NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.3860 8.3193 115.2852 57.8070 63.5759 173.4366 7 S 4.1765 8.4367 121.1465 57.4046 63.7539 171.6154 8 N 4.7846 9.6812 122.9526 52.5324 41.3354 174.5199 9 T 4.8692 8.3222 123.0329 61.7010 71.6075 173.5304 10 V 4.5729 8.4463 125.5956 61.0463 34.6174 174.2414 11 V 4.7468 8.9569 128.7608 61.5163 33.1481 174.6126 12 V 5.1023 8.6919 128.6438 60.0810 33.5690 174.3850 13 Y 5.3608 8.5172 122.4679 55.7635 41.8481 173.0112 14 H 5.0854 9.0700 120.9668 54.2453 32.2709 173.5175 15 S 4.4482 8.4431 119.4898 56.2977 64.5706 173.5898 16 G 3.3308 8.2479 115.1412 46.1940 0.0000 172.3596 17 Y 4.0970 8.1991 123.9086 57.0466 35.6936 170.5773 18 G 4.1033 8.3071 106.9924 45.4771 0.0000 174.9236 19 H 4.2512 8.1659 116.8258 58.9255 28.9870 176.8101 20 T 4.1530 7.9420 112.1910 64.6498 67.8977 174.7811 21 H 4.0521 8.3357 121.2854 59.2887 30.2380 177.6546 22 R 4.3631 7.8871 116.2974 56.1230 29.4229 177.8853 *24 A 3.8061 8.1767 120.5457 51.5782 20.3271 179.5330 25 E 3.7201 7.8418 115.0506 59.5017 29.4080 179.5210 26 A 3.8745 7.7167 120.5007 55.1070 18.3872 179.9176 27 V 3.4478 7.2977 115.8988 65.9182 31.6383 177.6205 28 A 3.8688 8.3232 120.9313 55.2508 18.0305 178.9709 29 E 3.8806 8.4572 118.1083 59.5521 29.6050 179.4120 30 G 3.5117 7.9822 105.2616 47.5451 0.0000 174.8144 31 A 4.2514 7.9637 120.1388 51.1416 19.9166 176.7148 32 E 3.5781 7.3479 116.4776 57.0203 27.5889 173.9850 33 A 4.7992 7.9733 119.7901 50.8961 21.6195 178.4408 34 T 4.3943 8.1312 109.2464 60.9397 71.0644 173.6844 35 L 5.3047 8.2800 122.3824 53.5385 44.3320 175.7049 36 H 4.8529 9.7506 119.6495 54.0531 32.9846 171.9711 37 A 4.0771 8.3497 124.9228 49.6960 20.5977 176.2449 38 I 3.8750 7.9505 125.4679 60.9884 37.8569 176.5230 39 D 4.5078 9.1061 127.4329 52.1620 40.5218 176.9037 40 A 3.8561 8.3900 121.1495 54.5032 18.2621 177.9994 41 E 4.6586 8.3234 113.4856 55.8389 29.8907 176.0721 42 G 3.7421 7.9902 106.9176 46.5938 0.0000 173.3824 43 N 5.1788 8.3714 116.1599 50.7909 41.2177 173.6989 44 L 4.8282 8.4308 123.1672 52.6144 44.8405 176.7596 45 S 4.5432 8.2474 119.9732 58.2552 65.2571 175.1358 46 E 4.4251 8.7658 120.8694 59.2120 29.2229 179.2549 47 D 4.5128 8.2640 119.1694 57.1651 40.8783 178.5599 48 G 3.2992 7.8405 105.8875 47.6714 0.0000 175.7242 49 W 4.4860 8.1186 121.7893 59.2503 29.2107 178.4839 50 A 4.1269 8.4897 120.5649 55.2014 17.6359 179.4138 51 A 3.9538 7.8764 117.9626 55.2814 18.8312 179.5814 52 L 3.8282 8.1580 117.4481 58.1826 41.5777 179.5092 53 D 4.7577 8.4681 116.9279 56.8570 40.8538 177.8580 54 A 4.4733 7.5626 118.0440 51.0339 19.8935 176.9795 55 A 4.1257 6.9635 120.6700 51.7913 19.4700 177.8152 56 D 4.5807 8.8327 121.1014 56.4863 42.2524 176.4180 57 A 5.3254 7.4570 118.9133 49.6352 23.1352 174.9865 58 I 4.4076 7.4312 121.3262 59.2885 40.7193 174.3695 59 I 4.7833 8.3973 128.3418 59.4573 39.7358 174.7646 60 F 5.4877 9.1164 126.8464 56.6886 40.6864 175.0755 61 G 3.2949 8.9486 110.5323 44.2325 0.0000 171.6977 62 T 5.0474 7.9421 117.7968 59.9352 71.2105 171.2998 63 P 4.9021 0.0000 0.0000 63.2455 33.2554 174.9837 64 T 4.7947 8.1392 118.0322 61.5210 70.7804 174.9699 65 Y 4.6063 8.8718 130.1452 56.7427 39.0063 176.1107 *67 G 3.9336 8.0694 105.7812 44.7941 0.0000 171.7707 68 G 4.0666 7.7156 108.0959 43.7285 0.0000 171.1693 69 P 4.8301 0.0000 0.0000 61.6081 31.9379 176.9813 70 S 4.2825 8.2354 116.1707 58.6637 64.5399 175.6880 71 W 4.3671 8.8575 120.9052 60.1177 27.6779 178.5756 72 Q 3.2077 6.7456 118.1020 58.3421 27.9723 178.1524 73 F 3.9571 7.7323 121.1792 61.2351 39.3235 177.1205 74 K 3.9639 8.2811 119.2543 59.2820 