NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3881 8.3049 120.3480 54.8140 33.4009 175.0910 2 I 3.6223 8.2482 126.3657 61.4120 37.4589 174.9726 3 S 4.3252 9.0499 121.8310 58.6965 64.3375 174.3010 4 G 3.8599 7.2567 105.1925 45.1330 0.0000 170.5353 5 L 4.2365 7.9085 121.6949 54.4855 42.9481 176.9810 6 S 4.3781 8.5663 121.3625 59.7465 62.8192 173.0569 7 H 4.5356 6.8793 111.3883 55.1703 30.5413 172.4080 8 I 4.4018 7.8670 119.6435 59.7254 39.7938 174.9487 9 T 5.1035 8.4276 122.8023 61.7793 70.6550 173.4537 10 L 4.8421 8.9162 126.2546 52.9308 45.1424 175.3820 11 I 4.9599 8.4325 123.0685 59.9578 38.9958 175.5137 12 V 4.7795 9.2105 119.4417 59.4754 35.5099 177.1674 13 K 4.0800 9.7285 123.7298 58.9306 32.3238 177.4681 14 D 4.5701 7.8436 117.0585 51.5316 43.4871 175.1892 15 L 4.1220 8.6191 128.3390 58.1310 41.7449 179.2803 16 N 4.4377 8.2790 115.8270 56.1698 38.5797 177.5748 17 K 4.0248 8.3435 119.8420 59.8758 32.0958 179.5845 18 T 4.1813 8.1443 116.0471 66.8673 68.3887 176.7755 19 T 3.8876 8.3379 117.6890 66.7552 68.5975 176.4283 20 A 4.0864 8.1528 122.5771 55.0264 18.4490 179.1647 21 F 4.2020 8.5857 119.1500 61.8818 39.5968 177.4730 22 L 3.9178 8.3815 118.4998 57.6049 41.1277 179.7963 23 Q 3.9564 7.8854 117.8840 59.0604 28.6204 178.1679 24 N 4.2774 8.3914 116.4119 55.8471 38.5956 176.8083 25 I 3.8693 7.2102 119.2250 62.7704 38.0387 176.8524 26 F 4.4271 7.6802 114.2975 56.4240 39.0384 175.3949 27 N 4.2758 7.8377 116.8989 53.8313 36.6063 174.5486 28 A 4.2680 8.1071 119.3460 52.2222 19.3965 177.7150 29 E 4.7232 8.9648 120.1429 54.1734 31.5586 175.0804 30 E 4.1677 9.2180 126.7220 56.6157 29.5864 176.2591 31 I 4.5268 8.5729 119.2403 60.9977 39.6378 174.5326 32 Y 4.7541 7.2759 122.7041 56.4358 42.7896 173.3133 33 S 4.1824 5.8514 112.3897 57.2206 65.3561 174.8903 34 S 4.0916 8.5483 127.0448 58.9777 61.7541 178.2163 *42 S 4.2061 9.0931 113.2263 56.8435 63.7594 174.0247 43 K 4.8853 7.6616 132.6517 53.1794 33.8540 171.0146 44 E 5.3898 8.2539 121.5510 54.2418 33.9123 174.1298 45 K 4.9587 9.2761 117.9589 54.9232 37.1927 175.4249 46 F 6.0723 8.5647 120.9312 56.1514 42.0864 174.7134 47 F 5.5099 10.2399 121.1830 55.7979 43.7421 173.6256 48 L 5.2951 8.7540 120.4455 53.2116 44.4870 175.6973 49 I 4.7092 8.4377 123.8888 59.5193 40.7756 175.7340 50 A 3.6974 9.7134 131.8762 53.3114 15.9460 177.4146 51 G 3.8958 8.2363 105.5241 46.5287 0.0000 173.2851 52 L 4.5076 8.2836 123.2351 52.7532 43.0907 175.0826 53 W 4.8415 8.9419 135.0000 57.8379 31.8390 174.3677 54 I 4.9759 9.7463 129.0317 59.6360 39.7311 174.1334 55 C 5.6441 9.2299 128.1091 57.6837 33.9431 172.3175 56 I 5.1536 8.9884 120.2723 59.6520 39.9503 174.6101 57 M 5.4428 9.0462 123.8095 53.3800 36.2686 174.3588 58 E 4.6134 8.9807 123.0584 55.7455 30.6486 176.6699 59 G 4.0311 7.7037 111.0975 46.7358 0.0000 171.6385 60 D 4.6610 8.5868 119.7362 53.8888 41.4411 176.8576 61 S 4.4101 8.3682 119.0844 57.9496 63.6560 174.0962 62 L 4.1341 7.8723 122.3437 54.8933 41.8704 177.8807 63 Q 4.0882 8.6462 123.5915 58.4212 29.3311 175.5266 64 E 4.7754 7.6939 114.0869 54.4611 33.6456 174.5218 65 R 4.5747 8.3315 119.1495 55.1687 31.4565 176.0997 66 T 4.7767 8.0777 110.9070 60.0063 72.0312 172.9619 67 Y 4.4376 8.5120 120.5366 58.1685 39.0777 174.9899 68 N 4.2912 7.5670 116.8600 54.6108 38.8621 173.6636 69 H 4.5547 7.8986 116.9979 55.0203 31.7423 172.3972 70 I 4.3869 7.7919 117.4433 59.2535 39.8086 174.8705 71 A 5.1386 8.2317 127.3122 50.1922 21.3093 175.3504 72 F 4.7942 9.5935 121.5366 55.8334 42.0011 174.5759 73 Q 5.0881 8.7466 123.1998 