.13 4.58 0.00 3.02 2.97 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 79 F 9.09 4.73 0.00 2.83 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 80 R 8.44 4.43 0.00 1.71 1.86 0.00 3.15 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 81 Q 8.55 4.37 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 82 A 8.71 4.17 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 83 S 8.44 4.53 0.00 3.92 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 84 T 7.18 4.45 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 1.07 0.00 0.00 85 T 7.84 4.28 4.40 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 1.25 0.00 0.00 86 D 9.06 4.37 0.00 2.64 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 0.00 0.00 0.00 87 Y 7.59 5.03 0.00 1.43 1.80 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 88 N 7.81 4.93 0.00 2.39 2.73 0.00 0.00 6.59 8.02 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 89 G 6.90 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 90 V 7.65 5.03 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 0.78 0.00 0.00 1.04 0.00 0.00 91 Y 8.78 4.90 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 92 R 9.14 3.44 0.00 1.27 1.63 0.00 2.67 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 93 G 8.38 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 94 K 7.96 4.73 0.00 2.15 1.79 0.00 1.18 0.00 0.00 1.40 0.00 0.00 2.74 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.39 1.67 7.81 95 Y 8.56 4.73 0.00 3.11 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.32 4.92 1.90 0.00 0.00 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 1.37 1.37 1.19 0.00 0.00 97 D 8.64 4.99 0.00 2.40 2.42 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 98 F 8.45 5.58 0.00 2.67 1.45 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 99 E 8.96 5.21 0.00 2.21 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 2.45 2.49 0.00 100 A 9.35 5.37 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 0.00 101 K 9.19 4.90 0.00 1.67 1.71 0.00 1.44 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.05 0.44 7.81 102 E 8.73 5.46 0.00 2.01 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 2.18 2.27 0.00 103 T 8.68 4.53 3.28 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 0.72 0.00 0.00 104 K 8.56 4.37 0.00 1.75 1.83 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.38 7.81 105 N 7.79 4.46 0.00 2.65 2.85 0.00 0.00 7.03 6.71 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 0.00 106 K 8.62 4.60 0.00 1.79 1.81 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.56 7.81 107 T 8.72 4.62 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 1.29 0.00 0.00 108 A 8.31 5.19 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.38 4.30 0.00 3.14 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.75 0.00 2.06 1.92 0.00 2.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 111 L 9.14 4.71 0.00 1.93 2.02 1.17 1.18 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 0.00 112 K 8.12 4.34 0.00 1.93 2.01 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.48 7.81 113 N 7.97 4.46 0.00 2.84 2.59 0.00 0.00 6.74 7.11 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 0.00 114 F 8.45 5.19 0.00 3.03 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 0.00 115 H 8.86 5.24 0.00 3.33 3.45 0.00 5.30 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.91 3.33 1.45 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 0.00 0.00 117 H 8.08 4.15 0.00 3.27 3.35 0.00 5.63 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 0.00 118 Q 7.66 3.95 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.27 1.88 0.00 119 I 7.15 3.46 1.41 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.36 0.79 0.00 0.00 120 R 7.96 4.16 0.00 1.99 1.98 0.00 3.16 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 121 H 8.27 4.14 0.00 3.30 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 M 8.21 3.99 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.57 0.00 123 E 8.33 3.95 0.00 2.19 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 2.33 2.57 0.00 124 Q 8.02 4.02 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 125 V 7.91 3.51 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 1.20 0.00 0.00 0.87 0.00 0.00 126 V 8.05 3.59 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 1.02 0.00 0.00 127 A 7.90 4.06 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 0.00 128 H 7.75 4.69 0.00 3.09 3.23 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.92 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 0.00 0.00 0.00 130 G 7.88 4.16 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 0.00 131 I 8.68 4.26 1.94 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 0.80 0.86 0.18 0.00 0.00 132 C 8.74 5.79 0.00 2.97 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 0.00 133 F 7.92 5.55 0.00 3.35 3.23 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 0.00 134 A 9.40 5.32 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 0.00 135 I 8.97 4.70 1.80 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.57 0.84 0.00 0.00 136 L 9.06 4.90 0.00 1.41 0.74 0.59 -0.12 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 0.00 137 R 8.96 5.08 0.00 1.91 1.81 0.00 3.11 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 138 F 9.59 4.96 0.00 3.16 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 0.00 139 S 8.96 4.16 0.00 3.94 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 0.00 140 L 7.99 4.21 0.00 1.70 1.76 0.96 0.94 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 0.00 141 L 7.87 4.44 0.00 1.90 1.90 0.