32.0642 178.5154 75 K 3.8266 8.5633 120.4654 59.6463 32.0916 178.5208 76 F 4.3025 8.1372 120.1259 61.1097 39.0868 177.0016 77 A 3.4214 7.6349 119.5722 55.1402 18.5249 178.9534 78 D 4.3242 8.7956 117.7921 57.4969 40.7802 178.8879 79 A 4.0661 7.8974 120.7426 54.1942 18.4214 178.8724 80 S 4.2264 7.6208 111.7461 59.1231 63.0968 176.0578 81 S 4.1951 7.8784 119.7418 61.8511 62.4371 176.2355 82 K 3.8821 7.6870 123.4471 58.8295 31.9420 177.0140 83 P 4.2365 0.0000 0.0000 65.4293 30.9312 178.0756 84 W 4.0319 8.0279 128.4816 60.3044 30.3686 177.7762 85 F 3.6963 8.2684 120.0668 60.4156 38.8155 176.2263 86 S 4.2689 7.4605 110.0144 56.7886 63.5185 173.5250 87 A 3.8150 7.6289 123.5813 53.0895 16.5961 180.1256 88 K 4.1080 8.2035 120.8539 60.4038 32.4426 178.4100 89 W 5.0659 8.2041 116.5038 56.1911 29.5561 175.3439 90 Q 4.7818 7.8772 119.8305 57.2778 28.7162 176.4216 91 D 4.6822 9.2840 123.4014 54.6795 39.5442 174.3659 92 K 4.2718 7.8889 119.0212 56.2817 33.6805 176.0378 93 V 4.4315 8.0338 122.4154 62.1837 32.8904 174.9095 94 F 5.4918 8.8818 126.3349 55.0735 42.8120 174.5778 95 G 3.6577 7.9453 107.1216 45.2617 0.0000 170.7864 96 G 5.1461 8.8572 105.8566 45.7298 0.0000 172.1384 97 F 5.3347 8.7500 113.8889 56.4129 41.5281 172.8939 98 T 5.7021 8.6313 113.8566 61.5091 70.7586 172.5601 99 N 5.1747 8.4150 119.9918 52.2057 40.6033 173.6855 100 S 4.9677 8.7581 116.7619 56.7446 67.0703 174.0423 101 A 4.5873 8.7613 120.8344 52.9297 19.5923 177.2243 102 S 4.4296 7.6112 116.7048 57.3154 65.5392 176.2888 103 L 4.1082 8.6334 131.0045 56.5245 40.0694 177.5813 104 N 4.4905 9.0528 120.4373 54.7748 38.5727 176.5336 105 G 3.7454 8.6645 106.6576 48.7746 0.0000 174.8182 106 D 4.4865 8.4208 122.3512 56.5181 41.5454 178.7359 107 K 4.1141 7.5088 120.2394 58.5781 31.8680 178.9758 108 L 3.9797 7.8235 120.6186 57.9525 41.9742 178.3708 109 N 4.2877 7.9690 117.2145 57.0656 38.9321 176.9361 110 T 3.9163 7.8713 116.4537 66.6648 68.6434 176.4821 111 L 4.0428 7.9209 120.8317 58.0038 41.6999 179.5951 112 Q 3.8648 8.4350 118.3480 59.0086 28.4926 178.3327 113 Y 4.0302 8.0869 120.6651 60.6290 38.8198 178.1179 114 L 3.8349 7.6678 119.5167 57.5284 41.6133 179.6343 115 V 2.6543 7.1831 118.1932 65.5883 31.3343 178.0211 116 L 3.8163 7.4376 118.6409 57.5870 41.2595 179.3534 117 L 3.6566 7.5776 120.0605 57.9572 41.9965 178.7662 118 A 3.3097 8.1695 120.8728 54.9414 18.3070 179.9040 119 G 3.5135 8.3417 104.5073 48.0056 0.0000 175.5282 120 Q 4.1656 8.2149 121.4960 59.1754 29.4000 177.5776 121 H 4.9130 8.1589 114.9451 55.1447 29.1470 175.5964 122 G 4.1817 8.7460 110.1998 46.7281 0.0000 174.0766 123 G 4.6214 8.1564 107.0345 44.8221 0.0000 173.5877 124 L 5.0320 9.0321 119.5540 52.7013 44.1194 175.7955 125 W 5.1147 8.9138 133.1397 55.8536 32.3885 175.0484 126 V 4.2549 7.3940 127.9936 61.3647 31.7728 175.7540 127 S 5.7674 8.6856 122.7457 56.7033 64.8190 173.5394 128 L 4.2448 8.6873 123.5580 54.7424 42.3611 177.2908 129 G 4.0738 8.5921 116.0724 45.9962 0.0000 174.2233 *149 Y 4.7724 7.8527 118.5658 57.7292 40.3180 177.9429 150 I 3.9174 7.9579 119.0265 63.3948 38.4447 174.8619 151 A 4.0935 7.1903 120.3142 50.7805 21.2375 173.3941 152 P 4.2365 0.0000 0.0000 62.1285 32.9268 174.8716 *154 A 4.1546 8.0599 118.5171 51.7657 20.0439 175.8245 155 Q 4.5958 8.2171 120.2406 56.1047 29.8945 175.5000 156 S 4.8541 8.8306 120.5887 56.8308 66.8721 173.4702 *164 E 3.9169 8.6456 120.7156 56.1831 30.6707 176.2194 *166 S 4.2447 8.0449 114.7899 58.2164 65.4493 175.1853 167 V 3.6341 8.1985 122.6461 65.8803 31.3868 178.2953 168 G 3.8796 8.1754 105.2495 48.3321 0.0000 175.1282 169 D 4.3466 8.0379 121.6033 