55.0447 30.5776 174.3988 74 I 4.7378 8.4572 118.6591 59.5424 41.8452 173.8504 75 Q 4.7364 8.8511 120.1070 54.7221 30.6580 177.6776 76 S 4.0950 8.7637 117.4194 62.0530 62.7215 176.6802 77 E 4.2152 8.1433 118.2287 57.9407 29.5527 177.6819 78 E 4.5201 8.1676 118.3009 56.4537 30.2952 177.8309 79 V 3.6294 7.6301 119.1845 66.0282 31.6039 177.6229 80 D 4.3128 8.0155 118.2751 57.2707 40.8498 178.2787 81 E 3.8583 8.0578 117.5579 59.8537 29.4953 178.5731 82 Y 3.8359 8.1565 118.1364 60.7911 37.9058 178.6942 83 T 3.8279 8.0238 116.7506 66.6356 68.3673 176.5523 84 E 3.9328 7.9963 120.2783 59.2588 29.3002 179.3207 85 R 3.7848 8.0811 117.3408 59.5293 30.4645 178.9272 86 I 3.6157 7.7718 119.5426 64.0195 36.8786 178.4343 87 K 4.0231 8.0096 120.0890 58.9627 31.7316 177.7337 88 A 4.4694 7.4858 118.5855 52.4850 18.3403 177.9973 89 L 4.6555 7.9626 117.9238 53.7031 42.3389 177.7688 90 G 4.1266 7.7560 106.6209 45.9938 0.0000 174.6464 91 V 4.0514 7.3062 111.2867 60.6277 32.4772 175.8312 92 E 4.3150 8.8353 122.2806 56.8667 30.4724 175.5477 93 M 5.3504 8.6586 123.8892 53.4969 35.0053 174.8989 94 K 4.4555 8.8160 126.3969 55.4375 32.8861 175.5689 95 P 4.2778 0.0000 0.0000 62.2793 31.8088 175.2956 96 E 3.9373 8.9075 122.2571 56.5046 29.3597 176.8088 97 R 4.2612 8.4806 123.0614 54.4702 30.5115 174.4650 98 P 4.2242 0.0000 0.0000 62.9023 31.2906 176.3334 99 R 4.0296 8.5848 123.0916 56.2938 30.9281 175.4191 100 V 4.4148 7.9936 122.7344 60.4337 33.9046 174.7089 101 Q 4.1499 8.5340 127.1068 57.7171 29.5724 176.6685 102 G 4.0198 9.0813 113.3425 45.2402 0.0000 172.3324 103 E 4.4157 7.7574 119.4801 54.2743 30.5417 177.1033 104 G 4.3050 8.4378 113.4993 45.1953 0.0000 172.1284 105 R 4.6442 8.2151 116.9887 55.4030 32.3182 176.0112 106 S 5.0336 8.4306 115.9525 56.9619 67.1995 173.3628 107 I 4.5362 8.5549 124.1784 59.7082 39.9819 174.0685 108 Y 5.3331 8.6125 124.1414 56.2676 40.9184 174.6682 109 F 5.3859 8.7741 117.5532 56.4295 41.8448 172.4625 110 Y 5.8332 9.1780 117.1993 55.8394 40.4689 176.2049 111 D 4.1039 8.5833 121.8100 53.1136 40.6048 177.0063 112 F 4.8558 7.9147 119.9731 58.0153 39.4865 175.3699 113 D 4.9118 8.8829 121.4923 54.1427 41.6486 176.0873 114 N 4.0737 8.4663 112.8548 54.6282 36.1544 173.4509 115 H 4.6529 8.3144 115.5505 54.5932 30.4432 173.9385 116 L 4.2479 8.1943 125.5617 53.9888 43.4205 175.1270 117 F 5.0118 9.0695 125.3316 55.5343 42.6372 173.9538 118 E 4.9337 9.2091 121.8859 54.3975 33.1899 174.2934 119 L 5.0947 9.0006 126.8807 53.5018 44.1669 174.6328 120 H 5.2654 9.5080 124.8520 54.1581 32.6644 172.5996 121 A 5.4083 8.5138 127.9254 49.8116 20.6262 175.3948 122 G 4.0991 8.6184 109.7462 44.0044 0.0000 173.7249 123 T 4.4260 8.0541 113.3076 59.8049 71.0245 175.3168 124 L 4.0845 8.3943 122.0357 58.2326 41.9154 178.1362 125 E 3.9323 8.2001 118.0267 59.8493 29.1573 178.9776 126 E 3.9356 7.9610 118.2397 59.7138 29.3051 179.5593 127 R 4.2405 7.5895 118.6799 57.7450 28.9543 176.8624 128 L 4.4639 8.0190 120.0491 54.9854 41.9423 177.5972 129 K 4.5320 7.4909 121.8325 53.9014 28.7800 179.8601 130 R 4.3886 7.3756 129.4115 56.7247 37.7400 175.3485 *131 Y 4.2060 7.8559 121.9346 57.0518 36.9064 177.5817 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.39 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 2 I 8.25 3.62 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 1.40 0.25 0.93 0.00 0.00 3 S 9.05 4.33 0.00 3.87 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 4 G 7.26 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 5 L 7.91 4.24 0.00 1.57 1.57 