NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8323 8.1676 115.8814 57.0880 40.3691 177.3111 11 H 3.9698 5.2900 118.2949 54.2983 28.6858 170.6285 12 E 4.4838 9.4987 123.6267 57.6585 30.0392 176.9849 13 M 4.5275 7.1315 114.2241 55.0465 32.2823 176.5429 14 R 4.5740 7.6574 117.0290 55.7104 33.0535 175.7564 15 E 4.0084 8.0316 117.0848 55.2382 30.0671 174.6640 16 P 4.5863 0.0000 0.0000 62.6857 32.5449 174.8180 17 R 4.0596 7.3559 112.7675 55.7666 32.9695 173.5690 18 I 4.5684 8.4509 121.3203 60.1377 38.5222 174.8839 19 E 4.4937 9.0678 129.0926 54.4513 31.4149 171.8577 20 K 4.4032 8.7653 132.4415 55.3977 34.1980 174.4653 21 V 4.9547 7.8150 119.9470 60.2095 34.5938 173.9344 22 V 4.5378 8.1981 128.6767 61.8686 33.1722 174.6804 23 V 4.7078 8.5206 121.9151 59.8720 33.8466 174.3520 24 H 5.2113 9.0607 124.7929 54.6759 34.1712 171.7763 25 M 4.4491 8.4002 123.6524 53.3655 33.9909 176.1133 26 G 4.0722 8.1523 114.2720 45.2331 0.0000 172.6235 27 I 4.0882 7.4735 124.0967 60.6743 39.4365 176.4779 28 G 4.0812 7.9843 110.8295 45.2634 0.0000 172.8852 29 H 4.7527 7.9699 120.6901 55.6317 29.6114 173.4003 *35 A 4.1664 7.0063 123.4932 51.7338 19.2547 176.3895 36 N 4.3176 8.7278 113.8451 56.6453 36.6736 176.5531 37 A 3.9783 8.1883 122.4537 55.0507 18.2830 179.0291 38 E 3.8033 8.6805 117.5537 59.8892 29.4798 179.2070 39 D 4.4326 7.7389 118.3062 57.7032 40.9415 179.4535 40 I 3.7485 7.7350 113.1124 64.0434 37.5450 178.1876 41 L 4.0751 7.9604 120.4887 57.4338 41.4895 179.4938 42 G 3.6601 8.2924 105.7796 47.0813 0.0000 175.6645 43 E 4.0014 7.7976 119.6481 59.1767 29.8134 178.9205 44 I 3.9188 8.3854 117.5262 63.2054 37.9728 176.1806 45 T 4.5999 8.1042 107.5290 64.2800 70.3524 174.2091 46 G 3.6518 6.8835 109.0555 44.1947 0.0000 172.9873 47 Q 4.5659 7.9147 116.7954 54.2851 31.7678 173.9311 48 M 4.0852 8.4767 118.4331 55.5794 32.2818 175.0802 49 P 4.7670 0.0000 0.0000 62.0207 33.4137 175.3656 50 V 4.4480 8.3853 119.6904 60.9062 34.3843 175.2926 51 R 4.3306 8.8274 126.1280 57.4618 31.1749 176.7750 52 T 4.5373 8.6432 117.1262 61.2620 69.8883 173.9599 53 K 5.1888 8.7364 124.3714 55.8453 33.3466 175.2183 54 A 4.8851 8.4416 122.3616 50.2392 22.1832 175.5159 55 K 4.5752 8.3605 117.2907 55.6637 35.1824 176.2948 56 R 4.1075 8.6701 121.5456 56.2066 29.4260 175.7554 57 T 4.8140 8.2196 115.6685 62.0281 69.4780 174.4482 58 V 4.5601 8.7523 125.0846 60.6020 35.0849 176.0501 59 G 3.9015 8.8940 112.6693 48.7095 0.0000 175.0606 60 E 4.2227 7.7866 116.6766 58.9591 27.8419 176.8536 61 F 4.3625 7.6195 112.6453 60.1632 38.9919 175.0886 62 D 4.9178 7.8556 119.1552 51.9260 40.1750 175.7713 63 I 4.1603 7.6762 114.8163 61.7408 39.3336 177.7489 64 R 3.8059 7.9519 120.7266 56.7321 29.4723 174.7618 65 E 4.0290 8.2372 128.2724 58.4619 29.4316 176.6541 66 G 3.9953 7.9147 117.6257 46.1740 0.0000 171.6953 67 D 4.7060 8.2899 124.7904 50.9805 42.7126 173.1994 68 P 4.5649 0.0000 0.0000 62.6006 31.8764 177.1382 69 I 4.5226 8.4706 128.1133 59.8803 37.7056 173.6237 70 G 3.9269 7.6818 107.0385 43.6514 0.0000 171.9592 71 A 5.7312 8.3945 119.3497 50.7269 23.4165 174.9744 72 K 5.0521 8.2466 116.3942 56.1419 36.4807 175.3265 73 V 4.6339 8.7916 121.0346 61.6286 34.8644 173.7456 74 T 4.5624 8.5677 118.9109 60.5168 70.0344 173.8642 75 L 4.7162 8.4877 127.1479 52.8464 43.9324 175.9859 76 R 4.7775 8.2353 121.6240 54.7195 33.6260 176.8896 77 D 4.3656 8.8796 120.0740 55.6297 38.9318 176.4678 78 E 3.9572 8.9653 122.8519 60.9882 28.9329 178.3140 79 M 3.9324 8.2782 117.8799 58.7237 31.8512 178.7333 80 A 3.9187 7.8166 119.9409 55.3799 18.8141 179.0432 81 E 3.9695 8.1597 117.1279 59.4874 29.3817 179.2153 82 E 4.1521 8.4109 119.1714 59.4496 29.8896 179.4709 83 F 4.2927 7.7280 120.2319 61.1557 39.7530 177.5888 84 L 4.1876 8.4163 118.5937 57.4583 41.1100 178.8062 85 Q 4.2946 8.2737 115.7830 56.8551 28.4026 176.5018 86 T 4.4031 7.4903 107.7581 62.3759 71.9766 175.2739 87 A 3.9568 7.6985 125.2879 54.8293 18.9723 179.0780 88 L 3.5818 8.1802 114.6654 57.5323 41.9100 178.0915 89 P 4.0079 