NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 63 T 3.3457 8.1593 115.0611 61.5360 69.1939 174.1962 64 S 4.6056 7.6877 114.6936 56.3995 63.2883 173.4250 65 W 4.9057 8.6943 116.9526 55.9515 29.9279 177.8054 66 R 3.5452 8.8231 117.1049 56.6765 29.6521 177.4505 67 S 4.6567 8.4997 114.6090 59.9098 64.5363 173.0526 68 E 5.4762 7.7746 116.2692 55.4546 32.5428 173.8155 69 A 4.6158 7.7509 119.2760 51.9156 22.6252 175.1891 70 T 5.4259 8.9048 115.7445 61.8777 71.5560 173.7128 71 F 5.2017 9.0467 120.5463 55.4425 41.8974 173.6311 72 Q 5.1724 8.7915 118.3792 54.6530 32.3800 175.0199 73 F 5.0278 9.0884 121.8745 58.2387 42.6728 172.7238 74 T 4.8568 8.6428 123.5458 62.1581 70.2589 174.3509 75 V 4.0701 8.5484 126.4976 61.1639 33.4448 175.0143 76 E 4.5609 8.9052 127.3286 55.3291 31.3495 175.8696 77 R 4.0813 8.6117 115.9405 55.6388 28.3234 178.7066 78 F 4.0830 8.7000 121.5526 61.4034 39.6242 177.2075 79 S 4.3771 8.4966 113.7992 60.9679 62.7274 175.2168 80 R 4.2673 7.7935 118.1281 56.1512 30.4005 176.3289 81 L 3.9247 7.6856 120.8794 55.9096 42.0870 176.5549 82 S 4.6343 8.5495 117.9228 57.4428 64.0854 172.5743 83 E 4.6398 7.6233 117.3623 55.3278 32.0367 174.1017 84 S 4.7439 8.4111 114.1600 58.4167 63.2465 173.4347 85 V 4.7481 8.9212 118.8220 59.5029 35.6410 174.2670 86 L 5.2917 8.5070 124.2129 53.3002 44.9455 176.1203 87 S 3.7883 7.7728 120.3288 56.0499 64.4442 172.1179 88 P 4.4183 0.0000 0.0000 61.6539 31.8590 174.2823 89 P 4.5453 0.0000 0.0000 62.9622 32.4971 175.0596 90 C 4.6103 8.1967 120.5673 57.6312 34.4088 172.6680 91 F 5.6345 8.9972 124.8461 56.1629 40.1588 175.4979 92 V 4.5571 8.5095 121.8873 62.1936 35.1535 174.7874 93 R 4.0584 10.0697 126.5927 57.7682 28.1467 175.7178 94 N 4.4994 9.4936 110.6095 54.4664 37.2295 174.0005 95 L 4.7938 8.0230 116.0208 52.1678 46.2932 174.1599 96 P 3.7421 0.0000 0.0000 61.3727 32.8054 174.4989 97 W 5.1096 8.6252 125.3347 54.8752 31.5809 175.5611 98 K 5.1100 9.5760 122.1372 54.9431 36.8483 175.0448 99 I 5.0099 8.4672 123.1218 60.2447 39.1827 174.3610 100 M 5.1288 9.5073 127.5668 53.7826 34.6007 174.6193 101 V 5.1300 8.3467 125.4008 61.3624 35.4880 173.9924 102 M 4.7554 8.4613 120.9490 54.0430 34.5687 172.4696 103 P 4.7790 0.0000 0.0000 62.9453 32.4902 175.5946 104 R 4.8418 8.7754 120.5522 54.5369 34.0275 174.7022 105 F 4.9274 8.7133 119.1581 55.9885 42.4358 175.0090 *111 H 4.5793 8.5021 120.2330 55.8003 31.2125 173.1372 112 Q 4.1721 8.1217 117.9275 56.0336 28.6340 174.8217 113 K 4.5148 8.4941 125.2042 54.8197 34.0697 175.1978 114 S 5.3901 8.6100 120.4408 56.5475 67.5419 172.6316 115 V 4.6203 9.1337 121.2979 62.0262 32.9398 174.7222 116 G 4.5266 9.6250 116.3402 45.0285 0.0000 172.1617 117 F 5.4396 8.7374 127.6000 56.6200 42.3281 173.6035 118 F 5.3402 9.8678 124.4434 55.6842 43.8044 173.4609 119 L 5.3058 9.5298 123.6268 53.7537 43.9693 174.7505 120 Q 5.3061 9.8643 128.6569 54.5002 31.7029 173.4864 121 C 4.2492 9.5260 127.2882 57.7357 33.5575 173.3933 122 N 3.5523 8.1548 125.9255 54.2802 37.3917 175.5399 123 A 3.8311 7.5611 120.6723 54.9078 19.1440 179.3718 124 E 4.0687 7.9053 114.3392 58.5694 29.9605 177.4721 125 S 4.0958 7.0506 113.2820 58.6160 62.7310 174.0662 126 D 4.4804 8.6806 127.0170 56.8902 41.0591 176.9978 127 S 4.2956 7.4094 112.7942 59.2935 62.7022 173.7686 128 T 4.6627 8.4251 113.9887 61.4076 69.2194 174.1806 129 S 4.6422 8.1663 113.2603 58.0121 63.9865 173.7676 130 W 4.7894 7.9044 118.0078 56.2956 29.4500 175.3220 131 S 4.7015 8.5257 114.0538 58.6608 65.1575 174.9816 132 C 4.8494 9.4132 121.2408 57.6625 32.2437 172.9221 133 H 5.2550 9.9319 126.1342 54.6744 30.5660 173.9924 134 A 5.3626 9.6045 127.2526 50.2883 23.1042 174.3820 135 Q 5.2104 8.7441 117.0678 54.6674 32.0791 174.3315 136 A 4.9700 8.9276 121.3365 51.1460 23.7769 175.1178 137 V 4.7040 8.9572 119.8879 61.3290 33.9190 174.6183 138 L 4.8281 9.0830 129.6425 53.3166 43.1686 175.7078 139 K 5.4007 9.8234 125.8560 54.7661 35.7749 174.8912 140 I 4.3813 8.9732 128.7343 59.6314 38.2240 175.3483 141 I 3.7992 