NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 33 T 4.1895 8.0333 117.3059 63.3198 70.5372 172.2088 34 I 4.4254 7.9929 126.7778 59.2120 39.6286 173.4034 35 Y 4.4989 9.3078 128.2948 57.4498 39.8227 175.0974 36 A 5.0525 8.5310 123.7009 49.5864 18.8904 174.0034 37 P 4.4823 0.0000 0.0000 62.4224 32.4832 176.6633 38 T 4.3107 9.0454 117.9256 62.0267 69.3396 174.8910 39 V 3.9806 8.2601 127.7788 61.4456 31.0443 175.2283 40 R 4.4301 8.3512 127.0397 54.3537 31.0241 176.1445 41 V 4.1004 8.1816 123.5019 61.4342 32.4439 175.3077 42 T 4.1599 8.4166 124.6788 62.1072 68.5589 172.8607 43 P 4.1103 0.0000 0.0000 62.8326 32.1979 175.4680 44 N 4.0653 5.7948 121.0730 51.8015 39.2826 173.8584 45 P 4.1660 0.0000 0.0000 65.5219 31.5943 177.5935 46 A 4.1115 8.4773 120.5171 54.3585 18.4586 178.0711 47 W 4.6332 7.5275 115.7218 56.0586 29.6565 174.4577 48 P 4.5532 0.0000 0.0000 62.3805 31.8052 175.4997 49 Q 4.4002 8.4530 121.4349 55.5297 29.8245 175.4306 50 V 4.3747 8.3994 118.1545 59.6358 34.6525 175.4501 51 S 4.3906 8.2560 115.2450 58.7123 63.2046 174.3817 52 W 4.7657 7.4057 116.6127 55.9249 29.4037 174.7689 53 Q 4.8394 9.3392 117.1404 54.0506 31.0974 174.6425 54 L 5.2003 8.7618 126.4873 53.2812 44.5706 174.5573 55 L 4.7895 8.9795 129.2627 53.9100 43.8010 175.2341 56 V 4.5644 8.3019 127.1005 61.1650 31.7921 175.4090 57 A 4.2763 8.6489 130.3839 51.2717 19.3017 177.1987 58 K 3.7401 8.7093 118.8457 56.5349 32.4445 175.5791 59 P 4.8349 0.0000 0.0000 62.7449 32.3107 175.6906 60 S 4.9269 8.3779 115.2325 56.9869 66.0811 172.7687 61 A 4.7999 8.3529 120.9250 50.9678 22.0290 175.8704 62 A 4.1085 8.5445 121.9142 52.3587 18.9249 179.2476 63 R 3.9780 8.5762 118.7449 59.2216 30.2353 178.2968 64 I 3.9616 7.7184 116.1098 62.6460 38.2485 176.2128 65 I 4.1995 7.7113 120.2302 63.2310 38.4738 175.9651 66 D 4.9583 7.8252 120.0094 53.2706 40.0693 174.7635 67 S 4.6982 7.3043 112.8892 56.4976 66.6397 172.8401 68 P 4.7949 0.0000 0.0000 63.3350 31.2261 176.6341 69 R 4.2806 7.7987 118.6701 56.2623 31.0444 176.4636 70 I 4.3303 8.1207 123.7847 59.9420 38.6092 174.7142 71 N 5.1451 9.0153 125.9348 53.0257 39.9299 174.7865 72 V 4.7910 8.9479 122.6321 60.0620 35.0890 174.7469 73 R 4.9331 9.4106 125.0757 53.4877 29.4372 174.3702 74 P 4.2560 0.0000 0.0000 64.0785 32.4086 177.1982 75 T 4.7208 7.4209 108.0756 58.8719 71.7748 172.6393 76 P 4.1834 0.0000 0.0000 65.5415 31.3706 177.4594 77 G 3.9517 7.9635 103.7726 45.4508 0.0000 172.9177 78 E 4.8229 8.3145 119.3585 54.2652 32.9455 174.5093 79 L 5.1003 8.2962 119.6937 53.3507 45.1623 175.7292 80 Q 4.7665 9.0637 121.2399 54.2667 33.2659 174.2390 81 V 4.8456 7.9761 111.4377 59.7504 35.1221 175.7603 82 Y 4.2998 8.2595 120.9062 58.4257 38.3587 175.5945 83 H 4.5809 9.0752 120.2716 55.8913 30.4039 175.1687 84 G 3.9936 8.6343 108.8003 45.6690 0.0000 173.7290 85 A 4.5740 7.6838 116.9197 51.0079 22.5579 176.3618 86 G 4.1803 8.4324 109.1471 44.4724 0.0000 172.2382 87 W 5.4228 8.5702 120.4801 56.1333 29.5909 177.0578 88 A 4.4118 8.8462 123.6725 54.6139 18.2881 177.8535 89 Q 4.5640 7.9493 110.9027 52.9298 31.6526 173.1057 90 P 4.5227 0.0000 0.0000 62.0092 33.2459 177.5464 91 A 3.1326 7.8018 122.2241 55.0035 18.0354 180.2514 92 T 3.6365 7.5966 107.8520 65.3851 68.5898 175.9567 93 D 4.2741 7.9457 121.5732 56.9767 40.8280 178.6236 94 M 3.9209 7.8253 119.1514 58.2388 31.9069 178.6102 95 L 3.9144 7.7890 120.5760 57.8964 42.1809 178.4555 96 E 3.8736 8.3071 119.4673 59.4700 29.5311 178.3565 97 D 4.3648 8.0175 118.7094 57.7033 40.8995 179.1254 98 S 4.0814 8.0437 115.3537 61.6221 