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 142 N 7.71 4.23 0.00 2.83 2.88 0.00 0.00 6.94 7.51 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 0.00 143 E 8.23 4.73 0.00 2.13 1.82 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 2.25 2.54 0.00 144 T 8.18 5.18 4.17 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 1.20 0.00 0.00 145 Y 9.38 5.22 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 9.19 5.08 0.00 1.51 1.47 -0.07 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.91 5.03 0.00 1.77 1.49 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 148 D 9.16 4.91 0.00 2.99 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 0.00 149 A 9.14 4.08 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 0.00 150 S 8.38 4.10 0.00 4.04 4.17 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 0.00 151 H 8.11 4.36 0.00 3.50 3.56 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 0.00 152 L 7.98 4.03 0.00 1.66 1.72 0.57 0.14 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 0.00 153 I 8.42 3.74 2.09 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 1.43 0.58 0.99 0.00 0.00 154 A 8.01 4.00 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 0.00 155 W 8.30 3.96 0.00 3.56 3.38 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 0.00 156 W 8.84 4.19 0.00 3.61 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 0.00 157 N 8.80 4.65 0.00 2.89 2.92 0.00 0.00 7.08 8.10 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 0.00 158 K 7.90 4.04 0.00 1.82 1.73 0.00 1.12 0.00 0.00 1.35 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.59 7.81 159 Q 7.63 4.07 0.00 1.75 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 160 E 8.00 3.79 0.00 1.86 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 2.27 2.34 0.00 161 A 6.89 4.33 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 0.00 162 G 8.48 3.95 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 0.00 0.00 0.00 163 G 8.11 3.82 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 0.00 0.00 0.00 164 R 8.29 4.18 0.00 2.03 2.05 0.00 3.21 0.00 0.00 3.58 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.14 0.00 165 K 8.57 4.68 0.00 1.75 1.86 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.43 7.81 166 S 7.92 5.09 0.00 3.95 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 0.00 167 I 8.59 3.51 1.65 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.69 -0.08 0.00 0.00 168 P 0.00 4.43 0.00 2.11 1.96 0.00 2.99 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 169 K 8.93 3.81 0.00 1.46 1.62 0.00 0.61 0.00 0.00 1.27 0.00 0.00 2.76 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 0.62 7.81 170 Q 7.90 3.89 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 171 E 8.09 3.99 0.00 2.00 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 0.00 2.41 2.80 0.00 172 I 7.42 3.58 1.74 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 1.48 0.37 0.53 0.00 0.00 173 E 7.72 3.83 0.00 1.95 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 2.08 2.17 0.00 174 R 7.58 3.91 0.00 1.84 1.91 0.00 2.94 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 175 H 8.21 4.75 0.00 3.01 2.91 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 G 8.15 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 0.00 0.00 0.00 0.00 177 H 9.00 5.25 0.00 3.02 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 S 9.05 4.31 0.00 3.66 3.82 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 0.00 179 I 8.02 4.52 1.81 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 1.25 0.73 0.95 0.00 0.00 180 P 0.00 4.36 0.00 2.08 2.15 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 181 L 8.14 5.16 0.00 1.50 1.57 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 182 G 8.11 3.95 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 0.00 0.00 0.00 183 Y 8.91 4.01 0.00 2.86 2.97 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 0.00 184 Q 7.44 3.85 0.00 1.50 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.79 0.00 185 P 0.00 3.87 0.00 1.81 1.46 0.00 3.57 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.99 0.00 186 R 8.24 4.63 0.00 1.78 1.92 0.00 3.24 0.00 0.00 3.29 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.38 0.00 187 I 7.32 4.61 1.94 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 1.17 0.59 0.96 0.00 0.00 188 D 8.58 4.71 0.00 2.77 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 0.00 189 Y 7.60 4.13 0.00 3.04 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 0.00 190 I 7.13 3.24 0.92 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 0.09 -0.36 -0.16 0.00 0.00 191 S 7.75 4.05 0.00 4.00 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 0.00 192 V 7.46 3.51 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 1.01 0.00 0.00 0.89 0.00 0.00 193 V 7.93 3.84 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 1.36 0.00 0.00 0.90 0.00 0.00 194 D 8.47 4.52 0.00 2.84 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 0.00 195 N 7.90 4.43 0.00 2.68 2.79 0.00 0.00 7.17 8.08 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 0.00 196 V 7.96 3.71 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.56 0.00 0.00 197 Y 8.24 4.54 0.00 3.15 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 0.00 198 F 7.78 4.91 0.00 3.35 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 0.00 199 T 8.65 4.18 4.30 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 1.24 0.00 0.00 200 R 8.62 4.17 0.00 1.83 1.71 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 * Residues marked with a * may have inaccurate shift predictions.