NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.6817 8.3344 115.5586 58.5198 64.8770 172.2032 1 M 4.6408 8.7820 120.7657 53.2629 34.7298 173.6907 2 S 4.8208 9.6546 123.3622 58.7657 64.4046 172.6292 3 L 5.0252 8.8551 122.1366 52.0083 45.4181 174.7746 4 P 4.4007 0.0000 0.0000 63.9318 31.7609 176.2229 5 D 4.5072 9.5374 117.7011 55.7449 38.2146 174.5131 6 G 3.7351 8.4270 104.0560 46.1413 0.0000 173.4896 7 F 5.6495 7.6764 117.5284 55.5375 43.0031 173.8602 8 Y 5.3765 8.7343 117.4747 55.6776 41.9452 173.6134 9 I 5.1105 8.9573 120.5809 59.5297 41.4566 174.2725 10 R 5.0427 8.5574 123.1558 55.0032 33.1965 174.3873 11 R 4.5233 8.5121 118.5932 56.0999 30.8769 176.5775 12 M 4.4848 9.0112 122.3323 56.0143 33.1660 175.2336 13 E 4.9217 10.0603 123.5261 54.0363 33.5197 176.7721 14 E 4.1465 9.1964 119.7655 60.0977 29.4219 178.9888 15 G 3.9302 8.1478 103.4936 46.3643 0.0000 174.0032 16 D 4.6549 8.3989 119.5807 53.9436 41.0729 177.6534 17 L 2.9022 7.4495 122.2775 58.0828 41.7002 178.3572 18 E 3.7931 7.8568 118.0187 59.4772 29.5888 178.6966 19 Q 3.9598 7.9053 117.5465 58.9570 28.8281 178.7998 20 V 3.6280 8.5571 119.9519 66.1055 31.5750 178.1858 21 T 3.8340 8.3119 115.9758 66.7012 68.1002 176.0368 22 E 3.9530 8.1592 120.0244 59.6002 29.9672 178.8438 23 T 4.1055 7.8101 115.5566 66.6132 68.7119 177.0841 24 L 4.1046 8.4293 121.0091 57.3498 41.3284 179.3708 25 K 4.1918 7.9438 118.0786 59.7877 31.9988 179.1321 26 V 3.7788 7.5612 111.1186 63.4215 31.4528 178.0000 27 L 4.2506 8.0134 120.1068 56.7352 42.5042 176.1508 28 T 4.4774 7.1084 110.8078 62.7487 72.4714 173.0741 29 T 4.0423 8.3380 119.4508 64.1147 69.0487 174.4679 30 V 3.9893 8.6244 125.0034 64.2223 33.0470 176.7534 31 G 3.8060 7.9168 105.7104 44.8480 0.0000 171.8500 32 T 4.1783 8.2509 116.2025 63.2152 69.1654 174.4293 33 I 4.5349 7.9655 126.6583 59.0298 41.0867 175.5339 34 T 4.2358 8.4319 116.6482 60.5733 71.0303 173.7854 35 P 4.2741 0.0000 0.0000 66.2041 31.1174 178.5119 36 E 3.9638 8.1869 117.7359 59.4528 29.4571 179.4038 37 S 4.0748 8.2538 115.0908 61.5648 62.8826 176.5387 38 F 4.0218 8.4107 123.4444 61.3465 39.1660 176.6902 39 C 4.0608 8.6151 118.8331 62.4576 31.3706 175.7750 40 K 3.9855 7.8446 119.7830 58.8557 31.5662 179.2738 41 L 3.5482 7.4997 120.8468 58.0358 41.8873 178.8848 42 I 3.5528 7.1240 119.7497 64.1435 37.0349 178.1427 43 K 3.8452 7.7763 120.1295 59.7129 32.0515 178.0413 44 Y 4.1767 7.9362 119.5109 60.7791 38.5126 178.2785 45 W 3.9233 8.2537 118.6066 59.3229 29.1647 177.5933 46 N 4.6366 8.3576 114.9394 54.4628 38.3513 176.0847 47 E 4.7174 7.6255 117.8959 55.9056 31.1937 175.3597 48 A 4.2293 7.7593 120.8837 52.5765 18.7866 176.4106 49 T 4.8378 8.2737 111.3486 60.8915 70.9689 174.9277 50 V 4.0304 8.1983 124.1016 61.5692 32.9669 175.5077 51 W 4.4269 8.7346 134.7284 57.8924 32.3164 173.4536 52 N 4.1253 8.4362 124.4369 53.4215 40.1494 176.2857 *58 K 3.9860 9.1896 112.9334 56.0783 33.6168 173.2784 59 I 4.0411 7.8582 126.1547 59.4451 40.2130 174.4095 60 M 4.3384 7.6926 126.5369 54.7669 32.2217 176.3127 61 Q 3.9485 9.0996 125.9347 58.4239 30.4108 175.2742 62 Y 4.7090 7.8628 114.9460 55.8522 40.3256 176.4162 63 N 5.0546 8.5532 119.3216 51.1938 39.6759 171.5558 64 P 4.4561 0.0000 0.0000 62.6260 32.9986 176.5874 65 M 5.1553 9.0722 125.0375 53.5161 35.3851 175.6308 66 V 4.8249 8.6319 113.8132 59.7172 36.2364 174.5822 67 I 4.6175 8.5272 125.3409 59.6817 39.2541 174.6956 68 V 4.5157 8.1726 127.5862 60.9142 34.0602 173.9361 69 D 4.8604 8.8740 128.0828 53.5167 41.4971 177.1597 70 K 4.1923 9.0055 126.8473 59.2327 32.0477 179.1016 71 R 4.0693 8.5068 119.4073 58.5721 30.0149 177.3366 72 T 4.5449 7.4893 103.3876 59.9897 70.1090 173.0580 73 E 