NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5115 8.1727 120.1607 56.0114 33.8834 176.0487 3 V 3.6111 8.7331 122.1388 65.6290 31.3745 176.8162 4 K 3.9224 8.0089 118.3051 59.6637 32.0525 178.0312 5 K 3.9391 7.8307 119.0639 58.0746 32.0887 177.7437 6 W 4.6711 8.0581 116.7684 55.2269 30.1349 176.2248 7 V 4.0063 7.1467 118.6734 63.0270 31.8112 175.0396 8 T 4.7866 9.0876 120.6839 60.6429 69.8551 174.2755 9 Q 4.8150 8.7194 123.4457 56.2255 29.5639 176.4169 10 D 4.8442 8.1611 119.8936 52.1799 39.6528 174.8690 11 F 3.8296 7.0581 116.3480 53.5492 41.0151 173.1007 12 P 3.9314 0.0000 0.0000 62.6031 32.9075 175.4148 *14 V 4.1897 8.0911 113.0248 61.2281 33.5580 174.4633 15 E 4.8435 8.4531 122.5170 55.3149 30.7259 177.1462 16 E 3.9879 8.9885 122.4661 58.6662 29.6510 178.5712 17 S 4.8665 8.5052 112.4866 57.5997 63.5402 174.1046 18 A 4.2350 8.0470 125.0238 52.9425 18.8528 178.0988 19 T 4.6244 8.8204 111.6258 61.1250 71.0210 176.1115 20 V 3.5844 8.8067 122.1052 66.3133 31.4586 178.2558 21 R 3.8901 8.0785 118.1324 59.6802 29.9444 178.2724 22 E 4.0077 8.1433 118.2030 59.5464 29.2189 179.0182 23 C 4.1451 7.9513 117.6092 62.4890 31.7555 175.1821 24 L 4.1563 7.9929 119.6620 58.0368 41.5105 178.7517 25 H 4.3797 8.3215 118.0483 59.2557 29.7276 178.4075 26 R 3.8967 7.8414 117.2155 57.1569 30.1755 178.6617 *28 R 4.3378 7.9893 120.2969 56.4674 32.0650 178.0805 29 Q 3.9083 8.0537 115.8845 58.4071 28.7149 176.5756 30 Y 4.2978 7.8298 112.7447 56.8533 38.6842 175.3984 31 Q 3.3925 7.7747 118.0907 56.8523 26.6972 171.7205 32 T 4.8106 7.5032 109.5369 61.1353 71.4111 171.9811 33 N 5.2168 8.7524 116.7331 52.2357 38.7992 173.1695 34 E 5.2471 8.1197 119.2309 55.2465 33.2781 174.3339 35 C 4.8763 8.9346 124.9028 57.7120 35.0431 172.9524 36 I 4.5798 8.8187 127.5598 60.9870 37.9803 175.4249 37 V 4.8730 9.1038 126.2321 60.9647 34.4176 174.4484 38 K 5.2418 8.7843 125.7593 55.2249 36.6810 175.0925 39 D 5.0504 8.4766 120.6448 52.1943 41.8553 177.2465 40 R 4.0454 8.6872 116.1799 58.9751 30.1581 177.4570 41 E 4.1728 8.3218 115.2523 56.4359 29.9886 176.9976 42 G 3.9563 8.2459 108.4131 45.3853 0.0000 173.3865 43 H 4.7045 8.2876 117.2184 54.9612 29.4249 174.6215 44 F 4.7135 8.6861 124.9838 58.3796 39.9047 174.9768 45 R 4.0354 9.2391 126.6374 55.3060 32.1748 177.0618 46 G 3.5882 5.4865 103.1975 45.5601 0.0000 170.9178 47 V 5.0146 8.1313 113.1334 59.6181 36.4109 174.8932 48 V 4.6002 8.9345 123.2706 61.3882 33.7544 174.1541 49 N 5.2107 8.5801 125.1101 51.9565 40.0100 175.7998 50 K 3.8277 9.0231 125.2423 59.9055 31.7589 178.7258 51 E 4.0189 8.2016 117.0581 59.5208 29.2202 178.3158 52 D 4.5350 8.0370 117.9200 55.6518 41.1007 177.2729 53 L 4.5476 7.7311 118.9811 54.0053 41.9432 177.6766 54 L 3.9901 7.3975 121.4104 58.0194 42.0468 178.5574 55 D 5.0022 7.8688 116.0373 54.1941 41.5068 175.9886 56 L 4.7732 7.2072 118.2493 52.4167 44.4514 176.5089 57 D 4.4708 8.4239 121.3883 54.2068 42.0112 177.4499 58 L 4.0968 8.5447 125.4764 57.7224 41.8785 178.6610 59 D 4.5320 8.5099 117.4703 55.5575 41.3564 176.8568 60 S 4.3815 7.7365 114.5513 57.8624 63.8633 173.2202 61 S 4.9863 8.2005 115.2106 57.4848 63.4391 174.1579 62 V 4.0953 8.4299 117.3840 61.3834 31.8230 177.9069 63 F 4.2886 8.1356 123.0955 60.6390 39.0304 175.7934 64 N 4.6739 8.2710 113.5095 53.5382 38.6178 175.4383 65 K 4.4160 7.9157 117.3037 55.9188 32.7086 176.8197 66 V 3.9139 7.3374 119.0037 62.7916 32.3109 174.9086 67 S 4.6217 8.5912 120.6555 57.0861 67.5163 173.4472 68 L 3.6752 8.3964 118.4291 55.5213 38.3677 174.7421 69 P 4.4481 0.0000 0.0000 65.1579 31.8349 177.1540 70 D 4.9857 8.1742 117.0573 54.3077 41.1695 176.7911 71 F 4.5785 8.1354 123.3972 56.5165 37.8519 174.1484 72 F 4.4783 6.7484 118.9230 55.4881 40.6148 173.3317 73 V 4.5424 8.3089 112.1630 59.9247 36.2430 174.6746 74 H 5.0961 9.3393 119.0556 54.7301 29.9986 176.5981 75 E 3.9216 8.8602 120.8414 59.7001 29.4451 178.9156 76 E 4.5557 8.0016 114.3715 56.2149 30.0239 175.9676 77 D 4.6204 7.8655 120.0942 53.9496 41.7131 175.3753 78 N 4.9002 8.4069 118.1299 52.7448 39.5455 176.5948 79 I 3.7706 8.5457 121.5976 64.4306 37.6717 178.2219 80 T 4.0041 8.1175 110.3366 65.1832 68.4116 175.6401 81 H 4.1879 8.6149 121.1500 58.9594 29.7847 176.9553 