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.57 4.38 0.00 3.86 3.72 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 7 H 6.88 4.54 0.00 2.31 2.09 0.00 5.53 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.87 4.40 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.03 0.88 0.00 0.00 9 T 8.43 5.10 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 1.26 0.00 0.00 10 L 8.92 4.84 0.00 1.62 1.45 1.13 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.43 4.96 1.94 0.00 0.00 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 1.40 0.86 0.94 0.00 0.00 12 V 9.21 4.78 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 0.87 0.00 0.00 1.05 0.00 0.00 13 K 9.73 4.08 0.00 1.86 1.90 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.41 7.81 14 D 7.84 4.57 0.00 2.64 2.50 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 0.00 0.00 0.00 0.00 15 L 8.62 4.12 0.00 1.79 1.81 1.01 0.84 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 16 N 8.28 4.44 0.00 2.93 2.91 0.00 0.00 7.14 7.03 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 17 K 8.34 4.02 0.00 1.79 1.56 0.00 1.43 0.00 0.00 1.15 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.54 7.81 18 T 8.14 4.18 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 1.33 0.00 0.00 19 T 8.34 3.89 4.63 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 1.46 0.00 0.00 20 A 8.15 4.09 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.59 4.20 0.00 3.43 3.34 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 0.00 0.00 0.00 0.00 22 L 8.38 3.92 0.00 1.36 1.22 0.36 0.67 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 23 Q 7.89 3.96 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 24 N 8.39 4.28 0.00 2.65 2.82 0.00 0.00 7.08 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.21 3.87 1.01 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 1.14 0.14 0.03 0.00 0.00 26 F 7.68 4.43 0.00 2.81 2.76 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 0.00 0.00 0.00 0.00 27 N 7.84 4.28 0.00 2.81 2.89 0.00 0.00 6.87 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.11 4.27 1.14 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 0.00 0.00 29 E 8.96 4.72 0.00 2.10 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 2.41 2.30 0.00 30 E 9.22 4.17 0.00 2.03 1.90 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 2.06 1.85 0.00 31 I 8.57 4.53 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.98 0.98 0.00 0.00 32 Y 7.28 4.75 0.00 2.86 2.50 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 0.00 0.00 0.00 0.00 33 S 5.85 4.18 0.00 3.73 3.33 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 0.00 34 S 8.55 4.09 0.00 3.99 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 *42 S 9.09 4.21 0.00 3.68 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 43 K 7.66 4.89 0.00 1.78 1.84 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.22 0.72 7.81 44 E 8.25 5.39 0.00 2.37 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 0.00 2.33 2.49 0.00 45 K 9.28 4.96 0.00 1.80 1.31 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.19 1.41 7.81 46 F 8.56 6.07 0.00 2.94 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 47 F 10.24 5.51 0.00 3.05 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 48 L 8.75 5.30 0.00 1.68 1.63 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.44 4.71 1.88 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 1.09 0.89 0.73 0.00 0.00 50 A 9.71 3.70 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 51 G 8.24 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 