3.9568 8.3465 120.7762 58.3457 27.8467 174.3532 74 T 5.0943 7.4774 112.7698 60.6178 72.2452 174.5065 75 V 3.9848 8.6279 125.5294 63.1955 31.5785 175.2957 76 A 4.0843 9.0292 129.6014 52.7288 20.8372 175.9705 77 A 4.8426 7.4003 114.7737 51.7389 22.7512 175.1136 78 T 4.9608 8.7647 113.1560 61.2096 71.4460 172.7863 79 G 4.4466 8.5238 111.6425 45.3870 0.0000 171.5920 80 N 5.5537 8.7954 119.0261 51.4657 42.9224 172.8955 81 I 4.8650 8.0564 123.6427 59.3196 40.8224 174.2841 82 I 4.3867 8.6500 130.5417 59.6308 39.3953 174.5510 83 I 4.6036 8.3177 128.5803 59.8116 38.3798 174.7225 84 E 4.6404 9.0533 128.5330 54.2545 32.2697 174.4026 85 R 4.8085 8.6697 126.9579 55.3354 31.6869 175.2031 86 K 4.7139 8.8910 124.7269 54.8944 35.8498 176.9800 87 I 3.9196 8.3302 120.3287 63.6349 37.8981 177.0214 88 I 3.9591 7.5979 112.6851 61.6716 37.9497 174.5869 89 H 3.5985 8.7460 114.6070 57.7218 26.4476 174.9555 90 E 3.6954 8.9137 112.4242 57.9275 26.8261 174.8556 91 L 4.5996 7.6619 109.7473 54.9551 40.4830 176.1928 92 G 3.9902 7.9742 104.6446 46.5920 0.0000 173.2626 93 L 5.2547 8.6594 120.9443 53.2366 43.9123 175.0263 94 C 4.9119 9.2163 124.4939 57.3911 34.4913 172.8628 95 G 4.1693 8.6230 113.4612 45.4862 0.0000 172.2785 96 H 5.3251 9.0529 120.1116 53.7820 32.0155 172.7031 97 I 4.6427 8.5911 125.5372 60.5772 38.1586 175.3692 98 E 4.6210 8.8973 124.9682 54.2141 34.2276 174.5939 99 D 4.2477 8.4041 117.8549 55.5701 38.4624 174.2209 100 I 4.5837 7.5398 117.8920 61.0216 38.4935 177.3203 101 A 4.5887 9.1027 128.7440 50.4678 22.7685 174.6301 102 V 4.3861 8.2651 122.7828 60.6466 33.3188 174.9225 103 N 4.4718 9.0493 127.4733 54.1149 39.2905 175.9740 104 S 4.2967 8.9468 119.5571 61.1324 63.1896 175.4336 105 K 4.1010 8.4073 118.8997 57.9020 31.9478 176.9906 106 Y 4.7245 8.2053 116.1381 57.6725 38.5188 175.8100 107 Q 4.2077 8.0317 118.8500 56.5540 29.6186 176.5919 108 G 3.9919 8.8543 107.6597 45.7837 0.0000 173.9417 109 Q 4.5269 7.8529 116.3207 55.7865 29.1560 176.5317 110 G 3.9843 8.4466 105.1527 46.9542 0.0000 176.0934 111 L 3.9304 7.7429 121.2276 57.1322 41.4475 179.4093 112 G 3.5717 7.9447 105.4530 47.7905 0.0000 175.4804 113 K 3.9582 8.2382 122.2986 58.9964 32.2351 178.6068 114 L 3.9952 7.8943 119.2724 57.5993 41.4263 179.2771 115 L 3.8957 8.1741 120.5016 58.2212 41.9897 179.1194 116 I 3.7527 7.9785 119.8132 64.5750 37.0736 178.0850 117 D 4.4004 8.5782 120.1163 57.5875 40.6360 179.0695 118 Q 3.9948 8.2869 118.5065 58.9262 28.6786 178.7001 119 L 3.9716 8.2157 120.3487 57.6293 41.5501 179.7213 120 V 3.2881 8.1001 118.5473 66.0758 31.3660 178.0287 121 T 3.8819 7.8257 115.4317 66.8708 68.4076 176.4294 122 I 3.5581 7.7707 121.5073 64.2325 37.1027 178.7877 123 G 3.4640 8.0461 106.4406 47.9793 0.0000 175.8846 124 F 4.6851 8.1668 121.1750 60.2667 38.6854 177.5981 125 D 4.3676 8.3484 118.0292 56.9537 40.6492 177.4749 126 Y 4.7255 7.5635 115.2674 58.4321 38.1656 176.2247 127 G 4.0905 8.1719 108.9151 45.2669 0.0000 173.6443 128 C 4.5381 7.8828 117.4913 59.8251 28.5169 173.8648 129 Y 4.3891 8.5952 122.4064 59.3329 38.3302 175.4434 130 K 4.7006 6.8761 117.5415 55.8537 35.9810 174.6590 131 I 4.9435 8.0766 121.1672 59.4799 40.4355 174.7956 132 I 4.9016 8.7409 119.9214 59.3419 41.0924 174.0390 133 L 4.6846 8.1135 121.0124 55.1849 42.9278 173.8914 134 D 4.9174 8.4351 119.5433 52.6923 43.2842 175.3985 135 C 4.7869 7.9475 115.8937 56.4324 33.0689 173.2968 136 D 4.6177 8.3936 119.4275 53.8383 41.5037 177.3870 137 E 3.9862 9.0750 121.8615 59.8229 29.2653 179.9442 138 K 4.2050 8.1026 115.8295 58.8344 32.9474 177.4645 139 N 4.8862 8.1523 117.0664 53.0003 39.1126 176.3833 140 V 3.7468 7.8495 121.8618 66.2439 31.5646 178.0285 141 K 4.2767 