56.8462 40.7423 178.9091 170 L 3.8869 7.8569 119.5580 57.5633 41.4727 179.2814 171 E 3.8673 8.8552 119.9340 59.4564 29.6516 178.8688 172 T 3.8112 7.8934 109.6918 64.7585 68.6488 176.0657 173 A 3.9090 8.1613 123.7695 54.8736 18.4205 179.6252 174 R 3.9344 8.1700 117.3711 59.4949 30.1824 178.5410 175 L 3.9580 8.1751 119.1723 58.0788 41.6148 178.8617 176 Y 4.2651 8.2515 119.4532 60.7701 38.6970 178.5142 177 G 3.3746 8.1708 106.4085 47.6411 0.0000 175.5735 178 A 4.3496 7.9758 124.4545 54.3756 18.4667 179.7300 179 R 3.8067 7.8777 117.3735 59.1791 30.0208 179.0018 180 V 3.2467 7.5382 118.0917 65.7495 31.5267 177.8515 181 A 3.8259 7.7450 120.5499 55.0752 18.0183 179.1024 182 N 4.1766 8.0574 115.5670 56.8869 38.8139 177.3682 183 V 3.5640 7.3973 117.9555 65.8231 31.6546 177.6142 184 A 4.0724 7.8565 120.0411 54.8763 17.8966 179.6090 185 R 3.9733 8.0347 116.9104 59.4586 30.0125 178.8261 186 Q 4.1523 7.6828 117.0657 58.0250 30.1264 175.6217 187 H 4.7426 7.6911 118.2361 55.0290 30.2815 172.7675 188 K 4.2021 7.8087 124.8678 56.6261 32.0602 175.4324 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 6 S 8.32 4.39 0.00 3.82 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 7 S 8.44 4.18 0.00 4.02 3.79 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 N 9.68 4.78 0.00 2.83 2.66 0.00 0.00 7.13 7.30 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 9 T 8.32 4.87 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 1.09 0.00 0.00 10 V 8.45 4.57 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 0.97 0.00 0.00 0.92 0.00 0.00 11 V 8.96 4.75 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.93 0.00 0.00 12 V 8.69 5.10 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 0.86 0.00 0.00 0.31 0.00 0.00 13 Y 8.52 5.36 0.00 3.16 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 14 H 9.07 5.09 0.00 3.05 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.44 4.45 0.00 4.08 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 16 G 8.25 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 0.00 0.00 0.00 17 Y 8.20 4.10 0.00 3.09 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 18 G 8.31 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 19 H 8.17 4.25 0.00 3.24 3.63 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.94 4.15 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 21 H 8.34 4.05 0.00 3.36 3.55 0.00 5.92 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 22 R 7.89 4.36 0.00 1.89 1.91 0.00 3.38 0.00 0.00 3.22 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 *24 A 8.18 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.84 3.72 0.00 1.99 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 2.15 2.07 0.00 26 A 7.72 3.87 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 27 V 7.30 3.45 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 1.05 0.00 0.00 0.39 0.00 0.00 28 A 8.32 3.87 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 29 E 8.46 3.88 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 30 G 7.98 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.96 4.25 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 0.00 0.00 32 E 7.35 3.58 0.00 1.96 1.91 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 2.21 2.17 0.00 33 A 7.97 4.80 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 34 T 8.13 4.39 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 35 L 8.28 5.30 0.00 1.55 1.77 0.85 0.91 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 36 H 9.75 4.85 0.00 2.89 2.99 0.00 5.59 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 37 A 8.35 