0.0000 0.0000 65.8829 31.2256 177.2462 90 L 4.2731 8.1826 114.8466 55.0125 41.4628 176.0881 91 A 4.9351 8.3748 121.9538 50.4580 22.0336 175.4350 92 E 4.4315 8.4618 115.7747 58.3661 31.7896 176.8326 93 L 3.8389 7.2430 116.1586 53.7190 42.9103 175.8513 94 A 4.4917 8.6016 122.1711 52.5649 21.3109 174.3068 95 T 3.1682 8.7155 112.7221 62.5129 69.7485 173.4015 96 S 3.9458 8.8053 121.5838 60.2485 62.8688 173.3242 97 Q 4.3911 8.1671 117.1341 56.1942 28.6769 175.0256 98 F 4.7946 7.7904 114.8473 56.0269 40.7122 175.1566 99 D 4.6987 10.1811 123.3122 54.3236 41.7078 175.8724 100 D 4.7003 8.5366 119.6111 55.3168 41.2666 177.5624 101 T 4.5579 7.4247 114.3478 62.2552 68.9038 174.7110 102 G 3.9669 8.3193 108.9486 46.5201 0.0000 173.0812 103 N 5.3093 7.8427 115.6538 51.2928 41.8161 173.2803 104 F 4.7789 7.6380 110.2556 56.2228 41.3067 173.0165 105 S 4.8445 8.6507 114.9779 56.5387 65.2783 172.6486 106 F 4.9319 8.8106 121.0166 55.2329 41.5927 173.1331 107 G 4.1637 8.7410 101.9593 44.4065 0.0000 172.2825 *128 L 4.0623 8.3751 120.8106 55.0843 43.7877 176.6065 129 D 5.0735 8.7760 125.1578 52.4671 44.3568 175.4010 130 V 4.5876 8.0824 121.2128 61.4492 34.6951 174.2288 131 T 4.7212 8.7758 124.5426 61.5102 72.3250 173.2751 132 V 4.3052 7.9962 124.5875 61.0843 34.4421 173.7101 133 N 4.6941 8.8001 127.8732 52.4321 39.9933 173.5615 134 L 5.2651 8.1229 126.1427 53.2884 44.7499 175.8583 135 V 4.2149 7.8387 120.0601 61.3915 35.4219 171.2526 136 R 4.4178 8.3729 116.7280 55.0227 31.3724 177.5783 137 P 3.8792 0.0000 0.0000 64.7151 32.0520 179.1719 138 G 3.9940 7.7805 103.4487 45.3452 0.0000 175.1139 139 Y 3.9562 8.1452 123.5869 60.0334 39.0598 175.7100 140 R 3.9657 8.2545 119.4180 59.5089 29.8511 178.1703 141 V 3.5039 7.4103 117.4113 65.2248 31.1784 176.7408 142 A 4.8631 7.6657 119.1446 50.9830 19.3408 177.0986 143 K 4.3087 7.3458 115.2576 55.8340 34.3083 176.4198 144 R 4.2102 7.8471 115.6974 55.7949 30.1117 175.7854 145 D 4.5281 8.0656 116.9756 56.4867 41.7828 177.4824 146 K 4.0126 7.7780 118.1463 57.4096 32.8298 176.8671 147 A 4.1221 8.6691 122.4075 52.4815 16.3223 177.2381 148 S 4.5399 7.3287 113.1406 60.8516 63.9245 173.5157 149 R 4.6282 8.7846 119.9098 55.1716 33.6587 174.1931 150 S 4.5700 8.5295 119.0873 57.8877 63.5522 173.6007 151 I 4.0237 8.1606 125.9424 60.1402 37.8502 174.5130 152 P 4.4083 0.0000 0.0000 62.4794 32.1372 177.2048 153 T 3.9178 8.8597 113.3787 65.4028 67.9663 176.5128 154 K 4.0192 7.9907 119.5423 59.3013 32.2616 177.7118 155 H 4.6361 7.9901 115.1311 55.7342 29.9994 175.1148 156 R 4.2900 7.4423 118.9989 56.0861 30.6679 175.0984 157 L 4.5655 8.1549 120.3587 53.7253 43.5437 175.6747 158 N 4.7268 8.3711 122.9692 51.5169 41.3878 174.5771 159 P 4.3348 0.0000 0.0000 66.0817 31.4156 178.4373 160 A 3.8691 8.0198 119.0016 55.3243 17.8150 178.9721 161 D 4.4175 8.2077 115.9348 57.0441 41.0523 179.3356 162 A 4.1099 7.6742 121.6399 55.0283 18.6147 179.3326 163 V 3.1947 7.5719 116.4126 66.2899 31.3346 177.6974 164 A 3.9295 7.8562 119.9499 55.3859 17.9667 178.8988 165 F 4.1305 7.7429 116.7255 61.8869 39.5124 177.3460 166 I 3.5159 7.6296 117.4186 64.2386 37.2769 177.4489 167 E 4.6647 8.3149 121.7812 58.7573 29.2649 179.5620 168 S 4.6486 8.0040 111.9134 57.4733 64.2518 175.1102 169 T 4.7337 8.3614 113.3927 63.0394 71.0732 173.2644 170 Y 3.3456 7.8286 119.9043 57.6825 35.2813 168.5229 171 D 4.3901 6.7132 117.0770 53.9071 43.4142 175.4928 172 V 4.7047 7.9491 117.1055 61.0099 35.4902 178.1014 173 E 4.2941 9.0565 121.1603 57.4920 28.5250 177.3368 174 V 4.0315 7.3977 116.2237 64.2606 32.0073 175.2902 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 10 F 8.17 4.83 0.00 3.36 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 11 H 5.29 3.97 0.00 3.06 2.23 0.00 5.63 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 12 E 9.50 4.48 0.00 1.67 1.81 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 2.07 2.17 0.00 13 M 7.13 4.53 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 14 R 7.66 4.57 0.00 1.76 1.96 0.00 3.44 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 15 E 8.03 4.01 0.00 2.17 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 2.32 2.30 0.00 16 P 0.00 4.59 0.00 1.02 1.62 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 17 R 7.36 4.06 0.00 1.79 1.80 0.00 2.73 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.43 0.00 18 I 8.45 4.57 1.