8.0700 118.8561 58.7881 31.7192 178.7494 142 F 4.0659 8.2180 119.3909 61.7861 39.6262 176.4511 143 Y 3.6395 7.9887 116.0431 60.8406 37.4837 178.3931 144 E 4.7957 8.2846 120.9933 58.7356 29.3281 179.2614 145 K 4.1601 7.9049 117.5177 58.4759 32.0714 177.9370 146 C 4.5022 7.6322 115.5399 59.1701 28.4374 174.3731 147 G 3.9470 8.1999 109.4497 45.1527 0.0000 174.0569 148 F 4.5263 8.1611 118.5013 56.5224 40.2330 174.6478 149 S 4.9788 8.2002 115.8131 55.9599 65.8900 173.4409 150 N 4.3389 8.8873 120.4090 54.1548 38.9459 174.3634 151 A 4.6689 8.9735 126.2324 50.8335 21.0688 175.4852 152 G 3.9046 6.9136 100.9227 45.8148 0.0000 171.3323 153 V 4.2947 8.1061 118.5130 60.7358 33.5299 175.1718 154 E 4.2675 8.7401 128.0759 55.7089 30.1675 175.2436 155 M 4.8082 8.4415 125.5819 53.6878 34.7513 174.9293 156 Q 4.6428 8.1325 117.6432 54.8280 31.8944 173.9233 157 I 4.6018 8.0362 117.8000 59.4562 41.0910 174.4771 158 R 4.6904 8.3073 125.3506 54.0265 32.8084 175.9404 159 K 4.1279 8.4638 119.7751 56.8399 32.2336 176.7312 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 0 S 8.33 4.68 0.00 4.29 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 1 M 8.78 4.64 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 2 S 9.65 4.82 0.00 3.83 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 3 L 8.86 5.03 0.00 1.71 1.62 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.40 0.00 2.26 2.03 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 5 D 9.54 4.51 0.00 3.06 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 6 G 8.43 3.74 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 0.00 0.00 0.00 7 F 7.68 5.65 0.00 3.17 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 8 Y 8.73 5.38 0.00 3.20 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 9 I 8.96 5.11 1.86 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 1.29 1.88 1.02 0.00 0.00 10 R 8.56 5.04 0.00 2.01 2.18 0.00 3.11 0.00 0.00 3.49 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 11 R 8.51 4.52 0.00 1.77 1.95 0.00 3.26 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 12 M 9.01 4.48 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.85 0.00 13 E 10.06 4.92 0.00 2.08 1.87 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 2.28 2.46 0.00 14 E 9.20 4.15 0.00 2.04 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 2.33 2.38 0.00 15 G 8.15 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 0.00 0.00 0.00 16 D 8.40 4.65 0.00 3.00 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 17 L 7.45 2.90 0.00 0.50 1.28 0.38 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.86 3.79 0.00 2.04 1.87 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 2.35 2.43 0.00 19 Q 7.91 3.96 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 20 V 8.56 3.63 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 1.17 0.00 0.00 1.05 0.00 0.00 21 T 8.31 3.83 4.33 0.00 0.00 0.00 0.00 0.00 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 22 E 8.16 3.95 0.00 2.01 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 2.35 2.44 0.00 23 T 7.81 4.11 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 1.23 0.00 0.00 24 L 8.43 4.10 0.00 1.74 1.76 1.04 0.94 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 25 K 7.94 4.19 0.00 1.93 1.91 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.64 7.81 26 V 7.56 3.78 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 0.77 0.00 0.00 1.06 0.00 0.00 27 L 8.01 4.25 0.00 1.58 1.84 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.11 4.48 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 29 T 8.34 4.04 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 1.22 0.00 0.00 30 V 8.62 3.99 