NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 Y 4.5032 8.0027 119.1527 56.3956 39.3192 173.9713 7 V 4.8242 8.3665 121.3541 60.3061 33.6373 173.5909 8 F 5.0489 10.1290 131.2823 56.4467 43.1842 172.7438 9 E 4.9649 7.7219 123.6693 54.8119 31.9947 174.4586 10 D 4.7192 8.7177 121.9333 53.0786 45.7530 173.5453 11 V 4.8066 8.0019 117.8359 61.0885 34.8848 174.5759 12 V 4.0188 8.6055 127.7398 62.7957 32.5259 175.2998 13 R 4.6901 8.6537 126.2390 53.8376 33.3687 177.0119 14 I 3.5486 7.9798 119.9571 64.3273 37.9919 176.9021 15 Y 4.4314 7.1466 115.5310 58.3656 38.2687 175.5869 16 D 4.4728 8.1402 121.2288 54.6824 41.5276 175.9086 17 T 5.0689 7.7425 108.9456 58.8024 71.3169 172.9845 18 D 5.0567 8.1169 121.3138 51.0581 42.2342 176.2834 19 A 4.2590 8.5729 120.8751 55.2019 18.1892 178.4601 20 Q 4.1329 8.4715 113.2707 56.2612 28.7417 176.7932 21 G 3.9442 9.0339 106.8082 45.7430 0.0000 173.2088 22 I 4.9011 7.2200 111.2009 58.4935 41.5390 173.8643 23 A 4.4037 8.8255 125.8795 52.5911 18.8079 177.3285 24 H 4.7520 8.5409 118.0975 54.1567 30.7522 175.6532 25 Y 4.1597 9.0193 119.0742 61.1079 38.5895 178.4135 26 A 3.8365 8.3136 120.4330 54.8926 18.5241 179.2756 27 A 3.5423 8.2831 119.8428 55.2933 18.3079 179.4656 28 Y 3.9307 7.3657 115.0193 61.0426 37.8573 177.9077 29 Y 2.3900 7.6255 120.2011 60.0365 38.8564 177.8917 30 R 3.4183 7.2359 119.3068 59.1964 30.0836 178.6175 31 F 4.3963 7.2954 117.4576 60.6397 38.9295 177.8061 32 F 4.1787 7.8894 114.1893 59.9722 37.5496 177.7743 33 T 3.7835 7.3860 116.5927 66.4171 68.1280 176.5167 34 N 4.1129 7.8446 118.5056 56.2615 38.4617 177.6891 35 T 3.1970 7.3168 117.0959 66.4166 68.5343 176.9042 36 I 3.2890 7.5502 121.7834 64.1706 37.0272 178.1402 37 E 3.7519 8.1511 120.5385 58.9616 29.3500 178.6727 38 K 3.9664 7.6613 119.2016 58.7490 32.1747 178.4828 39 F 4.0196 8.0249 121.0852 61.3383 39.3030 177.0486 40 I 3.4048 7.6291 119.1734 64.0769 37.0385 178.3326 41 K 4.0091 7.9126 122.5984 60.2669 31.8889 179.3416 42 E 3.9372 8.1590 117.5254 60.7572 29.7071 180.8230 43 K 4.1047 8.1599 119.4797 58.7536 32.5021 178.6297 44 V 3.6398 7.4992 117.3763 63.1186 31.7860 176.1496 45 G 3.8143 7.8749 106.7847 46.3816 0.0000 172.8579 46 I 4.7255 7.4080 110.5548 57.7640 40.9393 172.8174 47 P 4.6094 0.0000 0.0000 62.3323 32.0179 175.4427 48 Y 4.8977 8.1673 121.1521 55.4037 41.9614 173.4260 49 P 3.9894 0.0000 0.0000 62.9144 32.1913 175.1285 50 I 4.3560 7.2228 120.7073 60.1385 37.5967 175.4671 51 V 4.0996 8.6384 126.3976 64.9923 31.8746 175.0913 52 N 4.9743 7.6376 114.0972 52.1517 39.3494 174.2211 53 E 4.1704 8.9372 116.6108 59.1537 29.2750 177.6640 54 N 4.7105 8.6699 115.0793 52.2958 39.3716 173.7294 55 L 4.5520 7.9401 122.1742 54.3631 44.8722 174.3454 56 W 5.4600 9.1003 126.5259 54.9661 33.1797 174.5746 57 F 5.2035 9.1427 120.7865 55.9538 40.1859 175.7375 58 V 4.6602 8.9235 123.3741 61.0583 34.9800 174.2511 59 I 4.8460 8.6494 127.3596 61.1593 37.2857 175.5555 60 A 4.6124 9.1498 129.0812 53.2035 20.2999 176.7056 61 E 4.9587 7.9325 114.2412 55.4130 32.9938 174.3078 62 S 5.1935 8.6175 119.4427 57.2899 66.7208 172.5098 63 H 4.7117 8.5232 119.2800 55.2631 33.4162 172.0950 64 A 4.6203 7.7035 124.7410 50.6508 22.4206 175.3708 65 I 4.0054 8.1034 121.9340 59.6325 40.4399 174.5335 66 Y 4.2888 8.3304 125.1372 56.6516 37.4233 175.3157 67 H 4.4628 8.7478 120.8498 58.3223 29.3416 175.7550 68 R 4.9583 8.2762 114.9430 53.5936 33.9366 173.5268 69 P 4.8430 0.0000 0.0000 62.7496 32.8795 175.4750 70 V 4.7018 8.1256 110.2800 59.7616 35.8062 174.9767 71 K 4.9351 8.9604 120.9568 53.9734 36.2214 175.6451 72 L 4.0200 8.3405 121.6844 57.1075 41.9575 176.9549 73 G 3.9847 8.9344 115.5665 45.0838 0.0000 173.3871 74 D 4.4463 7.8011 120.4363 54.5847 41.9404 175.6932 75 K 4.6748 8.5338 122.4761 55.5259 33.2502 176.0498 76 L 4.9263 8.7934 125.1545 53.1974 44.9392 175.4127 77 T 4.9037 8.6538 118.8687 61.7908 71.4048 173.2723 78 V 4.8738 9.1331 126.4810 61.1813 34.2861 174.0434 79 L 5.1450 9.1932 128.3488 53.2129 43.6233 174.9843 80 L 5.1656 9.2882 127.1594 53.4393 44.2717 175.4685 81 N 4.9772 9.3280 125.2846 50.8862 40.7911 170.3921 82 P 4.6733 0.0000 0.0000 62.6824 32.6145 176.3448 83 K 4.5256 8.7224 128.0440 53.0484 34.8256 172.4399 84 I 4.1461 8.3357 126.6672 60.2081 37.2407 175.6145 