62.8970 177.1118 99 V 3.4169 7.7440 120.8622 65.8506 31.3018 178.3511 100 V 3.8133 8.0965 118.2984 66.2521 31.4013 178.3220 101 R 3.9834 8.4435 117.9277 58.9859 29.6246 178.8979 102 A 3.9709 7.9524 120.2561 54.8896 18.5861 179.4437 103 F 4.3343 7.8771 116.1357 60.9237 38.8651 177.3997 104 E 4.0197 8.2320 116.8389 59.8000 29.4288 178.6587 105 D 4.6044 8.1890 116.6902 56.0552 41.3252 177.9533 106 S 4.2522 8.0317 114.1978 59.5672 63.1079 175.7645 107 G 3.9733 8.3916 106.7431 45.2915 0.0000 173.6481 108 K 4.2649 8.2675 119.1587 56.7570 32.9719 176.1777 109 I 4.3974 7.4404 117.7206 59.3913 39.7999 174.0454 110 A 4.3352 8.5535 129.6576 52.2346 19.3542 176.6477 111 A 4.6092 7.4975 118.6431 49.5760 20.3247 174.2865 112 V 4.8269 8.1636 118.8938 61.4790 34.4857 174.0414 113 A 4.8052 8.9728 127.8769 50.1274 23.5627 175.8494 114 R 4.5196 8.1739 115.8005 55.8259 30.8012 176.8443 *121 S 4.3231 7.9677 111.0675 58.5141 63.6872 172.1761 122 D 4.4145 9.1898 127.5460 55.5894 42.4785 176.1360 123 Y 5.3930 7.6603 113.8825 54.8337 42.3096 174.6535 124 K 4.9759 8.5583 122.3215 54.6241 35.5243 174.2727 125 L 5.0394 9.3778 130.3107 54.0012 43.7584 174.8215 126 A 5.0436 9.3695 129.2269 50.3922 21.4887 174.6972 127 I 4.8485 8.3943 123.2471 59.9510 40.1743 174.2543 128 D 5.2642 9.3904 126.4784 52.4634 43.7402 174.6535 129 V 4.4507 8.6088 126.8474 61.9721 31.8317 175.4397 130 R 4.4878 9.3893 128.5981 58.1602 30.9529 177.2074 131 R 4.7944 7.8213 113.1431 54.9130 33.5471 174.4875 132 F 5.1114 8.8376 122.4678 57.0615 40.3520 172.5541 133 E 5.3240 9.7655 121.6354 54.6978 33.8749 174.5312 134 S 4.6640 9.4378 117.0973 57.9965 63.6004 172.2442 135 D 5.1912 8.8854 128.6531 52.6864 42.6279 176.6732 136 Y 3.7107 8.9822 124.5710 59.3460 38.1496 176.4644 137 A 3.7543 9.4946 120.3100 52.8129 16.3470 176.9487 138 G 4.1412 8.5585 109.0074 47.1785 0.0000 175.1299 139 Q 4.2679 7.5528 117.2819 55.5969 29.2425 176.3817 140 S 4.4183 8.5578 113.7009 60.1291 62.8286 173.9381 141 L 4.9155 7.6588 118.9040 52.0475 44.5022 174.5955 142 P 4.4478 0.0000 0.0000 62.0602 33.6276 174.2980 143 A 4.9242 8.3938 123.1713 49.8431 21.3000 175.9887 144 A 3.6716 8.5156 125.7651 52.2728 19.5057 176.4715 145 T 4.8747 8.7889 119.6131 61.9926 72.6220 173.3357 146 I 4.9369 8.6830 126.6898 59.3726 41.0285 174.0295 147 E 5.2085 9.5336 128.3822 54.2861 32.3002 174.4160 148 L 5.3098 9.4859 126.5874 54.0784 44.9697 174.5365 149 N 5.5795 9.4833 118.8298 51.9318 41.2669 173.1332 150 A 5.2656 9.0211 128.2442 50.2989 22.1266 175.4437 151 K 5.2632 9.4188 119.8530 54.5764 36.0949 175.0229 152 L 5.0315 9.4826 126.9957 53.7456 43.5203 175.4650 153 L 5.0454 9.1025 127.0717 53.9706 44.3343 174.9566 154 H 5.0091 9.1017 121.7337 54.9710 31.1231 176.1765 155 S 4.0488 9.0141 123.0519 61.8146 62.6871 176.4370 156 S 3.9172 6.9704 114.1021 61.2466 62.8579 175.0214 157 D 4.8295 7.7398 117.5423 52.7573 39.5546 175.9316 158 Q 3.4731 7.5273 114.1731 57.3979 27.1000 173.0585 159 R 4.3947 7.5997 118.5197 55.1192 31.5945 175.5586 160 V 3.9567 8.3890 126.9581 63.3943 31.5502 175.5772 161 V 3.9110 8.9179 129.1062 64.9598 32.0752 175.6182 162 A 4.5539 7.7142 118.8017 51.8221 22.4964 175.3018 163 S 5.5664 8.8540 114.0047 58.0064 64.8896 173.3205 164 R 4.4222 8.1116 127.3171 54.5806 33.3322 173.8861 165 T 4.7264 8.0362 121.7021 62.4995 70.0801 174.0082 166 F 4.8282 9.8206 125.7598 55.9310 42.0802 174.5327 167 T 5.1776 8.5255 118.9693 61.8819 72.3430 173.6267 168 V 4.5039 8.6282 124.5158 61.3620 35.3065 173.3308 169 A 5.1318 8.6474 128.7320 50.1737 21.7213 