82 A 3.6395 7.8795 122.4990 54.7860 18.0218 179.2292 83 L 3.8382 7.6045 118.6974 58.3907 42.0283 179.0178 84 L 3.9306 7.7375 119.7720 58.0163 41.8985 179.0416 85 L 3.8825 7.4269 118.4979 57.7909 41.4230 179.3024 86 F 4.7722 7.7337 118.0467 59.8496 38.7770 177.1626 87 L 4.1304 7.9285 119.6188 58.0449 41.9210 178.6466 88 E 4.1611 7.6547 117.8022 58.0874 29.6661 177.3257 89 H 4.6571 8.2125 116.7911 54.5885 32.7415 174.3409 90 Q 4.6663 8.5072 128.1677 54.9945 27.7091 175.8827 91 E 4.3820 7.8030 117.5580 55.2201 31.2114 176.1727 92 P 4.3495 0.0000 0.0000 65.3033 32.6444 175.4277 93 Y 5.2417 8.5769 117.6562 56.1313 41.4753 174.5636 94 L 4.1588 9.1475 127.4230 52.5910 43.6606 173.9589 95 P 4.2870 0.0000 0.0000 62.6935 32.7227 175.3305 96 V 4.7173 8.3144 123.2818 61.2021 34.2272 174.8140 97 V 4.9560 8.5355 119.9304 59.7156 36.2226 174.9052 98 D 5.0042 8.2169 122.2040 52.2720 41.3456 176.1777 99 E 4.1614 8.9416 116.6578 58.9480 29.8010 177.9123 100 E 4.2097 8.3428 117.6023 57.9212 30.7104 176.5198 *102 R 4.1914 7.5402 116.4332 55.4609 31.3086 174.7926 103 L 4.4567 8.7834 125.2628 55.3595 42.2458 176.7130 104 K 4.4923 10.3731 125.0866 55.7005 33.9283 177.1870 105 G 3.7949 6.7509 105.2140 45.2306 0.0000 170.9966 106 A 4.7989 7.4647 120.4804 50.2417 23.4879 175.8402 107 V 4.7347 8.5061 120.0891 61.0075 33.3331 175.5482 108 S 4.5786 8.8364 123.2440 58.0687 64.0043 174.9239 109 L 3.2493 8.8837 124.7413 58.4794 41.6971 178.9556 110 H 4.0032 8.0552 117.4121 59.6390 29.8237 176.8481 111 D 4.4316 8.4433 120.6888 57.1105 40.6550 178.4339 112 F 3.8900 8.4810 121.6144 61.3578 39.2810 177.2343 113 L 3.5681 7.8967 118.4944 57.5445 41.3250 179.0746 114 E 3.7168 7.9884 119.0574 58.9408 29.4113 178.7132 115 A 3.0191 6.9427 120.7407 54.8656 18.0228 179.7131 116 L 3.6559 6.8199 115.8676 57.6453 41.6010 179.4932 117 I 3.7508 7.4887 119.5212 64.1028 37.0536 177.7729 118 E 4.0668 7.8543 118.9763 58.7568 30.9627 178.2636 119 A 4.3465 7.7219 120.7375 49.8448 15.3564 175.9596 120 L 4.7965 6.6473 120.4571 52.7891 45.1589 174.4912 121 A 4.2441 7.8520 122.7338 52.9467 19.2852 176.0154 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 2 K 8.17 4.51 0.00 1.87 1.86 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.41 7.81 3 V 8.73 3.61 2.35 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 1.09 0.00 0.00 1.01 0.00 0.00 4 K 8.01 3.92 0.00 2.12 1.83 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.48 7.81 5 K 7.83 3.94 0.00 1.60 1.59 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.46 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.05 1.29 7.81 6 W 8.06 4.67 0.00 3.31 3.28 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 7 V 7.15 4.01 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 0.79 0.00 0.00 1.02 0.00 0.00 8 T 9.09 4.79 4.41 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 1.55 0.00 0.00 9 Q 8.72 4.82 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.09 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 10 D 8.16 4.84 0.00 2.79 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 11 F 7.06 3.83 0.00 2.19 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 12 P 0.00 3.93 0.00 2.02 2.01 0.00 2.43 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 *14 V 8.09 4.19 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 0.68 0.00 0.00 0.95 0.00 0.00 15 E 8.45 4.84 0.00 2.03 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 0.00 2.54 2.27 0.00 16 E 8.99 3.99 0.00 2.17 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 0.00 2.39 2.53 0.00 17 S 8.51 4.87 0.00 3.97 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 18 A 8.05 4.23 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 19 T 8.82 4.62 4.43 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 1.27 0.00 0.00 20 V 8.81 3.58 2.35 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 1.09 0.00 0.00 0.99 0.00 0.00 21 R 8.08 3.89 0.00 2.06 1.93 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 22 E 8.14 4.01 0.00 2.27 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 2.34 2.33 0.00 23 C 7.95 4.15 0.00 3.01 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 24 L 7.99 4.16 0.00 1.83 1.76 0.