7.9411 129.0291 61.3171 36.5016 175.5706 142 N 4.4611 8.6196 125.2916 51.9299 39.5696 175.0054 143 Y 4.5417 7.7621 125.2819 61.0779 37.5830 177.6446 144 R 3.9622 6.7927 117.0343 55.9031 30.8401 175.7621 145 D 4.6392 8.4128 127.5010 52.4271 41.6887 176.6371 146 D 4.3460 8.6873 127.5516 57.3308 41.3473 178.3135 147 E 3.4231 8.2406 117.0561 59.2122 29.4543 177.8019 148 K 4.4003 8.2471 115.9905 56.1655 32.2131 176.6750 149 S 4.4259 8.6502 118.0424 58.6704 63.3988 173.7636 150 F 4.5543 9.1799 128.4830 57.7590 39.9212 174.3969 151 S 5.6335 8.4002 119.9360 57.0538 66.3924 173.3978 152 R 4.7262 9.1824 118.6486 54.9166 34.6172 174.3627 153 R 5.4596 8.7514 120.2612 54.7664 33.0332 175.1612 154 I 5.0372 8.7614 114.0326 59.7846 41.9046 173.9768 155 S 5.1525 8.4685 116.3865 57.6119 65.2065 172.4003 156 H 4.1909 9.4495 124.9318 55.1654 33.7508 172.4160 157 L 4.7789 7.6175 126.0113 53.6707 42.4400 175.6062 158 F 4.8315 9.5523 127.1320 57.3141 40.6646 175.1728 159 F 2.7766 8.1927 115.6790 55.5010 40.9293 174.3540 160 H 4.2387 8.1130 114.0735 58.5972 27.8550 176.4038 161 K 3.9280 5.9880 116.5379 57.2706 33.1565 176.9501 162 E 4.6106 6.7964 118.6672 55.0936 30.6288 175.1627 163 N 5.3665 8.0132 115.6987 53.8193 39.0929 175.7356 164 D 5.7945 7.9773 117.9863 52.4479 43.0194 174.3153 165 W 5.0451 9.0358 128.6568 55.9294 34.2790 174.2433 166 G 3.8178 7.0833 113.3592 46.2419 0.0000 173.0381 167 F 4.5677 7.6187 122.4537 55.3386 41.9325 176.1033 168 S 4.3703 8.9387 120.9817 60.3981 63.6307 174.0362 169 N 5.1535 7.8000 117.9611 51.2328 38.9235 174.1258 170 F 4.1335 8.2364 123.2456 61.0765 40.1145 174.1355 171 M 4.3855 7.6445 116.7677 52.8335 35.5037 172.6786 172 A 4.7305 8.0491 122.7181 50.5135 20.8849 177.8434 173 W 4.0000 8.9897 134.8445 60.7205 30.6852 178.5920 174 S 4.2002 8.3198 112.2096 61.5882 62.3026 175.7564 175 E 4.1190 7.9767 122.4131 59.0429 29.3963 178.9456 176 V 3.5205 7.4860 118.2072 64.2455 31.4167 176.7769 177 T 4.1924 7.4600 107.7851 61.1729 68.9142 173.9058 178 D 4.6056 7.7166 123.6610 52.7288 40.7183 175.2495 179 P 4.3663 0.0000 0.0000 64.8546 31.1729 176.6274 180 E 4.4194 8.5295 117.6121 56.6620 30.1685 176.8546 181 K 4.0064 8.2794 118.1064 56.8538 32.8582 178.0253 182 G 3.7533 8.2493 107.1460 45.2505 0.0000 174.5742 183 F 4.2659 7.5415 117.0483 57.5417 39.7895 175.4903 184 I 4.6098 7.6815 120.2537 58.8676 40.0664 173.7070 185 D 4.6230 8.9433 126.9981 53.1734 42.8535 174.7228 186 D 4.4057 9.2677 127.1246 55.6404 39.3413 172.9969 187 D 4.5051 8.2571 112.3321 54.5366 40.1027 171.6596 188 K 4.9603 7.8639 116.5861 54.2440 34.8001 175.3670 189 V 4.5669 8.3815 123.6936 61.2502 34.8676 174.0533 190 T 4.9839 7.6152 123.5237 61.8767 71.0003 173.4291 191 F 4.9026 9.2756 124.9463 55.7757 42.1920 174.3607 192 E 5.1598 9.6195 121.7924 54.7068 33.6621 174.1778 193 V 4.8455 8.3404 124.9950 61.0665 35.2452 173.6633 194 F 5.3186 9.1202 130.5036 56.6031 41.4209 174.1670 195 V 4.5231 8.4266 126.4059 59.7010 34.4083 174.6490 196 Q 4.6678 8.6755 122.2708 53.9773 31.6646 174.2371 197 A 5.3377 8.7003 126.3253 50.1272 22.0409 175.7707 198 D 4.8240 8.7058 120.3998 53.4199 41.9171 175.2227 199 A 4.4712 8.0074 118.0647 50.9872 21.5292 174.5375 200 P 4.4403 0.0000 0.0000 62.7003 32.0925 175.9098 201 G 3.8587 7.7431 106.7442 45.6417 0.0000 172.8637 202 G 3.9480 7.7893 108.5186 44.4464 0.0000 175.0316 203 S 4.2137 8.3361 113.6943 59.2941 63.4109 174.6526 204 R 4.2266 7.3196 123.1938 56.4413 30.1650 175.6939 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 63 T 8.16 3.35 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 1.05 0.00 0.00 64 S 7.69 4.61 0.00 4.20 3.92 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 65 W 8.69 4.91 0.00 3.36 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.82 3.55 0.00 1.84 2.18 0.00 3.25 0.00 0.00 3.77 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.76 0.00 67 S 8.50 4.66 0.00 3.83 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 68 E 7.77 5.48 0.00 1.79 