175.1482 170 R 4.6501 8.7600 121.4838 53.5407 33.8478 173.2245 171 P 4.7358 0.0000 0.0000 62.1898 32.7274 176.0500 172 S 4.2403 9.1827 118.4347 58.0218 62.9258 174.7444 173 S 4.4466 8.4632 119.8560 58.8398 63.1694 173.0135 174 S 4.4419 7.1424 113.9402 58.5718 64.6936 174.7554 175 T 4.2376 8.4202 116.3178 63.7503 67.9807 175.3786 176 D 4.5234 7.7676 121.1682 54.1974 42.7124 177.4817 177 T 3.2734 8.2625 113.1689 64.6146 68.7954 176.2418 178 A 3.6620 8.0486 123.1916 55.1097 18.0792 179.3898 179 A 3.8910 7.8562 118.1905 55.1133 18.3959 179.9376 180 V 3.4692 7.6237 117.6519 65.3277 31.6166 177.9709 181 A 4.3557 8.2586 120.6764 55.4553 18.2651 179.5275 182 A 4.0114 8.1882 118.7609 55.0854 18.3007 179.7422 183 A 3.9397 7.6607 119.5364 55.0561 18.3107 179.8720 184 F 4.0434 8.1772 116.4987 60.5934 39.0455 177.0629 185 E 4.0115 8.4770 119.0653 59.8594 29.4343 179.1522 186 Q 3.9930 8.0224 116.9444 58.9150 28.6536 178.7046 187 A 3.9869 8.3427 122.2819 54.7884 18.3228 179.6417 188 L 3.8988 8.7287 118.2400 58.3060 41.6902 179.4702 189 T 3.8503 7.7898 115.5656 66.9088 68.4679 176.1156 190 Q 3.9640 7.9392 120.9003 59.2982 29.1533 178.8183 191 V 3.5833 8.0363 120.4272 65.0075 31.2876 178.4218 192 T 3.6703 8.2188 116.7663 66.5860 68.4414 176.4246 193 T 3.9842 8.0560 117.8579 67.0833 68.6285 176.3641 194 E 4.1515 8.1950 120.0901 59.3963 29.4295 179.4770 195 L 3.7357 7.5240 119.0547 57.4654 41.5186 179.7747 196 V 3.2140 7.8114 118.5922 65.8665 31.5414 178.3467 197 G 2.9221 7.2499 104.8763 47.2081 0.0000 175.3216 198 W 4.3368 8.1206 130.2944 60.3853 30.8074 178.5063 199 T 3.6286 8.5935 116.2422 66.4976 67.9977 176.5781 200 L 4.1640 8.1267 121.0577 58.0186 41.6802 179.2567 201 I 3.7038 7.4891 118.9270 65.0174 36.9126 178.5174 202 T 3.6734 7.2700 114.7876 66.6641 68.4523 176.7170 203 G 2.6042 7.5819 107.3874 47.2541 0.0000 175.4275 204 Q 4.1888 8.2079 121.6608 59.2664 29.1128 178.1004 205 Q 4.0301 7.8213 117.3712 58.0770 29.0646 177.5986 206 D 4.7070 7.2102 117.9744 54.9065 42.7186 177.7101 207 S 4.3264 7.8215 114.4475 61.1490 63.4932 175.7990 208 Q 4.4154 7.9774 121.5803 54.8789 28.0909 176.0049 209 T 4.1430 7.5903 112.9171 62.2429 68.4007 173.2891 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 33 T 8.03 4.19 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 34 I 7.99 4.43 1.80 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 1.26 0.19 0.97 0.00 0.00 35 Y 9.31 4.50 0.00 2.92 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 36 A 8.53 5.05 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 37 P 0.00 4.48 0.00 2.07 2.09 0.00 3.71 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.39 0.00 38 T 9.05 4.31 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 1.23 0.00 0.00 39 V 8.26 3.98 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 0.80 0.00 0.00 0.92 0.00 0.00 40 R 8.35 4.43 0.00 1.82 1.85 0.00 3.42 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 41 V 8.18 4.10 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 0.94 0.00 0.00 0.92 0.00 0.00 42 T 8.42 4.16 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 43 P 0.00 4.11 0.00 1.97 2.20 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.23 0.00 44 N 5.79 4.07 0.00 1.75 1.42 0.00 0.00 7.21 7.71 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 45 P 0.00 4.17 0.00 1.99 2.05 0.00 3.54 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 46 A 8.48 4.11 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 47 W 7.53 4.63 0.00 3.55 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 