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.96 0.97 0.00 0.00 19 E 9.07 4.49 0.00 1.77 1.68 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 2.18 2.21 0.00 20 K 8.77 4.40 0.00 2.09 1.96 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.31 7.81 21 V 7.82 4.95 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 0.95 0.00 0.00 0.97 0.00 0.00 22 V 8.20 4.54 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 0.92 0.00 0.00 0.85 0.00 0.00 23 V 8.52 4.71 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 -0.01 0.00 0.00 0.72 0.00 0.00 24 H 9.06 5.21 0.00 3.20 2.96 0.00 5.54 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.40 4.45 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 26 G 8.15 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 27 I 7.47 4.09 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.72 0.00 0.00 28 G 7.98 4.08 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 0.00 0.00 0.00 29 H 7.97 4.75 0.00 3.19 3.37 0.00 5.76 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 *35 A 7.01 4.17 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 36 N 8.73 4.32 0.00 2.92 3.14 0.00 0.00 5.84 7.46 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 37 A 8.19 3.98 1.32 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 0.00 0.00 38 E 8.68 3.80 0.00 1.95 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 2.32 2.51 0.00 39 D 7.74 4.43 0.00 2.69 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 40 I 7.74 3.75 1.88 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 1.83 0.82 0.91 0.00 0.00 41 L 7.96 4.08 0.00 1.87 1.72 0.92 0.85 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 42 G 8.29 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 43 E 7.80 4.00 0.00 2.06 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 2.35 2.54 0.00 44 I 8.39 3.92 2.02 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.88 1.07 0.00 0.00 45 T 8.10 4.60 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 0.96 0.00 0.00 46 G 6.88 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 7.91 4.57 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 48 M 8.48 4.09 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 49 P 0.00 4.77 0.00 1.91 1.96 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 50 V 8.39 4.45 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 0.88 0.00 0.00 0.91 0.00 0.00 51 R 8.83 4.33 0.00 1.72 1.86 0.00 3.35 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 52 T 8.64 4.54 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 1.21 0.00 0.00 53 K 8.74 5.19 0.00 1.63 1.74 0.00 1.72 0.00 0.00 2.35 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.28 7.81 54 A 8.44 4.89 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 55 K 8.36 4.58 0.00 1.61 1.70 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.42 7.81 56 R 8.67 4.11 0.00 1.98 1.99 0.00 3.18 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 57 T 8.22 4.81 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 1.24 0.00 0.00 58 V 8.75 4.56 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 1.02 0.00 0.00 0.94 0.00 0.00 59 G 8.89 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 60 E 7.79 4.22 0.00 2.21 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 2.32 2.29 0.00 61 F 7.62 4.36 0.00 3.02 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.86 4.92 0.00 2.95 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 63 I 7.68 4.16 1.93 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 1.42 0.82 1.06 0.00 0.00 64 R 7.95 3.81 0.00 1.76 2.14 0.00 3.19 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 65 E 