NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5278 8.1627 120.3614 55.9802 34.4112 177.2993 2 M 3.9525 8.1160 117.5528 57.9527 32.2709 176.1458 3 D 4.3436 8.3875 117.9523 57.4612 41.8054 177.0678 4 Y 4.1315 7.9329 119.5842 60.7664 38.8546 177.7485 5 L 3.7476 8.3696 120.2853 57.5523 41.6317 179.6320 6 I 3.9567 8.0530 120.2445 64.7544 36.9490 178.6800 7 T 4.0499 8.1149 108.6475 63.8693 68.9650 175.2500 8 Q 4.3074 7.8816 119.3308 54.6354 29.2404 175.4317 9 N 4.0964 7.4091 112.5661 54.2966 36.7276 174.9090 10 G 4.0189 8.8645 100.4397 45.1666 0.0000 174.7617 11 G 3.8955 7.7729 109.6361 47.3890 0.0000 175.5807 12 M 4.0128 8.2041 120.1805 59.1232 32.0236 178.5068 13 V 3.5193 7.5619 111.7140 64.3366 31.6049 178.4811 14 F 4.4711 7.9216 116.7850 60.1411 38.7977 177.7706 15 A 4.1269 8.1088 120.3072 54.8550 18.2161 179.7214 16 V 3.4978 8.0073 117.0706 66.0983 31.6586 177.9482 17 L 3.9946 8.0461 119.9203 58.0636 41.8472 178.8084 18 A 4.1741 8.0947 122.0039 54.9595 18.4001 179.4884 19 M 3.9980 8.0792 116.9437 58.3852 32.0338 178.7109 20 A 3.9925 8.1618 121.1097 55.4061 18.2498 179.6161 21 T 3.9953 8.4750 108.2791 65.1310 68.5356 176.1606 22 A 4.0938 8.1864 124.0840 54.9946 18.4381 179.8022 23 T 3.8566 7.9768 113.9754 66.9022 68.5183 177.0000 24 I 3.5088 8.0460 121.9189 64.6055 37.2111 178.6975 25 F 4.1208 7.8014 118.1917 60.2738 38.7173 178.1571 26 S 4.3027 7.8687 113.9960 61.3777 62.8262 176.7868 27 G 3.6028 8.1950 109.4345 47.4593 0.0000 175.7328 28 I 3.7662 8.1199 122.6461 63.9815 37.1442 178.4824 29 G 3.7477 7.9202 106.3747 48.1884 0.0000 175.8625 30 S 4.5695 8.3924 119.0508 60.5865 62.7915 176.5159 31 A 3.9460 8.3209 123.8873 55.2278 18.0460 179.9293 32 K 4.0208 8.4364 117.2941 59.4220 32.1353 179.9970 33 G 3.5427 8.1094 106.0218 47.8662 0.0000 175.9774 34 V 3.9579 7.9770 123.1557 64.8698 31.4582 178.2001 35 G 3.5852 8.3642 105.7491 48.1252 0.0000 175.1823 36 M 4.1800 8.4223 121.8981 58.5997 32.1948 178.5462 37 T 4.0562 8.1114 115.9468 66.3765 68.4921 176.9701 38 G 3.6873 8.4628 108.1917 47.8400 0.0000 175.5793 39 E 3.9653 8.4329 120.6706 59.1768 29.5063 179.3509 40 A 3.9873 7.9136 120.1634 55.0553 18.4506 179.5483 41 A 3.9513 8.4830 119.5659 55.2337 18.3268 179.7462 42 A 3.9841 8.4150 119.4115 55.2478 18.2340 179.7227 43 A 3.9556 7.8027 118.3790 55.1852 18.7301 179.3001 44 L 4.0660 8.0371 118.9095 58.6600 40.6327 179.3787 45 T 4.2089 8.0587 115.6917 66.3547 68.0940 176.6562 46 T 4.1386 7.6606 111.5844 63.7590 68.7368 175.6580 47 S 4.6881 7.5312 114.4282 58.0444 66.4000 174.2978 48 Q 4.8545 8.6212 120.1311 52.3971 28.6760 174.2693 49 P 4.4799 0.0000 0.0000 64.7063 32.4709 178.9487 50 E 4.1539 8.2184 116.9319 58.1859 29.9567 177.8235 51 K 4.5375 8.0443 119.4494 56.4794 32.6199 177.8695 52 F 4.3117 8.3144 124.0413 61.5264 39.2316 177.4141 53 G 3.4748 8.1404 104.5219 48.0811 0.0000 175.5139 54 Q 3.9784 7.9793 120.1638 58.3307 28.7635 178.5038 55 A 3.9418 7.9636 122.0007 54.9676 18.5064 179.4677 56 L 3.7052 7.9390 119.3107 58.0644 41.8278 179.2284 57 I 3.6225 7.1847 118.4007 64.4191 36.9291 178.0063 58 L 4.0972 7.7890 119.7382 57.8793 41.2652 179.3834 59 Q 3.9646 8.0055 119.4716 59.0530 29.0038 178.0192 60 L 4.2230 7.7193 118.6460 56.2353 41.5271 178.9723 61 L 3.9493 7.2592 118.4761 57.6470 41.7700 177.0226 62 P 5.3072 0.0000 0.0000 62.6322 31.1050 177.8779 63 G 3.8728 8.1454 106.6872 45.9301 0.0000 176.1417 64 T 3.7129 7.7013 111.5551 63.8223 69.1541 176.5438 65 Q 4.3372 8.2978 121.1237 59.3676 28.8128 179.3573 66 G 3.6965 8.4358 106.5402 47.7035 0.0000 175.7556 67 L 3.9979 7.1670 119.0124 57.7587 41.5674 178.9548 68 Y 4.2629 7.9758 117.1462 61.1314 37.7583 179.0561 69 G 4.2707 8.2964 107.8679 47.3615 0.0000 175.3631 70 F 4.1723 8.4498 123.3152 61.0567 39.3328 177.3574 71 V 3.7315 8.4206 117.9934 66.1447 31.4158 177.9979 72 I 3.8030 8.4179 119.4473 64.4720 37.0158 178.2498 73 A 4.0109 8.3317 121.7748 55.1990 18.1805 179.5125 74 F 3.9572 8.3427 119.3759 61.1341 39.1788 177.2071 75 L 3.9672 8.0258 119.5931 58.0257 42.1379 178.7531 76 I 3.5791 7.8186 119.9332 63.9613 36.8558 177.9173 77 F 3.9267 7.9076 122.2114 61.2008 39.1357 177.0075 78 I 3.4967 7.1812 111.0951 62.4310 37.4601 176.0637 79 N 4.7778 7.6071 118.0350 52.9180 38.5727 174.8380 80 L 4.5243 