48 P 0.00 4.55 0.00 2.24 2.12 0.00 3.91 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 49 Q 8.45 4.40 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 50 V 8.40 4.37 0.71 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 0.69 0.00 0.00 -0.18 0.00 0.00 51 S 8.26 4.39 0.00 3.84 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 52 W 7.41 4.77 0.00 3.70 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 53 Q 9.34 4.84 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 54 L 8.76 5.20 0.00 1.90 1.35 1.04 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.98 4.79 0.00 1.79 1.67 0.98 0.58 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 56 V 8.30 4.56 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 0.88 0.00 0.00 1.07 0.00 0.00 57 A 8.65 4.28 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 58 K 8.71 3.74 0.00 1.74 1.81 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.74 7.81 59 P 0.00 4.83 0.00 1.91 1.99 0.00 3.60 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 60 S 8.38 4.93 0.00 3.89 3.93 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 61 A 8.35 4.80 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 62 A 8.54 4.11 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 63 R 8.58 3.98 0.00 1.82 2.04 0.00 3.22 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 64 I 7.72 3.96 1.90 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 1.45 0.77 0.95 0.00 0.00 65 I 7.71 4.20 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 0.89 0.00 0.00 66 D 7.83 4.96 0.00 2.61 2.62 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 67 S 7.30 4.70 0.00 4.00 4.09 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 68 P 0.00 4.79 0.00 2.25 2.33 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 69 R 7.80 4.28 0.00 1.76 1.88 0.00 3.30 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 70 I 8.12 4.33 1.86 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.14 1.03 0.00 0.00 71 N 9.02 5.15 0.00 3.05 2.86 0.00 0.00 6.57 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 72 V 8.95 4.79 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 0.33 0.00 0.00 1.03 0.00 0.00 73 R 9.41 4.93 0.00 1.91 1.92 0.00 3.39 0.00 0.00 3.50 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 74 P 0.00 4.26 0.00 2.01 1.91 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 75 T 7.42 4.72 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 1.17 0.00 0.00 76 P 0.00 4.18 0.00 2.06 2.20 0.00 3.66 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 2.04 2.13 0.00 77 G 7.96 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 78 E 8.31 4.82 0.00 1.98 1.79 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 2.20 2.22 0.00 79 L 8.30 5.10 0.00 1.49 1.54 0.97 0.92 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 80 Q 9.06 4.77 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 81 V 7.98 4.85 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.82 0.00 0.00 82 Y 8.26 4.30 0.00 2.87 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 H 9.08 4.58 0.00 3.18 3.27 0.00 6.05 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.63 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.68 4.57 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 86 G 8.43 4.18 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 0.00 87 W 8.57 5.42 0.00 3.25 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 88 A 8.85 4.41 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 89 Q 7.95 4.56 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 