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.95 3.87 1.64 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.02 0.77 0.00 0.00 39 D 9.11 4.51 0.00 2.80 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 40 A 8.39 3.86 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 41 E 8.32 4.66 0.00 2.14 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 2.39 2.41 0.00 42 G 7.99 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 43 N 8.37 5.18 0.00 3.22 2.78 0.00 0.00 6.46 6.28 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 44 L 8.43 4.83 0.00 1.25 1.06 0.64 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.25 4.54 0.00 4.15 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 46 E 8.77 4.43 0.00 2.18 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 2.48 2.60 0.00 47 D 8.26 4.51 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.84 3.30 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 49 W 8.12 4.49 0.00 3.54 3.35 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 0.00 50 A 8.49 4.13 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.88 3.95 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 52 L 8.16 3.83 0.00 2.12 1.49 0.65 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.47 4.76 0.00 2.97 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 54 A 7.56 4.47 1.35 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 0.00 0.00 0.00 55 A 6.96 4.13 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 56 D 8.83 4.58 0.00 2.63 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 57 A 7.46 5.33 0.94 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 0.00 0.00 58 I 7.43 4.41 0.59 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.15 0.32 0.00 0.00 59 I 8.40 4.78 1.95 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 1.02 0.83 1.30 0.00 0.00 60 F 9.12 5.49 0.00 3.14 2.90 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 61 G 8.95 3.29 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 0.00 62 T 7.94 5.05 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 0.66 0.00 0.00 63 P 0.00 4.90 0.00 2.15 2.01 0.00 3.64 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 64 T 8.14 4.79 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 65 Y 8.87 4.61 0.00 2.97 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 *67 G 8.07 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 68 G 7.72 4.07 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 0.00 69 P 0.00 4.83 0.00 2.30 2.03 0.00 3.31 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.73 0.00 70 S 8.24 4.28 0.00 3.91 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 71 W 8.86 4.37 0.00 3.54 3.37 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 72 Q 6.75 3.21 0.00 1.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.93 0.00 0.00 0.00 0.00 0.00 1.67 1.16 0.00 73 F 7.73 3.96 0.00 3.16 3.18 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 74 K 8.28 3.96 0.00 1.93 1.98 0.00 1.53 0.00 0.00 1.11 0.00 0.00 2.85 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.35 1.46 7.81 75 K 8.56 3.83 0.00 2.19 2.09 0.00 2.04 0.00 0.00 2.05 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.73 1.59 7.81 76 F 8.14 4.30 0.00 3.10 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 77 A 7.63 3.42 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 78 D 8.80 4.32 0.00 2.64 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 79 A 7.90 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.62 4.23 0.00 3.64 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 81 S 7.88 4.20 0.00 4.18 