7.2055 117.2677 55.4086 41.1221 178.1681 81 G 3.8518 7.6720 109.1724 45.0282 0.0000 172.9373 82 S 4.6846 7.3293 115.7511 57.5022 65.6115 174.3002 83 D 4.8517 8.3540 112.8275 52.7109 39.2312 175.8867 84 M 4.0462 8.0248 119.2093 56.8118 33.2809 175.5411 85 S 4.4435 8.4846 120.7725 57.8760 65.6253 175.3946 86 V 3.7471 8.2780 121.9076 66.0829 31.2034 178.1864 87 V 3.4745 7.7906 117.5320 66.2374 31.3818 177.6076 88 Q 3.9102 7.9466 118.9669 58.9807 28.8777 178.4241 89 G 3.9183 8.3342 106.7354 48.1096 0.0000 175.7433 90 L 3.9642 8.4358 122.1883 57.2493 41.4875 179.3392 91 N 4.2397 8.3892 116.8875 56.3250 38.5148 177.4249 92 F 4.2867 8.1498 119.1302 60.3770 38.7704 177.4338 93 L 4.1941 8.0880 119.1439 58.2851 42.1018 179.0161 94 G 3.7413 8.5319 105.7767 47.7512 0.0000 175.5085 95 A 4.0958 8.2686 123.3570 54.7932 18.4662 179.6037 96 S 4.3144 8.0615 112.0088 60.7853 63.2831 176.7620 97 L 4.1696 7.7920 123.2644 57.3314 41.3959 177.2101 98 P 4.3550 0.0000 0.0000 65.9473 31.3193 178.4901 99 I 3.8324 7.9726 116.9433 63.7845 37.8472 177.4791 100 A 3.9471 7.9582 121.5080 55.3784 18.1879 179.3668 101 F 4.5237 8.3201 115.5255 59.8822 39.3875 178.6497 102 T 4.2527 8.3124 109.9541 64.5529 68.5282 176.9165 103 G 3.7340 8.4430 108.6642 47.5737 0.0000 175.1227 104 L 3.9792 8.0845 123.5928 58.0389 42.0926 179.2253 105 F 4.2373 8.4120 117.7204 60.4019 38.9602 178.1253 106 S 4.4165 8.6611 114.2621 61.1976 62.8812 176.7649 107 G 3.6731 8.2524 109.4628 47.6959 0.0000 175.7839 108 I 3.7133 7.5977 122.3156 64.0671 36.8582 178.2673 109 A 4.0543 8.1833 121.6247 55.4278 18.2054 179.5115 110 Q 4.0764 8.8112 118.5128 59.1575 29.0530 178.3558 111 G 3.7566 8.2270 106.8612 47.9764 0.0000 175.7248 112 K 4.0060 7.8934 120.8048 59.1203 32.0665 179.7276 113 V 3.5752 7.5470 117.9383 65.8864 31.4247 177.8655 114 A 4.0209 8.4999 120.7735 55.2595 18.0039 179.4569 115 A 3.9527 8.1759 118.1534 55.3032 18.6143 179.4656 116 A 4.1901 8.2537 119.4177 55.1425 18.3946 180.1068 117 G 3.6643 8.2552 104.3598 47.7790 0.0000 175.8924 118 I 3.7639 7.5320 121.9616 64.6617 37.0981 178.4207 119 Q 4.0151 8.0126 118.6754 58.7095 28.3896 178.8152 120 I 3.7375 7.7407 120.6279 64.3103 37.0462 177.8438 121 L 3.8728 7.7669 119.6481 58.1093 41.9062 178.6292 122 A 4.1364 8.0333 119.8847 54.9220 18.4539 179.0175 123 K 4.3333 7.9297 114.8652 57.1096 34.5375 177.5897 124 K 4.7110 8.5150 117.8526 53.5465 32.6528 174.9230 125 P 4.5000 0.0000 0.0000 65.6222 31.6984 179.1520 126 E 4.0808 8.1765 115.0712 58.2927 29.9116 176.8885 127 H 4.7827 8.5313 116.8909 55.5701 29.4156 175.9862 128 A 4.0476 7.8823 124.7932 55.7642 17.9712 180.6181 129 T 3.8191 7.9345 113.6612 66.7219 68.4574 176.6110 130 K 3.7729 8.1593 120.6455 59.2531 32.0762 179.5419 131 G 3.7486 7.9491 105.5434 47.7689 0.0000 175.8218 132 I 3.7155 7.6459 121.6484 64.1730 36.9774 178.3752 133 I 3.6231 7.4233 119.1589 64.3661 37.1139 177.9451 134 F 4.6361 7.7853 118.3107 60.9630 38.6947 177.7763 135 A 4.0803 8.1746 119.7070 55.1007 17.9859 179.4744 136 A 4.0816 8.2554 118.4012 55.0883 18.4484 179.3843 137 M 4.2212 7.6993 116.9711 57.7264 32.6006 177.4826 138 V 4.0856 7.6678 120.4069 63.2200 31.5450 177.8291 *140 T 4.0810 7.9839 117.2223 63.7080 70.5942 176.4699 141 Y 4.1417 7.1904 118.2594 60.4000 37.8234 177.9880 142 A 4.1236 8.0581 121.7926 54.9332 18.4933 179.4657 143 I 3.1831 7.5450 117.8239 64.4821 37.2792 178.3589 144 L 4.0699 8.0576 119.9209 57.7971 41.4007 179.9093 145 G 3.8418 8.0538 106.7435 47.1828 0.0000 175.3792 146 F 4.2088 8.5948 123.7111 61.0797 39.3132 177.4014 147 V 3.4040 8.0972 117.9963 65.9914 31.3326 178.0684 148 I 3.7062 7.7860 119.5240 64.4637 36.8762 178.4845 149 S 4.4774 8.1685 117.4121 60.9243 62.7980 176.4789 150 F 3.7535 8.4186 123.4148 61.3313 38.8527 177.1185 151 L 4.0728 8.1731 118.5381 57.9615 41.2038 179.6561 152 L 3.9686 7.8709 117.8716 57.4657 41.6649 179.4113 153 V 3.7987 7.9872 118.5995 66.0800 31.3164 178.2060 154 L 3.9612 7.5343 116.8986 56.6810 41.4263 177.9116 155 N 4.7094 7.1945 114.1785 53.0109 39.1863 174.2612 156 A 3.8208 7.2685 127.4789 52.7132 18.2812 177.6687 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 8.16 4.53 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 2 M 8.12 3.95 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.78 