90 P 0.00 4.52 0.00 2.11 2.00 0.00 3.85 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 2.09 2.02 0.00 91 A 7.80 3.13 0.22 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 92 T 7.60 3.64 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 1.18 0.00 0.00 93 D 7.95 4.27 0.00 2.90 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 94 M 7.83 3.92 0.00 1.78 1.79 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.32 0.00 95 L 7.79 3.91 0.00 1.79 1.72 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.31 3.87 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 97 D 8.02 4.36 0.00 2.99 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 98 S 8.04 4.08 0.00 3.98 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 99 V 7.74 3.42 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 1.14 0.00 0.00 0.90 0.00 0.00 100 V 8.10 3.81 2.13 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 1.06 0.00 0.00 1.03 0.00 0.00 101 R 8.44 3.98 0.00 1.96 1.97 0.00 3.26 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 102 A 7.95 3.97 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 0.00 103 F 7.88 4.33 0.00 3.33 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.23 4.02 0.00 2.16 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 2.39 2.48 0.00 105 D 8.19 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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 0.00 114 R 8.17 4.52 0.00 1.78 1.92 0.00 3.25 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 *121 S 7.97 4.32 0.00 3.85 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 0.00 122 D 9.19 4.41 0.00 2.38 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 0.00 0.00 0.00 123 Y 7.66 5.39 0.00 2.71 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 0.00 124 K 8.56 4.98 0.00 1.80 1.65 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.41 7.81 125 L 9.38 5.04 0.00 1.88 1.62 1.22 1.02 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 0.00 126 A 9.37 5.04 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 0.00 127 I 8.39 4.85 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 153 L 9.10 5.05 0.00 1.76 1.58 0.96 0.80 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 0.00 154 H 9.10 5.01 0.00 3.26 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 S 9.01 4.05 0.00 3.81 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 0.00 156 S 6.97 3.92 0.00 3.68 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 0.00 157 D 7.74 4.83 0.00 2.75 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 0.00 158 Q 7.53 3.47 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 159 R 7.60 4.39 0.00 2.28 1.77 0.00 3.08 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 160 V 8.39 3.96 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 0.85 0.00 0.00 0.97 0.00 0.00 161 V 8.92 3.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 1.03 0.00 0.00 162 A 7.71 4.55 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 0.00 163 S 8.85 5.57 0.00 3.94 3.78 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 0.00 164 R 8.11 4.42 0.00 1.40 0.66 0.00 2.21 0.00 0.00 2.80 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 165 T 8.04 4.73 4.09 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 1.15 0.00 0.00 166 F 9.82 4.83 0.00 2.69 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 0.00 167 T 8.53 5.18 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 1.20 0.00 0.00 168 V 8.63 4.50 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 0.88 