8.24 4.03 0.00 2.02 1.84 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 2.28 2.31 0.00 66 G 7.91 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 0.00 0.00 0.00 67 D 8.29 4.71 0.00 2.73 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 68 P 0.00 4.56 0.00 1.94 2.04 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 69 I 8.47 4.52 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.58 0.92 0.00 0.00 70 G 7.68 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 71 A 8.39 5.73 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 72 K 8.25 5.05 0.00 1.75 1.87 0.00 1.41 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.39 7.81 73 V 8.79 4.63 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 0.98 0.00 0.00 0.86 0.00 0.00 74 T 8.57 4.56 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 1.16 0.00 0.00 75 L 8.49 4.72 0.00 1.49 1.54 0.49 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.24 4.78 0.00 1.64 1.79 0.00 3.32 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 77 D 8.88 4.37 0.00 2.89 2.40 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 78 E 8.97 3.96 0.00 2.02 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 2.41 2.42 0.00 79 M 8.28 3.93 0.00 2.02 2.35 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 2.70 2.60 0.00 80 A 7.82 3.92 1.38 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 0.00 0.00 0.00 81 E 8.16 3.97 0.00 2.18 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 2.38 2.58 0.00 82 E 8.41 4.15 0.00 2.02 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 2.36 2.51 0.00 83 F 7.73 4.29 0.00 3.19 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 84 L 8.42 4.19 0.00 1.94 1.80 1.10 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.27 4.29 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.43 0.00 86 T 7.49 4.40 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 1.13 0.00 0.00 87 A 7.70 3.96 1.11 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 0.00 0.00 88 L 8.18 3.58 0.00 1.72 1.67 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.01 0.00 2.15 2.13 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 90 L 8.18 4.27 0.00 1.81 1.75 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.37 4.94 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 92 E 8.46 4.43 0.00 1.93 1.94 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 2.20 2.30 0.00 93 L 7.24 3.84 0.00 1.74 1.89 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.60 4.49 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 95 T 8.72 3.17 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 1.09 0.00 0.00 96 S 8.81 3.95 0.00 4.24 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.17 4.39 0.00 2.15 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 98 F 7.79 4.79 0.00 3.04 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 99 D 10.18 4.70 0.00 2.77 2.84 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 0.00 100 D 8.54 4.70 0.00 2.73 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 0.00 101 T 7.42 4.56 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 1.25 0.00 0.00 102 G 8.32 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 7.84 5.31 0.00 2.80 2.71 0.00 0.00 6.57 8.13 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 0.00 104 F 7.64 4.78 0.00 2.60 1.73 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 0.00 105 S 8.65 4.84 0.00 3.70 3.65 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 0.00 0.00 0.00 0.00 106 F 8.81 4.93 0.00 3.18 3.19 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 0.00 107 G 8.74 4.16 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 0.00 0.00 0.00 *128 L 8.38 4.06 0.00 1.75 1.58 0.94 1.11 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 0.00 129 D 8.78 5.07 0.00 2.72 2.41 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 0.00 130 V 8.08 4.59 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.89 0.00 0.00 131 T 8.78 4.72 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 