0.00 3 D 8.39 4.34 0.00 2.80 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 4 Y 7.93 4.13 0.00 3.10 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 5 L 8.37 3.75 0.00 1.94 1.74 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.05 3.96 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.23 0.92 0.00 0.00 7 T 8.11 4.05 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 1.24 0.00 0.00 8 Q 7.88 4.31 0.00 1.56 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 9 N 7.41 4.10 0.00 2.79 2.93 0.00 0.00 6.82 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 10 G 8.86 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 11 G 7.77 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 12 M 8.20 4.01 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 13 V 7.56 3.52 1.82 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 0.66 0.00 0.00 0.18 0.00 0.00 14 F 7.92 4.47 0.00 3.33 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 15 A 8.11 4.13 1.24 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 0.00 0.00 16 V 8.01 3.50 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 0.99 0.00 0.00 0.96 0.00 0.00 17 L 8.05 3.99 0.00 2.03 2.01 1.02 1.37 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 18 A 8.09 4.17 1.60 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 0.00 0.00 0.00 19 M 8.08 4.00 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.76 0.00 20 A 8.16 3.99 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 21 T 8.48 4.00 4.47 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 1.47 0.00 0.00 22 A 8.19 4.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.98 3.86 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 1.30 0.00 0.00 24 I 8.05 3.51 1.43 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.21 0.00 0.00 25 F 7.80 4.12 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 26 S 7.87 4.30 0.00 4.35 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 0.00 27 G 8.19 3.60 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 0.00 0.00 0.00 0.00 28 I 8.12 3.77 1.97 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 1.37 0.73 0.89 0.00 0.00 29 G 7.92 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 30 S 8.39 4.57 0.00 3.89 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 31 A 8.32 3.95 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 32 K 8.44 4.02 0.00 1.99 1.86 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.56 7.81 33 G 8.11 3.54 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 0.00 0.00 0.00 34 V 7.98 3.96 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 1.23 0.00 0.00 1.01 0.00 0.00 35 G 8.36 3.59 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 0.00 0.00 0.00 36 M 8.42 4.18 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 37 T 8.11 4.06 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 1.26 0.00 0.00 38 G 8.46 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 39 E 8.43 3.97 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 40 A 7.91 3.99 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 41 A 8.48 3.95 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 42 A 8.41 3.98 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 43 A 7.80 3.96 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 44 L 8.04 4.07 0.00 1.81 1.87 0.94 0.85 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 45 T 8.06 4.21 4.44 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 1.25 0.00 0.00 46 T 7.66 4.14 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 1.30 0.00 0.00 47 S 7.53 4.69 0.00 4.06 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 48 Q 8.62 4.85 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 49 P 0.00 4.48 0.00 2.20 2.41 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 50 E 8.22 4.15 0.00 2.16 2.26 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 2.38 2.29 0.00 51 K 8.04 4.54 0.00 2.03 1.86 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.38 7.81 52 F 8.31 4.31 0.00 3.17 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 53 G 8.14 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 0.00 0.00 0.00 54 Q 7.98 3.98 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 55 A 7.96 3.94 