NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.5673 8.4449 120.3951 56.6873 31.3811 172.3643 4 H 3.9228 8.7254 118.2680 56.7359 26.1302 173.6122 5 H 4.4503 8.0524 116.1690 55.3462 30.7647 175.3734 6 H 4.1934 8.7794 121.7235 56.7752 30.1815 173.9844 7 H 4.7930 8.2817 125.3469 54.4168 31.9332 173.5626 8 H 4.4705 8.2509 128.6375 55.7021 31.5943 173.7674 *10 R 4.4906 8.2614 115.0110 56.4358 31.9423 174.8562 11 K 4.6870 9.1477 120.8102 54.6816 36.5962 175.2708 12 I 4.8873 8.0677 124.1057 59.4542 40.7483 173.9048 13 Y 4.5741 8.9807 129.2129 57.6848 39.8904 174.6821 14 I 4.8615 7.8088 128.7635 59.9060 36.5131 174.0073 15 A 4.2404 9.1066 127.8142 49.6959 20.2097 176.7289 16 G 4.7827 8.2380 110.9244 43.5010 0.0000 171.3152 17 P 4.2003 0.0000 0.0000 62.6702 31.4725 177.9164 18 A 3.6221 7.1538 123.7020 55.3144 18.2077 180.6218 19 V 3.4439 7.3415 114.1863 64.4346 31.0766 176.8801 20 F 4.8235 7.4150 116.8788 57.2999 39.2581 175.8350 21 N 4.5491 7.8231 118.8591 52.6029 38.9277 173.1441 22 P 4.3710 0.0000 0.0000 65.7659 31.8817 177.6036 23 D 4.3561 8.0384 117.1168 55.6077 40.2481 178.2543 *25 G 3.4347 7.8230 107.1891 43.4936 0.0000 173.7359 26 A 4.0614 8.1125 123.3117 55.4282 18.3962 180.2516 27 S 4.0459 8.5858 112.6742 61.6811 62.9460 176.0690 28 Y 3.8572 7.7073 122.5837 60.6627 38.6895 177.3467 29 Y 4.1583 7.9826 118.0231 61.1231 37.9377 178.4359 30 N 4.3034 8.6091 117.8713 56.2240 38.6666 177.5938 31 K 3.8383 7.7421 119.5372 59.2314 32.0474 179.5948 32 V 2.8620 7.3128 118.4381 65.7267 31.3244 178.1471 33 R 3.7614 8.2158 118.0572 59.3164 29.6992 178.6771 34 E 3.8538 8.0609 118.8710 59.0696 29.3931 178.6023 35 L 3.8618 7.4236 119.2068 58.2617 42.4849 178.7107 36 L 3.9778 7.8418 118.9476 57.2497 41.5220 179.0738 37 K 3.8564 8.1554 119.8908 59.6994 31.8346 178.8942 38 K 4.1544 7.6120 116.9416 58.4040 31.9284 177.5456 39 E 4.5946 7.8476 115.8743 55.1882 30.1566 174.9184 40 N 4.2337 7.8698 115.9423 54.9115 38.4442 174.0895 41 V 4.9972 7.7520 118.7729 60.3554 34.4105 172.5185 *43 P 4.2194 0.0000 0.0000 62.7724 32.5947 176.5346 44 L 4.4811 8.9830 124.4788 53.5173 43.0525 175.1900 45 I 4.1524 7.8353 125.3172 58.5812 38.6810 175.3182 46 P 4.6925 0.0000 0.0000 64.8505 31.2594 177.1211 47 T 4.2735 7.3074 104.8084 61.4298 69.4286 174.5809 48 D 4.2782 7.9174 123.7815 56.0012 41.2600 175.9473 49 N 4.1189 8.8031 120.8669 53.7677 36.3771 174.4582 50 E 3.8414 8.1769 117.2031 56.2582 30.2598 176.2377 51 A 4.3856 8.4118 129.3932 52.0427 19.6255 176.5070 52 T 4.3404 8.2516 107.6841 62.5137 70.3090 175.4369 53 E 4.4958 7.8615 121.9291 54.4785 31.8134 176.2141 54 A 4.0029 8.6313 125.8006 55.7068 18.4547 180.0342 55 L 3.9188 7.8861 116.5486 57.8865 41.6796 179.4529 56 D 4.3476 7.9869 118.5654 57.2106 40.9075 178.5003 57 I 3.6837 7.8101 120.3238 64.3847 37.0857 178.3339 58 R 3.8314 8.1754 119.6483 59.5947 29.8488 178.2974 59 Q 3.9595 8.2151 119.2597 59.1749 28.8083 178.3752 60 K 3.9915 7.9960 118.6429 59.4471 32.4764 178.8475 61 N 4.5654 8.2808 116.8882 56.3087 38.4298 177.4694 62 I 3.7121 7.9801 121.4126 64.1845 37.1863 179.3328 63 Q 4.2502 8.1379 119.8380 56.2151 28.7507 178.1262 *65 I 3.8644 7.7822 120.4628 60.7311 39.1242 178.2943 66 K 3.9297 8.0475 118.5406 59.3587 31.8915 177.8369 67 D 4.5704 8.0663 116.9750 55.3739 41.2263 176.5102 68 C 4.5127 7.3506 114.2197 57.8005 30.7122 173.0675 69 D 4.7272 8.7427 120.1503 56.0475 41.4521 176.7746 70 A 4.7879 7.7105 117.8227 50.6335 23.1577 174.9847 71 V 4.7936 8.5000 119.1321 61.3047 34.4513 174.4171 72 I 5.0285 8.6158 128.4445 59.7247 39.3855 174.2384 73 A 5.1605 9.2200 130.0311 50.0686 21.4929 