52 L 8.28 4.51 0.00 1.80 1.97 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.94 4.84 0.00 3.41 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 54 I 9.75 4.98 2.12 0.00 0.00 1.00 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 1.22 1.02 0.00 0.00 55 C 9.23 5.64 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.99 5.15 2.06 0.00 0.00 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 1.71 1.02 1.11 0.00 0.00 57 M 9.05 5.44 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.70 0.00 58 E 8.98 4.61 0.00 2.05 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 2.36 2.31 0.00 59 G 7.70 4.03 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 0.00 0.00 0.00 60 D 8.59 4.66 0.00 2.69 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 61 S 8.37 4.41 0.00 3.87 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 62 L 7.87 4.13 0.00 1.69 1.69 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.65 4.09 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 64 E 7.69 4.78 0.00 1.93 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 65 R 8.33 4.57 0.00 1.80 2.02 0.00 2.82 0.00 0.00 2.53 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 66 T 8.08 4.78 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 1.23 0.00 0.00 67 Y 8.51 4.44 0.00 2.85 3.04 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 N 7.57 4.29 0.00 2.74 2.67 0.00 0.00 6.74 8.04 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 69 H 7.90 4.55 0.00 3.07 2.95 0.00 5.48 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 70 I 7.79 4.39 1.81 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 0.91 0.85 0.43 0.00 0.00 71 A 8.23 5.14 1.14 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 0.00 0.00 72 F 9.59 4.79 0.00 3.12 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 73 Q 8.75 5.09 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 74 I 8.46 4.74 1.75 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.51 0.40 0.00 0.00 75 Q 8.85 4.74 0.00 2.13 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 76 S 8.76 4.09 0.00 3.86 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 77 E 8.14 4.22 0.00 1.92 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 2.32 2.46 0.00 78 E 8.17 4.52 0.00 2.30 2.32 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 2.30 2.35 0.00 79 V 7.63 3.63 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 1.04 0.00 0.00 0.97 0.00 0.00 80 D 8.02 4.31 0.00 2.75 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.06 3.86 0.00 2.00 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 2.37 1.89 0.00 82 Y 8.16 3.84 0.00 3.18 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 83 T 8.02 3.83 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 1.22 0.00 0.00 84 E 8.00 3.93 0.00 2.14 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 2.49 2.44 0.00 85 R 8.08 3.78 0.00 1.70 1.78 0.00 2.86 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.30 0.00 86 I 7.77 3.62 1.58 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.58 0.46 0.00 0.00 87 K 8.01 4.02 0.00 1.97 1.92 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.47 7.81 88 A 7.49 4.47 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 89 L 7.96 4.66 0.00 1.95 1.87 1.18 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.76 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.31 4.05 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.15 0.00 0.00 92 E 8.84 4.32 0.00 2.09 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 