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 56 L 7.94 3.71 0.00 0.98 1.36 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.18 3.62 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.68 0.86 0.00 0.00 58 L 7.79 4.10 0.00 1.84 1.71 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.01 3.96 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 60 L 7.72 4.22 0.00 1.84 1.63 0.85 0.41 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 61 L 7.26 3.95 0.00 1.84 1.76 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.31 0.00 2.26 2.07 0.00 4.07 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.05 0.00 63 G 8.15 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 64 T 7.70 3.71 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 1.05 0.00 0.00 65 Q 8.30 4.34 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.78 2.68 0.00 66 G 8.44 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.17 4.00 0.00 1.54 1.51 0.72 0.61 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 68 Y 7.98 4.26 0.00 3.25 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 69 G 8.30 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 0.00 0.00 0.00 0.00 70 F 8.45 4.17 0.00 3.25 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.42 3.73 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 1.49 0.00 0.00 1.18 0.00 0.00 72 I 8.42 3.80 2.20 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.22 0.99 0.00 0.00 73 A 8.33 4.01 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 74 F 8.34 3.96 0.00 2.75 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 75 L 8.03 3.97 0.00 1.87 1.87 0.80 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.82 3.58 1.89 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 1.44 0.61 0.26 0.00 0.00 77 F 7.91 3.93 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.18 3.50 1.70 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.62 0.48 0.00 0.00 79 N 7.61 4.78 0.00 2.85 2.95 0.00 0.00 6.75 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.21 4.52 0.00 1.43 1.33 0.63 0.42 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 81 G 7.67 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.33 4.68 0.00 3.92 3.77 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 83 D 8.35 4.85 0.00 2.73 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 84 M 8.02 4.05 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.65 0.00 85 S 8.48 4.44 0.00 4.09 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 86 V 8.28 3.75 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 0.90 0.00 0.00 1.11 0.00 0.00 87 V 7.79 3.47 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 1.01 0.00 0.00 0.90 0.00 0.00 88 Q 7.95 3.91 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.31 0.00 89 G 8.33 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 0.00 0.00 0.00 90 L 8.44 3.96 0.00 1.66 1.57 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.39 4.24 0.00 2.66 2.60 0.00 0.00 6.96 8.94 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 92 F 8.15 4.29 0.00 3.36 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 93 L 8.09 4.19 0.00 2.03 1.96 1.10 1.00 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 94 G 8.53 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 95 A 8.27 4.10 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 96 S 8.06 4.31 0.00 4.25 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 0.00 97 L 7.79 4.17 0.00 1.86 1.98 0.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.36 0.00 2.35 2.18 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 99 I 7.97 3.83 2.06 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.43 1.09 0.00 0.00 100 A 7.96 3.95 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 0.00 101 F 8.32 4.52 0.00 3.28 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 0.00 102 T 8.31 4.25 4.54 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 1.40 0.00 0.00 103 G 8.44 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 0.00 0.00 0.00 104 L 8.08 3.98 0.00 2.02 1.83 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.41 4.24 0.00 3.41 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 0.00 106 S 8.66 4.42 0.00 4.38 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.25 3.67 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 0.00 0.00 0.00 108 I 7.60 3.71 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.06 0.95 0.00 0.00 109 A 8.18 4.