174.8439 74 D 3.4495 8.9314 123.9822 52.8918 41.0738 175.5989 75 L 4.5679 8.0212 127.9086 54.5543 41.9095 177.6112 76 S 4.5191 8.2176 115.2505 57.4286 64.2114 172.3811 77 P 4.3515 0.0000 0.0000 63.6258 31.0864 175.5734 78 F 4.7068 8.7076 123.5447 57.2793 41.4362 174.3019 79 R 3.4711 8.9516 128.2626 56.1383 27.6343 175.9869 80 G 3.6185 7.7144 104.4836 44.8891 0.0000 173.6355 81 H 4.4647 8.4020 116.4570 57.1684 29.3589 175.3458 82 E 4.5765 7.9368 119.7143 54.3958 30.5579 174.2449 83 P 5.0795 0.0000 0.0000 61.5304 32.3848 176.2033 84 D 4.5822 8.4206 119.0833 54.5196 42.4400 176.7899 85 C 4.3753 8.9043 122.2222 61.1452 29.8875 176.3480 86 G 3.6136 8.3034 108.0327 48.0487 0.0000 175.6518 87 T 4.1976 8.6098 119.5945 65.7091 68.4534 176.5310 88 A 3.9543 8.1394 122.6703 55.1383 18.3415 179.2924 89 F 4.0096 8.5337 119.2613 61.6979 38.8958 177.2873 90 E 4.0179 8.3763 118.0142 59.3110 29.1710 179.4891 91 V 3.7380 8.1709 118.7079 65.8613 31.5834 178.3721 92 G 3.4385 8.1235 105.5443 47.6978 0.0000 175.0861 93 C 3.8006 7.8979 121.1006 62.1725 31.5659 175.5826 94 A 3.9302 8.0332 121.9727 55.0521 17.9551 179.3097 95 A 3.9118 8.2415 119.3046 55.4615 18.2466 179.8235 96 A 3.9957 7.8088 117.8275 54.6474 18.4635 178.8137 97 L 4.3279 7.3881 114.5895 53.8594 41.9418 176.3518 98 N 4.3914 7.7866 115.0509 54.3618 38.0994 175.0028 99 K 4.5337 7.8285 126.4929 56.6917 32.4053 180.7745 *101 V 4.1069 8.7314 127.6264 63.6416 32.4741 172.9119 102 L 5.1524 9.1705 128.0033 53.1344 44.9646 175.6636 103 T 5.4590 8.8860 112.7279 60.0338 72.4916 172.5779 104 F 5.8108 9.0162 117.1593 56.1519 42.0344 173.0133 105 T 5.0911 8.8138 113.1616 60.7863 70.1796 174.0518 106 S 4.4033 8.9112 121.1722 59.7114 63.4511 173.8874 107 D 4.5528 8.2893 120.3687 53.0647 42.0388 174.6546 108 R 4.3299 8.4729 124.3270 56.0091 31.0054 177.5920 109 R 4.1477 7.7864 118.4954 56.0491 31.7770 177.7691 110 N 5.1713 8.5852 115.9977 52.3592 38.1935 178.7573 *112 R 4.6034 8.5207 122.6360 57.3709 32.0781 177.4597 113 E 4.0219 8.1610 116.4533 59.2008 29.8889 178.2777 114 K 3.9111 8.1387 117.4554 59.6273 32.0237 177.9455 115 Y 4.0127 7.9896 113.5734 58.2860 38.2498 176.5449 116 G 3.8733 8.7905 107.0863 45.4779 0.0000 172.6575 117 S 4.4668 7.3566 112.7052 57.5320 65.1036 176.0396 118 G 3.9604 8.2960 109.9878 46.3912 0.0000 173.6904 119 V 4.7782 7.3332 111.9834 59.3367 35.7980 175.3639 120 D 4.8232 8.5347 122.2283 52.0913 41.2535 177.0832 121 K 4.0942 8.6926 117.1372 59.5688 32.5602 177.1537 122 D 4.6915 8.2313 117.5620 53.6718 41.0179 175.5645 123 N 4.2829 7.9926 116.1022 54.4297 37.8890 173.5087 124 L 4.5517 8.2383 116.4812 52.8388 43.4858 176.5918 125 R 4.3474 8.5606 122.3321 56.5478 30.7891 175.9952 126 V 4.1249 8.3515 124.3742 60.8229 32.3992 175.6076 127 E 4.1469 9.0175 127.4483 57.0864 30.4480 176.8624 128 G 4.2761 8.2704 109.5083 44.4967 0.0000 172.7224 129 F 4.5957 7.9216 112.9696 56.7962 40.3886 176.0823 130 G 3.8789 8.2393 107.5390 46.7688 0.0000 173.8300 131 L 4.5697 7.4987 117.7183 51.6027 44.7789 175.9424 132 P 4.7224 0.0000 0.0000 63.7327 31.6911 175.3684 133 F 4.8220 7.0926 112.3167 55.4238 40.3142 172.6581 134 N 4.5635 9.3612 117.8722 53.3820 39.4033 175.6724 135 L 4.2898 8.8936 128.4129 55.8340 38.6733 178.2137 *137 L 4.2235 7.5525 115.8474 54.8714 43.9327 176.5104 138 Y 4.8181 8.1282 120.9141 55.9106 39.9847 174.6603 139 D 4.6244 8.3713 125.0562 52.9046 39.9865 176.5117 140 G 3.6896 6.2430 108.5730 45.6210 0.0000 174.7632 141 V 3.6391 7.1214 119.3268 61.8166 32.0984 175.2561 142 E 3.7072 8.4160 126.5464 56.6485 29.7012 176.5582 143 V 3.8413 8.0629 125.1999 62.1460 32.0498 