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 0.81 0.00 0.00 0.95 0.00 0.00 31 G 7.92 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 0.00 0.00 0.00 32 T 8.25 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 1.20 0.00 0.00 33 I 7.97 4.53 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.47 0.97 0.00 0.00 34 T 8.43 4.24 4.56 0.00 0.00 0.00 0.00 0.00 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 35 P 0.00 4.27 0.00 2.31 2.36 0.00 3.70 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 2.08 2.06 0.00 36 E 8.19 3.96 0.00 2.08 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 2.40 2.47 0.00 37 S 8.25 4.07 0.00 4.03 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 38 F 8.41 4.02 0.00 3.06 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.62 4.06 0.00 3.11 3.14 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 0.00 40 K 7.84 3.99 0.00 1.86 1.74 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.56 7.81 41 L 7.50 3.55 0.00 1.31 1.16 -0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.12 3.55 1.80 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.51 0.90 0.00 0.00 43 K 7.78 3.85 0.00 1.92 2.01 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.46 7.81 44 Y 7.94 4.18 0.00 2.91 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 45 W 8.25 3.92 0.00 3.35 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 46 N 8.36 4.64 0.00 2.87 2.89 0.00 0.00 6.92 7.52 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 47 E 7.63 4.72 0.00 1.97 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 2.28 2.60 0.00 48 A 7.76 4.23 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 49 T 8.27 4.84 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 1.28 0.00 0.00 50 V 8.20 4.03 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 0.67 0.00 0.00 0.94 0.00 0.00 51 W 8.73 4.43 0.00 3.32 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 52 N 8.44 4.13 0.00 2.57 1.99 0.00 0.00 7.14 6.68 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 *58 K 9.19 3.99 0.00 1.78 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 59 I 7.86 4.04 1.58 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.39 0.10 0.00 0.00 60 M 7.69 4.34 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 61 Q 9.10 3.95 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 1.94 2.41 0.00 62 Y 7.86 4.71 0.00 2.62 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 0.00 0.00 0.00 0.00 63 N 8.55 5.05 0.00 2.78 2.68 0.00 0.00 6.65 8.15 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 64 P 0.00 4.46 0.00 1.97 1.14 0.00 3.54 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.58 0.00 65 M 9.07 5.16 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.78 0.00 66 V 8.63 4.82 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 67 I 8.53 4.62 1.64 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.61 0.00 0.00 68 V 8.17 4.52 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.58 0.00 0.00 69 D 8.87 4.86 0.00 2.83 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 70 K 9.01 4.19 0.00 1.76 1.91 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.73 1.77 7.81 71 R 8.51 4.07 0.00 1.90 1.98 0.00 3.03 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 72 T 7.49 4.54 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 1.26 0.00 0.00 73 E 8.35 3.96 0.00 2.16 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 0.00 2.33 2.47 0.00 74 T 7.48 5.09 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 75 V 8.63 3.98 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 0.74 0.00 0.00 0.97 0.00 0.00 76 A 9.03 4.08 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 