85 L 4.2971 8.5775 126.8090 56.3440 42.5108 176.5067 86 S 4.5423 7.3294 110.6841 57.1307 65.4788 173.8408 87 N 4.4107 8.7743 117.7512 55.8841 38.8475 175.4790 88 K 4.5019 8.2017 115.9629 56.4808 33.8615 175.5712 89 T 5.2139 7.8258 115.7139 61.7305 72.3638 172.9045 90 I 4.6455 9.0782 127.2817 59.2173 40.7406 174.5105 91 K 4.5538 8.7997 129.0347 55.0370 33.5339 175.5400 92 F 4.8638 9.1925 129.0204 56.5173 39.7696 174.9872 93 E 5.0237 8.7655 124.5224 55.3602 31.1870 175.9060 94 F 6.1945 8.6099 117.7142 54.2401 42.0590 173.5979 95 K 5.1470 8.8371 118.7985 54.7558 36.2991 174.9382 96 V 4.9420 9.0746 124.1311 61.2318 33.9744 174.1922 97 L 5.3653 9.4690 128.2021 52.8523 44.8598 175.3305 98 K 4.5324 8.8635 123.9630 54.9182 35.0693 175.9441 99 D 4.4854 9.6615 128.9713 55.5577 38.2429 174.5595 100 G 3.9071 7.9422 102.9001 45.9212 0.0000 172.6726 101 E 4.3985 7.8450 120.2273 54.3388 30.7933 175.2965 102 L 4.4689 8.4555 125.5982 55.5213 42.2275 176.0884 103 T 4.5189 9.0540 117.9901 63.7727 70.7616 174.8510 104 T 5.2464 7.8132 116.4215 62.5774 73.2242 172.5471 105 E 4.8643 8.1478 120.5692 55.6463 33.5230 175.2863 106 G 3.5557 7.3372 107.5330 46.9740 0.0000 171.3771 107 Y 5.6361 7.0188 114.8664 57.1691 41.6297 173.8510 108 V 5.1076 8.4159 113.3844 59.8299 35.8020 174.4009 109 I 4.9014 8.8943 125.7490 60.1787 38.9825 174.6295 110 Q 5.4181 9.7147 126.5736 54.2566 31.8133 174.6703 111 I 5.1824 8.9418 123.4951 59.3413 40.8567 174.6267 112 A 4.1310 8.8435 129.3530 51.5195 19.3816 176.4803 113 I 4.7245 8.5165 115.7913 58.9166 42.0480 174.1939 114 N 5.0454 8.8454 122.6483 50.8556 39.0244 174.0118 115 P 4.1627 0.0000 0.0000 64.6099 31.7559 177.9327 116 K 4.0623 7.9990 119.1377 58.4585 31.9907 177.7011 117 I 4.1956 7.5676 108.8481 59.2814 39.1996 174.6241 118 W 3.2586 8.0437 130.5309 58.3771 29.2465 173.7839 119 K 4.6790 7.1088 119.0221 54.2532 35.4894 176.4116 120 S 4.5839 8.6575 121.7418 59.4155 63.5547 173.1915 121 T 4.5675 8.3164 114.6779 60.8005 70.4642 175.6478 122 E 4.2516 8.3824 125.3227 55.3651 29.8841 173.9801 *124 P 4.2166 0.0000 0.0000 63.6777 32.8037 177.3695 125 K 4.3594 8.3358 121.1667 54.8567 30.5391 175.6100 126 E 4.8856 7.8456 119.2840 57.5804 37.4300 177.5759 127 I 4.0297 7.8625 120.9516 59.9035 35.5291 177.3592 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *6 Y 8.00 4.50 0.00 2.90 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 7 V 8.37 4.82 2.15 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 0.94 0.00 0.00 0.96 0.00 0.00 8 F 10.13 5.05 0.00 3.15 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 9 E 7.72 4.96 0.00 1.55 1.62 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 2.11 2.12 0.00 10 D 8.72 4.72 0.00 2.78 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 0.00 0.00 0.00 11 V 8.00 4.81 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 0.82 0.00 0.00 0.86 0.00 0.00 12 V 8.61 4.02 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 0.97 0.00 0.00 0.94 0.00 0.00 13 R 8.65 4.69 0.00 0.67 1.05 0.00 3.20 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.46 0.00 14 I 7.98 3.55 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.22 0.91 0.00 0.00 15 Y 7.15 4.43 0.00 3.05 3.07 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 16 D 8.14 4.47 0.00 2.74 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 17 T 7.74 5.07 4.23 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 1.16 0.00 0.00 18 D 8.12 5.06 0.00 2.92 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 19 A 8.57 4.26 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 20 Q 8.47 4.13 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.31 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 21 G 9.03 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 0.00 0.00 0.00 22 I 7.22 4.90 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.88 0.98 0.00 0.00 23 A 8.83 4.40 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.54 4.75 0.00 3.31 3.65 0.00 5.49 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 9.02 4.16 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 26 A 8.31 3.84 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.28 3.54 0.82 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 0.00 0.00 28 Y 7.37 3.93 0.00 