175.8394 144 F 4.6703 8.8085 126.6174 57.1616 39.7460 176.2487 145 D 4.9477 8.7613 121.0427 56.0367 41.5809 177.1666 146 S 4.3264 7.7354 113.1219 55.8400 67.1353 175.4029 147 F 3.2778 7.4701 123.9422 61.2103 39.0428 176.8777 148 E 4.0746 8.1648 117.8392 59.6405 29.2237 179.4739 149 S 4.1024 8.0370 113.9362 61.2744 63.0856 176.3515 150 A 2.5800 7.4596 123.8734 54.3869 18.0745 179.3757 151 F 4.1964 8.0981 119.5058 61.2805 39.4475 177.4983 152 K 3.7795 8.1106 118.3000 59.4036 31.8943 178.6151 153 Y 3.9305 7.5888 119.6342 60.5106 38.6182 177.7172 154 F 4.1568 8.2875 121.5612 61.5899 39.2605 177.2020 155 L 3.7474 7.6249 116.7497 57.4735 41.4010 178.9580 156 A 4.0715 7.5707 119.3814 53.5667 18.5726 177.5962 157 N 4.6668 7.3600 111.2936 52.8527 40.5059 174.8592 158 F 4.2567 7.7339 120.2744 55.2096 39.0788 172.1038 159 P 4.4870 0.0000 0.0000 61.5853 32.6280 177.6379 160 S 4.3746 8.4340 113.8760 59.0210 62.7928 174.4736 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 3 H 8.44 4.57 0.00 3.16 3.26 0.00 5.84 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 4 H 8.73 3.92 0.00 3.34 3.31 0.00 5.95 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.05 4.45 0.00 3.13 3.29 0.00 5.91 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.78 4.19 0.00 3.15 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.28 4.79 0.00 3.07 3.13 0.00 5.97 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.25 4.47 0.00 3.16 3.24 0.00 6.01 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *10 R 8.26 4.49 0.00 2.02 2.13 0.00 3.43 0.00 0.00 3.60 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 11 K 9.15 4.69 0.00 1.65 1.63 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.36 7.81 12 I 8.07 4.89 1.69 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.24 0.86 0.00 0.00 13 Y 8.98 4.57 0.00 3.07 2.87 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 14 I 7.81 4.86 1.76 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 0.89 1.14 0.00 0.00 15 A 9.11 4.24 1.42 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 0.00 0.00 16 G 8.24 4.78 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 0.00 0.00 0.00 17 P 0.00 4.20 0.00 1.80 1.54 0.00 3.46 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 18 A 7.15 3.62 0.52 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 0.00 0.00 19 V 7.34 3.44 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 -0.41 0.00 0.00 0.73 0.00 0.00 20 F 7.42 4.82 0.00 3.20 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 21 N 7.82 4.55 0.00 2.82 2.80 0.00 0.00 6.92 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.37 0.00 2.04 2.15 0.00 3.68 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 2.05 2.12 0.00 23 D 8.04 4.36 0.00 2.82 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 *25 G 7.82 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.11 4.06 1.42 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 0.00 0.00 27 S 8.59 4.05 0.00 4.03 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 28 Y 7.71 3.86 0.00 2.83 2.67 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 0.00 0.00 0.00 0.00 29 Y 7.98 4.16 0.00 2.95 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 30 N 8.61 4.30 0.00 2.84 2.81 0.00 0.00 7.01 6.99 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 31 K 7.74 3.84 0.00 1.70 1.62 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.50 7.81 32 V 7.31 2.86 1.74 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 0.65 0.00 0.00 -0.68 0.00 0.00 33 R 8.22 3.76 0.00 1.91 1.89 0.00 3.13 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 34 E 8.06 3.85 