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.81 4.08 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 111 G 8.23 3.76 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 0.00 0.00 0.00 112 K 7.89 4.01 0.00 1.98 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.61 7.81 113 V 7.55 3.58 2.26 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 1.12 0.00 0.00 0.99 0.00 0.00 114 A 8.50 4.02 1.43 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 0.00 115 A 8.18 3.95 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 0.00 116 A 8.25 4.19 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 0.00 117 G 8.26 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 0.00 118 I 7.53 3.76 2.06 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 1.72 0.91 0.95 0.00 0.00 119 Q 8.01 4.02 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 120 I 7.74 3.74 2.09 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 1.61 0.93 1.00 0.00 0.00 121 L 7.77 3.87 0.00 1.65 1.98 0.92 1.20 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 0.00 122 A 8.03 4.14 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 0.00 123 K 7.93 4.33 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.62 7.81 124 K 8.52 4.71 0.00 1.74 1.81 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.50 7.81 125 P 0.00 4.50 0.00 2.21 2.42 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 126 E 8.18 4.08 0.00 2.01 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 1.98 2.16 0.00 127 H 8.53 4.78 0.00 3.27 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.88 4.05 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 0.00 129 T 7.93 3.82 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 0.00 130 K 8.16 3.77 0.00 1.91 1.55 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.40 7.81 131 G 7.95 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 0.00 132 I 7.65 3.72 2.00 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 1.61 0.68 0.88 0.00 0.00 133 I 7.42 3.62 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.49 0.80 0.00 0.00 134 F 7.79 4.64 0.00 3.28 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 0.00 135 A 8.17 4.08 1.47 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 0.00 0.00 136 A 8.26 4.08 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 0.00 137 M 7.70 4.22 0.00 2.06 2.40 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.02 0.00 138 V 7.67 4.09 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 1.16 0.00 0.00 1.03 0.00 0.00 *140 T 7.98 4.08 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 0.70 0.00 0.00 141 Y 7.19 4.14 0.00 3.21 3.12 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 0.00 142 A 8.06 4.12 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 0.00 143 I 7.54 3.18 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.87 0.83 0.00 0.00 144 L 8.06 4.07 0.00 1.74 1.76 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.05 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.59 4.21 0.00 2.81 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 0.00 147 V 8.10 3.40 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 1.02 0.00 0.00 1.00 0.00 0.00 148 I 7.79 3.71 1.90 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 1.73 0.84 0.93 0.00 0.00 149 S 8.17 4.48 0.00 4.11 3.94 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 0.00 150 F 8.42 3.75 0.00 2.57 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 0.00 151 L 8.17 4.07 0.00 1.90 1.72 0.94 0.59 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 0.00 152 L 7.87 3.97 0.00 1.81 1.69 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.99 3.80 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 1.10 0.00 0.00 1.07 0.00 0.00 154 L 7.53 3.96 0.00 1.76 1.65 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.19 4.71 0.00 2.70 2.75 0.00 0.00 7.16 7.73 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 0.00 156 A 7.27 3.82 0.18 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 * Residues marked with a * may have inaccurate shift predictions.