77 A 7.40 4.84 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 78 T 8.76 4.96 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 1.24 0.00 0.00 79 G 8.52 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 0.00 0.00 0.00 0.00 80 N 8.80 5.55 0.00 2.62 2.52 0.00 0.00 6.87 7.84 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 81 I 8.06 4.87 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.15 0.88 0.00 0.00 82 I 8.65 4.39 1.67 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.45 0.38 0.00 0.00 83 I 8.32 4.60 1.70 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 1.00 0.66 0.84 0.00 0.00 84 E 9.05 4.64 0.00 1.95 1.96 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 2.23 2.20 0.00 85 R 8.67 4.81 0.00 1.99 1.97 0.00 3.64 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 86 K 8.89 4.71 0.00 1.88 1.79 0.00 1.96 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.50 7.81 87 I 8.33 3.92 1.89 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 1.48 0.97 0.92 0.00 0.00 88 I 7.60 3.96 1.71 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 0.90 0.00 0.00 89 H 8.75 3.60 0.00 2.79 2.86 0.00 5.85 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 90 E 8.91 3.70 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 91 L 7.66 4.60 0.00 1.95 2.02 1.30 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 92 G 7.97 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 93 L 8.66 5.25 0.00 1.68 1.62 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 94 C 9.22 4.91 0.00 2.87 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 95 G 8.62 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 0.00 0.00 0.00 96 H 9.05 5.33 0.00 2.93 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.59 4.64 1.80 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 1.20 0.48 0.89 0.00 0.00 98 E 8.90 4.62 0.00 1.81 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 2.34 2.40 0.00 99 D 8.40 4.25 0.00 2.85 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 0.00 100 I 7.54 4.58 1.93 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 1.31 0.86 0.93 0.00 0.00 101 A 9.10 4.59 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 0.00 102 V 8.27 4.39 2.02 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 0.79 0.00 0.00 0.83 0.00 0.00 103 N 9.05 4.47 0.00 2.88 2.99 0.00 0.00 6.52 7.80 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 0.00 104 S 8.95 4.30 0.00 4.02 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 0.00 105 K 8.41 4.10 0.00 1.67 1.50 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.38 7.81 106 Y 8.21 4.72 0.00 2.94 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 0.00 107 Q 8.03 4.21 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 108 G 8.85 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 0.00 109 Q 7.85 4.53 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.92 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 110 G 8.45 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 0.00 111 L 7.74 3.93 0.00 1.56 1.50 0.46 -0.27 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 0.00 112 G 7.94 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.24 3.96 0.00 1.86 1.86 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.44 7.81 114 L 7.89 4.00 0.00 1.83 1.64 0.83 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.17 3.90 0.00 1.71 1.87 0.88 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.98 3.75 1.90 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.96 1.06 0.00 0.00 117 D 8.58 4.40 0.00 2.83 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 0.00 118 Q 8.29 3.99 