0.00 0.00 0.95 0.00 0.00 169 A 8.65 5.13 1.12 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 0.00 0.00 170 R 8.76 4.65 0.00 1.56 1.71 0.00 3.24 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 171 P 0.00 4.74 0.00 1.98 1.96 0.00 3.43 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 1.93 2.02 0.00 172 S 9.18 4.24 0.00 3.72 3.71 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 0.00 173 S 8.46 4.45 0.00 3.99 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 0.00 174 S 7.14 4.44 0.00 3.77 3.70 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 0.00 175 T 8.42 4.24 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 1.27 0.00 0.00 176 D 7.77 4.52 0.00 2.72 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 0.00 177 T 8.26 3.27 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 178 A 8.05 3.66 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 0.00 179 A 7.86 3.89 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 0.00 180 V 7.62 3.47 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 1.13 0.00 0.00 0.83 0.00 0.00 181 A 8.26 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 A 8.19 4.01 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 0.00 183 A 7.66 3.94 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 0.00 184 F 8.18 4.04 0.00 3.56 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 0.00 185 E 8.48 4.01 0.00 2.13 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 0.00 2.35 2.48 0.00 186 Q 8.02 3.99 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 187 A 8.34 3.99 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 0.00 188 L 8.73 3.90 0.00 1.97 1.73 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 189 T 7.79 3.85 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 1.26 0.00 0.00 190 Q 7.94 3.96 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 191 V 8.04 3.58 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.85 0.00 0.00 192 T 8.22 3.67 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 1.09 0.00 0.00 193 T 8.06 3.98 4.45 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 1.42 0.00 0.00 194 E 8.20 4.15 0.00 2.12 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 0.00 2.48 2.54 0.00 195 L 7.52 3.74 0.00 1.61 1.58 0.74 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 196 V 7.81 3.21 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 -0.19 0.00 0.00 197 G 7.25 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 0.00 0.00 0.00 198 W 8.12 4.34 0.00 3.80 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 0.00 199 T 8.59 3.63 4.73 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 1.29 0.00 0.00 200 L 8.13 4.16 0.00 1.47 1.69 0.79 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 201 I 7.49 3.70 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.80 0.92 0.00 0.00 202 T 7.27 3.67 3.40 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 0.73 0.00 0.00 203 G 7.58 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 0.00 0.00 0.00 204 Q 8.21 4.19 0.00 2.57 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 205 Q 7.82 4.03 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 206 D 7.21 4.71 0.00 2.37 2.45 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 0.00 207 S 7.82 4.33 0.00 4.17 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 0.00 208 Q 7.98 4.42 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 209 T 7.59 4.14 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 * Residues marked with a * may have inaccurate shift predictions.