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 82 K 7.69 3.88 0.00 1.61 1.66 0.00 1.51 0.00 0.00 1.44 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.35 7.81 83 P 0.00 4.24 0.00 1.15 2.02 0.00 3.54 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.80 0.00 84 W 8.03 4.03 0.00 3.23 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 85 F 8.27 3.70 0.00 2.99 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 86 S 7.46 4.27 0.00 4.05 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 87 A 7.63 3.82 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 88 K 8.20 4.11 0.00 1.85 2.15 0.00 1.74 0.00 0.00 2.01 0.00 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.43 7.81 89 W 8.20 5.07 0.00 3.68 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 7.88 4.78 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.06 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 91 D 9.28 4.68 0.00 2.94 2.90 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 92 K 7.89 4.27 0.00 1.77 1.34 0.00 1.36 0.00 0.00 1.38 0.00 0.00 3.17 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.61 7.81 93 V 8.03 4.43 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 0.84 0.00 0.00 0.85 0.00 0.00 94 F 8.88 5.49 0.00 3.05 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 95 G 7.95 3.66 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 0.00 0.00 0.00 96 G 8.86 5.15 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 0.00 97 F 8.75 5.33 0.00 3.14 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.63 5.70 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 1.29 0.00 0.00 99 N 8.41 5.17 0.00 3.01 2.96 0.00 0.00 5.41 7.64 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 0.00 100 S 8.76 4.97 0.00 4.06 4.05 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 0.00 101 A 8.76 4.59 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 0.00 102 S 7.61 4.43 0.00 3.83 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 0.00 103 L 8.63 4.11 0.00 1.83 1.81 0.95 0.40 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 0.00 104 N 9.05 4.49 0.00 2.84 2.91 0.00 0.00 6.99 8.31 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 0.00 105 G 8.66 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 0.00 106 D 8.42 4.49 0.00 2.74 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 0.00 107 K 7.51 4.11 0.00 1.64 1.88 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.33 7.81 108 L 7.82 3.98 0.00 1.76 1.68 0.95 0.90 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 0.00 109 N 7.97 4.29 0.00 2.83 2.96 0.00 0.00 7.21 7.17 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 0.00 110 T 7.87 3.92 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 1.17 0.00 0.00 111 L 7.92 4.04 0.00 1.86 1.76 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.43 3.86 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 113 Y 8.09 4.03 0.00 3.01 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 0.00 114 L 7.67 3.83 0.00 1.92 1.93 0.70 0.84 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 0.00 115 V 7.18 2.65 1.77 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 0.75 0.00 0.00 -0.52 0.00 0.00 116 L 7.44 3.82 0.00 1.61 1.53 0.94 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.58 3.66 0.00 1.06 1.56 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.17 3.31 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 0.00 119 G 8.34 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.21 4.17 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 1.71 2.22 0.00 121 H 8.16 4.91 0.00 3.38 3.73 0.00 5.77 