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.32 4.38 0.00 3.28 3.50 0.00 5.79 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 26 R 7.84 3.90 0.00 2.07 1.99 0.00 3.39 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 *28 R 7.99 4.34 0.00 2.06 2.01 0.00 3.14 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 29 Q 8.05 3.91 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 30 Y 7.83 4.30 0.00 3.00 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 31 Q 7.77 3.39 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 32 T 7.50 4.81 4.64 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 1.44 0.00 0.00 33 N 8.75 5.22 0.00 2.86 2.98 0.00 0.00 5.32 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 34 E 8.12 5.25 0.00 2.31 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 35 C 8.93 4.88 0.00 3.04 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 36 I 8.82 4.58 2.28 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 1.30 0.81 1.18 0.00 0.00 37 V 9.10 4.87 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.93 0.00 0.00 38 K 8.78 5.24 0.00 2.03 1.96 0.00 1.38 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.37 7.81 39 D 8.48 5.05 0.00 2.86 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 40 R 8.69 4.05 0.00 1.84 2.05 0.00 3.21 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 41 E 8.32 4.17 0.00 2.01 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 2.28 2.26 0.00 42 G 8.25 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 43 H 8.29 4.70 0.00 3.55 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.69 4.71 0.00 2.87 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 9.24 4.04 0.00 1.71 1.66 0.00 3.37 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 46 G 5.49 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 47 V 8.13 5.01 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 0.97 0.00 0.00 0.99 0.00 0.00 48 V 8.93 4.60 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 0.98 0.00 0.00 0.93 0.00 0.00 49 N 8.58 5.21 0.00 2.83 2.71 0.00 0.00 6.75 7.04 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 50 K 9.02 3.83 0.00 1.85 1.85 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.50 7.81 51 E 8.20 4.02 0.00 2.24 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 2.36 2.41 0.00 52 D 8.04 4.54 0.00 2.87 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 53 L 7.73 4.55 0.00 1.70 1.69 0.94 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.40 3.99 0.00 1.70 1.72 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.87 5.00 0.00 2.69 2.65 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 56 L 7.21 4.77 0.00 1.67 1.57 1.00 0.94 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 57 D 8.42 4.47 0.00 2.68 2.54 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 58 L 8.54 4.10 0.00 1.75 1.71 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.51 4.53 0.00 2.76 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 60 S 7.74 4.38 0.00 4.05 4.01 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 61 S 8.20 4.99 0.00 3.87 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 62 V 8.43 4.10 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 0.71 0.00 0.00 1.05 0.00 0.00 63 F 8.14 4.29 0.00 2.96 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 64 N 8.27 4.67 0.00 2.81 2.87 0.00 0.00 6.79 7.61 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 65 K 7.92 4.42 0.00 1.80 1.82 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.51 7.81 66 V 7.34 3.91 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 0.70 0.00 0.00 0.85 0.00 0.00 67 S 8.59 4.62 0.00 3.89 3.63 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 68 L 8.40 3.68 0.00 1.90 1.73 0.41 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.45 0.00 2.20 2.11 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 70 D 8.17 4.99 0.00 2.76 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 71 F 8.14 4.58 0.00 2.92 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 72 F 6.75 4.48 0.00 2.52 2.25 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 73 V 8.31 4.54 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.75 0.00 0.00 74 H 9.34 5.10 0.00 3.46 3.24 0.00 5.83 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 75 E 8.86 3.92 0.00 2.07 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 2.34 2.47 0.00 76 E 8.00 4.56 0.00 1.96 1.98 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 2.28 2.27 0.00 77 D 7.87 4.62 0.00 2.89 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 78 N 8.41 4.90 0.00 2.80 2.77 0.00 0.00 6.