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 0.00 2.16 2.25 0.00 69 A 7.75 4.62 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 70 T 8.90 5.43 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 1.30 0.00 0.00 71 F 9.05 5.20 0.00 3.23 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 72 Q 8.79 5.17 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 73 F 9.09 5.03 0.00 3.07 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 74 T 8.64 4.86 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 1.25 0.00 0.00 75 V 8.55 4.07 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 1.19 0.00 0.00 0.43 0.00 0.00 76 E 8.91 4.56 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 77 R 8.61 4.08 0.00 2.02 2.00 0.00 3.45 0.00 0.00 3.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 78 F 8.70 4.08 0.00 3.31 3.11 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 79 S 8.50 4.38 0.00 4.18 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 80 R 7.79 4.27 0.00 2.02 2.04 0.00 3.22 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 81 L 7.69 3.92 0.00 1.54 1.65 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.55 4.63 0.00 3.93 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 83 E 7.62 4.64 0.00 2.06 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 2.20 2.32 0.00 84 S 8.41 4.74 0.00 3.95 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 85 V 8.92 4.75 2.34 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 0.82 0.00 0.00 1.13 0.00 0.00 86 L 8.51 5.29 0.00 1.58 1.46 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 87 S 7.77 3.79 0.00 3.08 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.42 0.00 2.21 2.10 0.00 3.63 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 2.02 2.02 0.00 89 P 0.00 4.55 0.00 1.48 1.81 0.00 3.68 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 90 C 8.20 4.61 0.00 2.05 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 91 F 9.00 5.63 0.00 2.97 3.07 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 92 V 8.51 4.56 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 0.94 0.00 0.00 0.77 0.00 0.00 93 R 10.07 4.06 0.00 2.15 2.12 0.00 3.59 0.00 0.00 3.51 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.99 0.00 94 N 9.49 4.50 0.00 2.95 2.95 0.00 0.00 6.83 6.62 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 95 L 8.02 4.79 0.00 1.46 0.83 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 3.74 0.00 1.59 1.43 0.00 3.22 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 97 W 8.63 5.11 0.00 3.06 3.16 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 98 K 9.58 5.11 0.00 1.61 1.59 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.22 1.26 7.81 99 I 8.47 5.01 1.90 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 1.32 0.94 1.02 0.00 0.00 100 M 9.51 5.13 0.00 2.25 1.99 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 2.55 2.58 0.00 101 V 8.35 5.13 1.97 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 1.01 0.00 0.00 -0.21 0.00 0.00 102 M 8.46 4.76 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 103 P 0.00 4.78 0.00 1.25 0.66 0.00 3.71 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 1.92 1.92 0.00 104 R 8.78 4.84 0.00 1.68 1.87 0.00 3.34 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.09 0.00 105 F 8.71 4.93 0.00 2.89 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 *111 H 8.50 4.58 0.00 3.19 3.38 0.00 5.73 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.12 4.17 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.52 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 113 K 8.49 4.51 0.00 1.60 1.54 0.00 1.16 0.00 0.00 1.05 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.48 0.21 7.81 114 S 8.61 5.39 0.00 4.20 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 0.00 115 V 9.13 4.62 2.28 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 1.23 0.00 0.00 1.02 0.00 0.00 116 G 9.62 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 0.00 117 F 8.74 5.44 0.00 2.73 