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 119 L 8.22 3.97 0.00 1.80 1.68 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.10 3.29 2.27 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 1.01 0.00 0.00 1.02 0.00 0.00 121 T 7.83 3.88 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 1.24 0.00 0.00 122 I 7.77 3.56 1.96 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 1.33 1.05 0.83 0.00 0.00 123 G 8.05 3.46 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 0.00 0.00 0.00 124 F 8.17 4.69 0.00 3.04 2.96 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 0.00 125 D 8.35 4.37 0.00 2.51 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.56 4.73 0.00 3.21 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 0.00 127 G 8.17 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 0.00 0.00 0.00 128 C 7.88 4.54 0.00 3.09 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 8.60 4.39 0.00 3.01 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 0.00 130 K 6.88 4.70 0.00 1.68 1.66 0.00 1.38 0.00 0.00 1.83 0.00 0.00 2.65 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.33 1.10 7.81 131 I 8.08 4.94 1.55 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.13 0.86 0.00 0.00 132 I 8.74 4.90 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.09 0.83 0.00 0.00 133 L 8.11 4.68 0.00 1.34 1.45 -0.18 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.44 4.92 0.00 2.60 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 0.00 135 C 7.95 4.79 0.00 3.09 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 0.00 136 D 8.39 4.62 0.00 2.76 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 0.00 137 E 9.08 3.99 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 138 K 8.10 4.21 0.00 1.92 1.96 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.54 7.81 139 N 8.15 4.89 0.00 3.03 3.10 0.00 0.00 6.45 7.85 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 0.00 140 V 7.85 3.75 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.98 0.00 0.00 141 K 8.07 4.28 0.00 1.90 1.89 0.00 2.04 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.40 7.81 142 F 8.22 4.07 0.00 2.87 3.15 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 0.00 143 Y 7.99 3.64 0.00 3.16 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 0.00 144 E 8.28 4.80 0.00 2.18 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 2.55 2.60 0.00 145 K 7.90 4.16 0.00 1.68 1.75 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.61 7.81 146 C 7.63 4.50 0.00 3.13 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.20 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 0.00 148 F 8.16 4.53 0.00 3.31 3.02 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 0.00 149 S 8.20 4.98 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 0.00 150 N 8.89 4.34 0.00 2.74 2.81 0.00 0.00 6.75 7.96 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 0.00 151 A 8.97 4.67 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 0.00 152 G 6.91 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 V 8.11 4.29 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 0.84 0.00 0.00 0.94 0.00 0.00 154 E 8.74 4.27 0.00 2.12 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 2.27 2.42 0.00 155 M 8.44 4.81 0.00 2.02 1.94 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 2.51 2.43 0.00 156 Q 8.13 4.64 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 157 I 8.04 4.60 1.88 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 1.42 0.92 0.92 0.00 0.00 158 R 8.31 4.69 0.00 1.81 1.81 0.00 3.26 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 159 K 8.46 4.13 0.00 1.72 1.69 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.