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.75 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 0.00 123 G 8.16 4.62 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 0.00 0.00 0.00 124 L 9.03 5.03 0.00 1.62 1.61 0.70 1.30 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 0.00 125 W 8.91 5.11 0.00 3.56 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 0.00 126 V 7.39 4.25 1.65 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 0.66 0.00 0.00 0.72 0.00 0.00 127 S 8.69 5.77 0.00 4.30 4.12 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 0.00 128 L 8.69 4.24 0.00 1.68 1.81 0.80 0.69 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 0.00 129 G 8.59 4.07 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 0.00 *149 Y 7.85 4.77 0.00 3.15 3.10 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 0.00 150 I 7.96 3.92 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.40 1.00 0.00 0.00 151 A 7.19 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.24 0.00 2.14 2.06 0.00 2.77 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.58 0.00 *154 A 8.06 4.15 1.33 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 0.00 0.00 155 Q 8.22 4.60 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 156 S 8.83 4.85 0.00 3.74 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 *164 E 8.65 3.92 0.00 1.98 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 2.19 2.30 0.00 *166 S 8.04 4.24 0.00 4.06 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 0.00 167 V 8.20 3.63 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 1.01 0.00 0.00 0.91 0.00 0.00 168 G 8.18 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.04 4.35 0.00 2.82 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 0.00 170 L 7.86 3.89 0.00 1.78 1.64 0.86 0.74 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 0.00 171 E 8.86 3.87 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 172 T 7.89 3.81 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 1.18 0.00 0.00 173 A 8.16 3.91 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 0.00 174 R 8.17 3.93 0.00 1.88 2.04 0.00 3.06 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 175 L 8.18 3.96 0.00 1.95 1.73 0.90 0.88 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 0.00 176 Y 8.25 4.27 0.00 3.06 3.13 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 0.00 177 G 8.17 3.37 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 0.00 178 A 7.98 4.35 1.35 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 0.00 0.00 0.00 179 R 7.88 3.81 0.00 1.93 1.96 0.00 3.14 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 180 V 7.54 3.25 1.69 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 0.72 0.00 0.00 0.04 0.00 0.00 181 A 7.75 3.83 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 0.00 182 N 8.06 4.18 0.00 2.90 2.88 0.00 0.00 6.83 7.48 0.00 0.00 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 V 7.40 3.56 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 0.79 0.00 0.00 0.89 0.00 0.00 184 A 7.86 4.07 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 0.00 185 R 8.03 3.97 0.00 2.00 1.95 0.00 3.10 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 186 Q 7.68 4.15 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.33 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 187 H 7.69 4.74 0.00 3.15 3.26 0.00 5.79 0.00 0.00 0.00 0.00 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 K 7.81 4.20 0.00 1.99 1.63 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.59 7.81 * Residues marked with a * may have inaccurate shift predictions.