2.36 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 0.00 118 F 9.87 5.34 0.00 3.09 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 0.00 119 L 9.53 5.31 0.00 1.91 2.08 1.34 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 9.86 5.31 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 121 C 9.53 4.25 0.00 1.23 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 0.00 0.00 0.00 0.00 122 N 8.15 3.55 0.00 1.82 1.42 0.00 0.00 6.69 7.73 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 0.00 123 A 7.56 3.83 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 0.00 124 E 7.91 4.07 0.00 1.86 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 2.27 2.32 0.00 125 S 7.05 4.10 0.00 3.68 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 0.00 126 D 8.68 4.48 0.00 2.72 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 0.00 127 S 7.41 4.30 0.00 3.89 3.97 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 0.00 128 T 8.43 4.66 3.86 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 1.10 0.00 0.00 129 S 8.17 4.64 0.00 3.94 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 0.00 130 W 7.90 4.79 0.00 3.61 3.16 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 0.00 131 S 8.53 4.70 0.00 3.72 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 C 9.41 4.85 0.00 2.45 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 H 9.93 5.25 0.00 3.25 3.48 0.00 5.69 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 0.00 134 A 9.60 5.36 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 0.00 135 Q 8.74 5.21 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 136 A 8.93 4.97 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 0.00 137 V 8.96 4.70 2.30 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 1.08 0.00 0.00 1.16 0.00 0.00 138 L 9.08 4.83 0.00 1.60 0.47 0.89 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 139 K 9.82 5.40 0.00 1.90 1.74 0.00 1.67 0.00 0.00 1.93 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.50 7.81 140 I 8.97 4.38 1.62 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.42 0.24 0.00 0.00 141 I 7.94 3.80 1.65 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 1.09 0.42 0.80 0.00 0.00 142 N 8.62 4.46 0.00 2.49 2.65 0.00 0.00 7.06 7.24 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 0.00 143 Y 7.76 4.54 0.00 3.01 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 0.00 144 R 6.79 3.96 0.00 1.83 1.77 0.00 3.03 0.00 0.00 3.09 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 145 D 8.41 4.64 0.00 2.66 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 0.00 146 D 8.69 4.35 0.00 2.73 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 0.00 147 E 8.24 3.42 0.00 2.22 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 2.30 2.28 0.00 148 K 8.25 4.40 0.00 1.72 1.73 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.54 7.81 149 S 8.65 4.43 0.00 3.77 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 9.18 4.55 0.00 3.06 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.40 5.63 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 R 9.18 4.73 0.00 1.67 1.48 0.00 2.55 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.24 0.00 153 R 8.75 5.46 0.00 1.78 1.93 0.00 3.20 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 154 I 8.76 5.04 2.25 0.00 0.00 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 1.30 1.16 0.95 0.00 0.00 155 S 8.47 5.15 0.00 3.91 3.77 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 0.00 0.00 0.00 156 H 9.45 4.19 0.00 1.96 2.37 0.00 5.62 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 0.00 157 L 7.62 4.78 0.00 1.41 1.27 0.59 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 158 F 9.55 4.83 0.00 3.37 3.26 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 0.00 159 F 8.19 2.78 0.00 2.67 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 0.00 160 H 8.11 4.24 0.00 3.38 3.52 0.00 5.52 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 5.99 3.93 0.00 0.88 1.58 