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.55 3.77 2.02 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 1.34 1.32 0.92 0.00 0.00 80 T 8.12 4.00 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 1.23 0.00 0.00 81 H 8.61 4.19 0.00 3.23 3.50 0.00 5.79 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 82 A 7.88 3.64 1.21 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 0.00 0.00 0.00 83 L 7.60 3.84 0.00 2.14 2.02 1.16 0.48 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 84 L 7.74 3.93 0.00 1.79 1.67 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.43 3.88 0.00 1.26 1.18 0.61 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 86 F 7.73 4.77 0.00 2.72 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 87 L 7.93 4.13 0.00 1.72 1.87 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.65 4.16 0.00 2.11 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 89 H 8.21 4.66 0.00 2.40 2.67 0.00 5.61 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 8.51 4.67 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.64 0.00 91 E 7.80 4.38 0.00 2.21 2.25 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 1.86 1.61 0.00 92 P 0.00 4.35 0.00 1.73 2.22 0.00 3.86 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 2.46 2.10 0.00 93 Y 8.58 5.24 0.00 3.01 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 94 L 9.15 4.16 0.00 0.86 1.39 -0.52 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.29 0.00 1.26 1.31 0.00 3.12 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 2.04 2.06 0.00 96 V 8.31 4.72 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.87 0.00 0.00 97 V 8.54 4.96 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 0.45 0.00 0.00 0.47 0.00 0.00 98 D 8.22 5.00 0.00 2.69 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 99 E 8.94 4.16 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 100 E 8.34 4.21 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 *102 R 7.54 4.19 0.00 2.12 1.89 0.00 3.25 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 103 L 8.78 4.46 0.00 1.70 1.76 0.98 1.08 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 0.00 104 K 10.37 4.49 0.00 1.69 1.81 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.49 7.81 105 G 6.75 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 0.00 0.00 0.00 106 A 7.46 4.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.51 4.73 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 1.19 0.00 0.00 1.00 0.00 0.00 108 S 8.84 4.58 0.00 3.73 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 0.00 109 L 8.88 3.25 0.00 1.51 1.48 -0.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.06 4.00 0.00 3.18 3.26 0.00 5.73 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 0.00 111 D 8.44 4.43 0.00 3.02 3.01 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 0.00 112 F 8.48 3.89 0.00 3.11 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 0.00 113 L 7.90 3.57 0.00 1.69 1.52 0.82 0.58 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 0.00 114 E 7.99 3.72 0.00 1.89 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 2.48 2.35 0.00 115 A 6.94 3.02 -0.07 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 0.00 116 L 6.82 3.66 0.00 1.35 1.47 0.18 0.41 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 0.00 117 I 7.49 3.75 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.47 0.87 0.00 0.00 118 E 7.85 4.07 0.00 2.08 2.30 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 2.38 2.43 0.00 119 A 7.72 4.35 1.21 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 0.00 0.00 0.00 120 L 6.65 4.80 0.00 1.88 1.76 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.85 4.24 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 * Residues marked with a * may have inaccurate shift predictions.