0.00 2.06 1.99 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 2.27 2.28 0.00 35 L 7.42 3.86 0.00 1.72 1.61 0.99 1.16 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 L 7.84 3.98 0.00 1.70 1.81 0.09 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.16 3.86 0.00 1.98 1.96 0.00 1.51 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.54 7.81 38 K 7.61 4.15 0.00 2.08 1.92 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.67 7.81 39 E 7.85 4.59 0.00 2.25 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 2.44 2.39 0.00 40 N 7.87 4.23 0.00 2.88 2.92 0.00 0.00 6.88 7.72 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 41 V 7.75 5.00 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 0.86 0.00 0.00 1.25 0.00 0.00 *43 P 0.00 4.22 0.00 1.99 1.94 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 44 L 8.98 4.48 0.00 1.71 1.78 0.98 0.62 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 45 I 7.84 4.15 1.68 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.37 -0.26 0.00 0.00 46 P 0.00 4.69 0.00 1.95 2.21 0.00 3.30 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.76 0.00 47 T 7.31 4.27 4.20 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 1.22 0.00 0.00 48 D 7.92 4.28 0.00 2.74 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 49 N 8.80 4.12 0.00 2.78 2.84 0.00 0.00 7.01 7.66 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 50 E 8.18 3.84 0.00 2.14 1.86 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 2.29 2.30 0.00 51 A 8.41 4.39 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 52 T 8.25 4.34 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 53 E 7.86 4.50 0.00 2.17 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 54 A 8.63 4.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.89 3.92 0.00 1.70 1.73 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.99 4.35 0.00 2.85 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 57 I 7.81 3.68 2.01 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 1.41 0.79 0.91 0.00 0.00 58 R 8.18 3.83 0.00 1.79 2.05 0.00 2.93 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 59 Q 8.22 3.96 0.00 2.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 60 K 8.00 3.99 0.00 1.92 1.87 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.62 7.81 61 N 8.28 4.57 0.00 2.92 2.94 0.00 0.00 7.00 7.07 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 62 I 7.98 3.71 2.03 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 1.56 0.83 0.91 0.00 0.00 63 Q 8.14 4.25 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.39 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 *65 I 7.78 3.86 1.78 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.15 0.78 0.00 0.00 66 K 8.05 3.93 0.00 1.89 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.57 7.81 67 D 8.07 4.57 0.00 2.68 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 68 C 7.35 4.51 0.00 3.20 2.98 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 69 D 8.74 4.73 0.00 2.35 1.54 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 70 A 7.71 4.79 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.50 4.79 2.19 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 1.29 0.00 0.00 1.05 0.00 0.00 72 I 8.62 5.03 1.90 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 1.08 0.80 0.93 0.00 0.00 73 A 9.22 5.16 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 74 D 8.93 3.45 0.00 2.50 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.02 4.57 0.00 1.44 1.20 0.17 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.22 4.52 0.00 3.78 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.35 