2.47 2.38 0.00 93 M 8.66 5.35 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.65 0.00 94 K 8.82 4.46 0.00 1.86 1.84 0.00 1.86 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.66 1.61 7.81 95 P 0.00 4.28 0.00 2.22 2.11 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 96 E 8.91 3.94 0.00 2.01 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 2.35 2.38 0.00 97 R 8.48 4.26 0.00 1.99 1.97 0.00 3.12 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 98 P 0.00 4.22 0.00 2.21 2.15 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 99 R 8.58 4.03 0.00 1.82 1.90 0.00 3.21 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 100 V 7.99 4.41 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 1.00 0.00 0.00 1.01 0.00 0.00 101 Q 8.53 4.15 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 102 G 9.08 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 7.76 4.42 0.00 2.16 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 2.30 2.26 0.00 104 G 8.44 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 0.00 0.00 0.00 0.00 105 R 8.22 4.64 0.00 1.75 1.94 0.00 3.53 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 106 S 8.43 5.03 0.00 3.61 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 0.00 107 I 8.55 4.54 1.93 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 1.24 0.82 1.01 0.00 0.00 108 Y 8.61 5.33 0.00 2.97 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 0.00 109 F 8.77 5.39 0.00 3.38 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 0.00 110 Y 9.18 5.83 0.00 2.92 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 0.00 111 D 8.58 4.10 0.00 1.85 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 0.00 112 F 7.91 4.86 0.00 3.05 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 0.00 113 D 8.88 4.91 0.00 2.71 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 0.00 114 N 8.47 4.07 0.00 2.83 2.90 0.00 0.00 7.10 8.16 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 0.00 115 H 8.31 4.65 0.00 3.41 2.62 0.00 5.80 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 0.00 116 L 8.19 4.25 0.00 1.49 1.30 0.31 0.75 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 0.00 117 F 9.07 5.01 0.00 2.04 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 0.00 118 E 9.21 4.93 0.00 1.93 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 1.90 1.47 0.00 119 L 9.00 5.09 0.00 1.57 1.39 0.36 0.76 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 0.00 120 H 9.51 5.27 0.00 3.30 3.12 0.00 5.76 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 0.00 121 A 8.51 5.41 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.62 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 0.00 0.00 0.00 123 T 8.05 4.43 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 0.00 124 L 8.39 4.08 0.00 1.78 1.70 0.91 0.87 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 0.00 125 E 8.20 3.93 0.00 2.05 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 2.41 2.42 0.00 126 E 7.96 3.94 0.00 1.97 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 0.00 2.34 2.34 0.00 127 R 7.59 4.24 0.00 1.77 2.16 0.00 3.16 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 128 L 8.02 4.46 0.00 1.86 1.66 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.49 4.53 0.00 1.78 1.64 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.28 7.81 130 R 7.38 4.39 0.00 1.73 1.84 0.00 3.33 0.00 0.00 3.27 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 *131 Y 7.86 4.21 0.00 2.43 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.