3.27 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.63 2.39 0.00 2.65 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 30 R 7.24 3.42 0.00 1.64 1.57 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 31 F 7.30 4.40 0.00 3.07 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 32 F 7.89 4.18 0.00 2.66 2.49 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 33 T 7.39 3.78 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 1.02 0.00 0.00 34 N 7.84 4.11 0.00 2.54 2.33 0.00 0.00 7.02 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 35 T 7.32 3.20 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 1.22 0.00 0.00 36 I 7.55 3.29 1.36 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.48 -0.94 0.00 0.00 37 E 8.15 3.75 0.00 2.17 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 2.30 2.44 0.00 38 K 7.66 3.97 0.00 1.87 1.73 0.00 2.10 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 39 F 8.02 4.02 0.00 3.04 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 40 I 7.63 3.40 1.72 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.48 0.89 0.00 0.00 41 K 7.91 4.01 0.00 1.99 1.74 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.47 7.81 42 E 8.16 3.94 0.00 2.07 1.85 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 2.26 2.22 0.00 43 K 8.16 4.10 0.00 0.79 1.15 0.00 1.57 0.00 0.00 1.46 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.17 1.13 7.81 44 V 7.50 3.64 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.69 0.00 0.00 45 G 7.87 3.81 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 0.00 0.00 0.00 46 I 7.41 4.73 1.94 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 1.44 0.82 0.94 0.00 0.00 47 P 0.00 4.61 0.00 2.33 2.04 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.09 0.00 48 Y 8.17 4.90 0.00 2.81 2.66 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 49 P 0.00 3.99 0.00 2.05 1.09 0.00 3.44 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 50 I 7.22 4.36 1.70 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 -0.05 1.02 0.00 0.00 51 V 8.64 4.10 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 0.90 0.00 0.00 1.23 0.00 0.00 52 N 7.64 4.97 0.00 3.00 2.96 0.00 0.00 6.17 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 53 E 8.94 4.17 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 2.43 2.40 0.00 54 N 8.67 4.71 0.00 2.75 2.70 0.00 0.00 6.24 6.67 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 55 L 7.94 4.55 0.00 1.63 1.68 0.74 1.31 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 56 W 9.10 5.46 0.00 3.16 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 57 F 9.14 5.20 0.00 3.00 3.22 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 58 V 8.92 4.66 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 1.28 0.00 0.00 1.03 0.00 0.00 59 I 8.65 4.85 2.06 0.00 0.00 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 1.58 1.01 1.13 0.00 0.00 60 A 9.15 4.61 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.93 4.96 0.00 2.14 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 0.00 2.50 2.40 0.00 62 S 8.62 5.19 0.00 3.93 3.89 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 0.00 0.00 0.00 63 H 8.52 4.71 0.00 2.61 1.72 0.00 5.80 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 64 A 7.70 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.10 4.01 1.60 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.81 0.62 0.00 0.00 66 Y 8.33 4.29 0.00 2.79 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 67 H 8.75 4.46 0.00 3.19 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.28 4.96 0.00 1.70 1.84 0.00 3.19 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 69 P 0.00 4.84 0.00 2.14 2.12 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 70 V 8.13 4.70 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 0.89 0.00 0.00 1.00 0.00 0.00 71 K 8.96 4.94 0.00 1.76 1.66 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.37 7.81 72 L 8.34 4.02 0.00 1.55 1.57 0.89 1.05 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 73 G 8.93 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 0.00 0.00 0.00 74 D 7.80 4.45 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.53 4.67 0.00 1.58 1.67 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.41 