0.00 2.22 2.15 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 78 F 8.71 4.71 0.00 2.89 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 79 R 8.95 3.47 0.00 1.54 1.68 0.00 2.68 0.00 0.00 2.89 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.50 0.00 80 G 7.71 3.62 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 81 H 8.40 4.46 0.00 2.89 3.20 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 7.94 4.58 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 83 P 0.00 5.08 0.00 1.98 1.89 0.00 3.82 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.21 0.00 84 D 8.42 4.58 0.00 2.23 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 C 8.90 4.38 0.00 3.25 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.30 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.61 4.20 4.34 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 1.22 0.00 0.00 88 A 8.14 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.53 4.01 0.00 3.18 3.27 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 90 E 8.38 4.02 0.00 2.44 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 2.53 2.71 0.00 91 V 8.17 3.74 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 1.07 0.00 0.00 0.95 0.00 0.00 92 G 8.12 3.44 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 0.00 93 C 7.90 3.80 0.00 2.67 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 94 A 8.03 3.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.24 3.91 1.34 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 0.00 0.00 96 A 7.81 4.00 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 97 L 7.39 4.33 0.00 1.73 1.69 0.86 1.10 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 98 N 7.79 4.39 0.00 2.90 2.91 0.00 0.00 6.94 7.67 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 99 K 7.83 4.53 0.00 1.69 1.06 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.53 7.81 *101 V 8.73 4.11 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 0.82 0.00 0.00 1.03 0.00 0.00 102 L 9.17 5.15 0.00 1.65 1.62 1.17 0.38 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 0.00 103 T 8.89 5.46 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 1.25 0.00 0.00 104 F 9.02 5.81 0.00 3.37 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 0.00 105 T 8.81 5.09 4.60 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 1.45 0.00 0.00 106 S 8.91 4.40 0.00 4.14 4.11 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 0.00 107 D 8.29 4.55 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.47 4.33 0.00 1.82 1.91 0.00 3.52 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 109 R 7.79 4.15 0.00 1.86 1.92 0.00 3.11 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 110 N 8.59 5.17 0.00 2.70 2.29 0.00 0.00 6.87 8.12 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 *112 R 8.52 4.60 0.00 1.89 2.02 0.00 3.36 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 113 E 8.16 4.02 0.00 2.09 1.99 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 2.30 2.31 0.00 114 K 8.14 3.91 0.00 1.58 1.20 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.28 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.37 1.55 7.81 115 Y 7.99 4.01 0.00 2.96 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 0.00 116 G 8.79 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 0.00 0.00 0.00 117 S 7.36 4.47 0.00 3.83 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 0.00 118 G 8.30 3.96 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 0.00 0.00 0.00 119 V 7.33 4.78 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 0.78 0.00 0.00 0.92 0.00 