1.08 0.00 0.00 132 V 8.00 4.31 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 1.11 0.00 0.00 0.76 0.00 0.00 133 N 8.80 4.69 0.00 2.80 2.94 0.00 0.00 6.59 6.80 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 0.00 134 L 8.12 5.27 0.00 1.72 1.49 1.29 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.84 4.21 1.55 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 0.15 0.00 0.00 0.73 0.00 0.00 136 R 8.37 4.42 0.00 1.79 2.12 0.00 3.07 0.00 0.00 2.99 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 137 P 0.00 3.88 0.00 2.29 2.19 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 138 G 7.78 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 0.00 139 Y 8.15 3.96 0.00 3.18 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 0.00 140 R 8.25 3.97 0.00 1.94 1.95 0.00 3.25 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 141 V 7.41 3.50 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 1.04 0.00 0.00 0.95 0.00 0.00 142 A 7.67 4.86 1.01 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 0.00 0.00 0.00 0.00 0.00 143 K 7.35 4.31 0.00 1.62 1.77 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.81 1.33 7.81 144 R 7.85 4.21 0.00 1.88 1.94 0.00 3.23 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.56 0.00 145 D 8.07 4.53 0.00 2.67 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 0.00 146 K 7.78 4.01 0.00 1.80 1.71 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.42 7.81 147 A 8.67 4.12 1.29 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 0.00 148 S 7.33 4.54 0.00 3.90 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 0.00 149 R 8.78 4.63 0.00 1.82 1.72 0.00 3.07 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 150 S 8.53 4.57 0.00 3.91 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 0.00 151 I 8.16 4.02 1.97 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 1.40 1.11 1.04 0.00 0.00 152 P 0.00 4.41 0.00 2.21 1.99 0.00 3.67 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 2.12 2.08 0.00 153 T 8.86 3.92 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 154 K 7.99 4.02 0.00 1.77 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.58 7.81 155 H 7.99 4.64 0.00 3.15 3.45 0.00 5.94 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.44 4.29 0.00 2.12 1.89 0.00 3.41 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.75 0.00 157 L 8.15 4.57 0.00 1.66 1.75 0.89 0.53 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 0.00 158 N 8.37 4.73 0.00 3.03 2.73 0.00 0.00 7.15 8.03 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 0.00 159 P 0.00 4.33 0.00 2.15 2.16 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.42 0.00 160 A 8.02 3.87 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 0.00 161 D 8.21 4.42 0.00 2.71 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 0.00 162 A 7.67 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.57 3.19 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 0.85 0.00 0.00 0.30 0.00 0.00 164 A 7.86 3.93 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 0.00 165 F 7.74 4.13 0.00 3.04 3.36 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 0.00 166 I 7.63 3.52 1.85 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.07 0.88 0.00 0.00 167 E 8.31 4.66 0.00 2.02 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 2.26 2.15 0.00 168 S 8.00 4.65 0.00 3.87 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 0.00 169 T 8.36 4.73 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 1.17 0.00 0.00 170 Y 7.83 3.35 0.00 2.99 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 0.00 171 D 6.71 4.39 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.95 4.70 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 0.84 0.00 0.00 0.89 0.00 0.00 173 E 9.06 4.29 0.00 2.00 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 0.00 2.38 2.20 0.00 174 V 7.40 4.03 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 1.07 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.