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.21 0.85 7.81 162 E 6.80 4.61 0.00 1.77 1.84 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 2.12 1.79 0.00 163 N 8.01 5.37 0.00 3.31 3.35 0.00 0.00 5.59 8.07 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 0.00 164 D 7.98 5.79 0.00 2.98 2.77 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 0.00 0.00 0.00 165 W 9.04 5.05 0.00 2.84 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 0.00 166 G 7.08 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 0.00 167 F 7.62 4.57 0.00 3.18 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 0.00 168 S 8.94 4.37 0.00 4.15 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 0.00 169 N 7.80 5.15 0.00 2.72 2.83 0.00 0.00 7.27 7.02 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 0.00 170 F 8.24 4.13 0.00 3.27 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 0.00 171 M 7.64 4.39 0.00 1.67 0.78 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 2.03 0.00 172 A 8.05 4.73 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 0.00 173 W 8.99 4.00 0.00 3.43 3.11 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 0.00 174 S 8.32 4.20 0.00 4.12 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 0.00 175 E 7.98 4.12 0.00 2.07 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 2.46 2.45 0.00 176 V 7.49 3.52 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.28 0.00 0.00 177 T 7.46 4.19 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 0.66 0.00 0.00 178 D 7.72 4.61 0.00 2.91 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 0.00 179 P 0.00 4.37 0.00 2.22 2.19 0.00 3.82 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 2.00 2.02 0.00 180 E 8.53 4.42 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 2.27 2.40 0.00 181 K 8.28 4.01 0.00 1.99 1.89 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.73 7.81 182 G 8.25 3.75 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 0.00 0.00 0.00 183 F 7.54 4.27 0.00 3.03 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 0.00 184 I 7.68 4.61 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.87 0.89 0.00 0.00 185 D 8.94 4.62 0.00 2.52 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 0.00 0.00 0.00 186 D 9.27 4.41 0.00 2.77 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 0.00 187 D 8.26 4.51 0.00 2.95 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 0.00 188 K 7.86 4.96 0.00 1.90 1.69 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.53 7.81 189 V 8.38 4.57 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 0.02 0.00 0.00 0.09 0.00 0.00 190 T 7.62 4.98 4.14 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 1.25 0.00 0.00 191 F 9.28 4.90 0.00 2.79 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 E 9.62 5.16 0.00 1.96 1.88 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 2.23 2.27 0.00 193 V 8.34 4.85 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 0.84 0.00 0.00 0.98 0.00 0.00 194 F 9.12 5.32 0.00 3.11 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 0.00 195 V 8.43 4.52 1.76 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 0.34 0.00 0.00 -0.15 0.00 0.00 196 Q 8.68 4.67 0.00 1.72 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 1.75 1.37 0.00 197 A 8.70 5.34 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 0.00 198 D 8.71 4.82 0.00 2.71 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 0.00 199 A 8.01 4.47 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 0.00 200 P 0.00 4.44 0.00 2.22 2.10 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 201 G 7.74 3.86 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 0.00 0.00 0.00 202 G 7.79 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 0.00 203 S 8.34 4.21 0.00 3.99 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 0.00 204 R 7.32 4.23 0.00 2.00 2.09 0.00 3.19 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 1.53 1.71 0.00 * Residues marked with a * may have inaccurate shift predictions.