0.00 120 D 8.53 4.82 0.00 2.94 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.69 4.09 0.00 1.91 2.04 0.00 1.57 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.49 7.81 122 D 8.23 4.69 0.00 2.77 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 0.00 123 N 7.99 4.28 0.00 2.85 2.91 0.00 0.00 7.06 7.93 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 0.00 124 L 8.24 4.55 0.00 1.84 1.51 0.91 0.91 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 0.00 125 R 8.56 4.35 0.00 1.67 1.85 0.00 3.18 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 126 V 8.35 4.12 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 0.74 0.00 0.00 0.47 0.00 0.00 127 E 9.02 4.15 0.00 2.20 2.21 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 2.56 2.40 0.00 128 G 8.27 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 0.00 0.00 0.00 0.00 129 F 7.92 4.60 0.00 2.97 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 0.00 130 G 8.24 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 0.00 131 L 7.50 4.57 0.00 1.58 1.25 0.77 -0.03 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 0.00 132 P 0.00 4.72 0.00 1.78 2.07 0.00 2.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.35 0.00 133 F 7.09 4.82 0.00 3.10 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 0.00 134 N 9.36 4.56 0.00 2.80 2.91 0.00 0.00 7.37 7.78 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 0.00 135 L 8.89 4.29 0.00 1.77 1.66 0.76 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *137 L 7.55 4.22 0.00 1.76 1.48 0.61 0.76 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 0.00 138 Y 8.13 4.82 0.00 3.06 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 0.00 139 D 8.37 4.62 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 6.24 3.69 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 0.00 0.00 0.00 141 V 7.12 3.64 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 0.40 0.00 0.00 0.92 0.00 0.00 142 E 8.42 3.71 0.00 1.75 1.16 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 1.69 2.11 0.00 143 V 8.06 3.84 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 1.02 0.00 0.00 1.06 0.00 0.00 144 F 8.81 4.67 0.00 3.40 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 0.00 145 D 8.76 4.95 0.00 2.78 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 0.00 146 S 7.74 4.33 0.00 4.04 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 0.00 147 F 7.47 3.28 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.16 4.07 0.00 2.10 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 2.44 2.52 0.00 149 S 8.04 4.10 0.00 4.21 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 0.00 150 A 7.46 2.58 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 0.00 151 F 8.10 4.20 0.00 2.63 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 0.00 152 K 8.11 3.78 0.00 1.96 1.80 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.67 7.81 153 Y 7.59 3.93 0.00 2.92 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 0.00 154 F 8.29 4.16 0.00 3.25 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 0.00 155 L 7.62 3.75 0.00 1.55 1.52 0.45 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 156 A 7.57 4.07 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 0.00 157 N 7.36 4.67 0.00 2.36 2.58 0.00 0.00 6.67 7.29 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 0.00 158 F 7.73 4.26 0.00 2.38 1.58 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 0.00 159 P 0.00 4.49 0.00 2.14 1.94 0.00 3.48 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 160 S 8.43 4.37 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.