7.81 76 L 8.79 4.93 0.00 1.21 1.30 -0.14 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.65 4.90 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 1.23 0.00 0.00 78 V 9.13 4.87 2.28 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 1.11 0.00 0.00 1.03 0.00 0.00 79 L 9.19 5.15 0.00 1.65 1.60 0.94 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 80 L 9.29 5.17 0.00 1.63 1.61 1.07 -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 0.00 0.00 0.00 0.00 81 N 9.33 4.98 0.00 2.79 2.62 0.00 0.00 6.61 7.28 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 82 P 0.00 4.67 0.00 1.88 1.76 0.00 3.78 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 1.78 1.03 0.00 83 K 8.72 4.53 0.00 1.40 1.69 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.25 7.81 84 I 8.34 4.15 1.84 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 1.38 0.89 0.95 0.00 0.00 85 L 8.58 4.30 0.00 1.73 1.67 0.83 0.78 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 86 S 7.33 4.54 0.00 3.94 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 87 N 8.77 4.41 0.00 2.71 2.90 0.00 0.00 6.75 6.68 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 88 K 8.20 4.50 0.00 1.86 1.79 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.37 7.81 89 T 7.83 5.21 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 1.23 0.00 0.00 90 I 9.08 4.65 1.59 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 1.02 1.03 -0.06 0.00 0.00 91 K 8.80 4.55 0.00 1.63 1.51 0.00 1.30 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.07 7.81 92 F 9.19 4.86 0.00 3.15 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 93 E 8.77 5.02 0.00 2.08 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 2.22 2.17 0.00 94 F 8.61 6.19 0.00 3.14 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 95 K 8.84 5.15 0.00 1.75 1.74 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.41 7.81 96 V 9.07 4.94 2.33 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 1.11 0.00 0.00 1.27 0.00 0.00 97 L 9.47 5.37 0.00 1.75 1.53 0.96 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.86 4.53 0.00 1.76 1.63 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.37 7.81 99 D 9.66 4.49 0.00 2.80 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 0.00 100 G 7.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.85 4.40 0.00 2.18 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 0.00 2.44 2.38 0.00 102 L 8.46 4.47 0.00 1.57 1.56 1.04 0.92 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 0.00 103 T 9.05 4.52 4.58 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 1.29 0.00 0.00 104 T 7.81 5.25 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 105 E 8.15 4.86 0.00 1.96 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 0.00 2.22 2.17 0.00 106 G 7.34 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.02 5.64 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.42 5.11 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 0.64 0.00 0.00 0.92 0.00 0.00 109 I 8.89 4.90 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.86 0.98 0.00 0.00 110 Q 9.71 5.42 0.00 2.28 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.75 0.00 0.00 0.00 0.00 0.00 2.71 2.99 0.00 111 I 8.94 5.18 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.95 0.92 0.00 0.00 112 A 8.84 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.52 4.72 1.33 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.45 0.56 0.00 0.00 114 N 8.85 5.05 0.00 2.65 2.61 0.00 0.00 6.87 8.53 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 0.00 115 P 0.00 4.16 0.00 1.06 0.49 0.00 3.37 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 1.41 0.44 0.00 116 K 8.00 4.06 0.00 1.79 1.86 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.45 7.81 117 I 7.57 4.20 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.59 0.90 0.00 0.00 118 W 8.04 3.26 0.00 3.51 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 0.00 119 K 7.11 4.68 0.00 1.83 1.50 0.00 1.68 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.43 7.81 120 S 8.66 4.58 0.00 3.84 3.78 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 0.00 121 T 8.32 4.57 4.14 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 1.09 0.00 0.00 122 E 8.38 4.25 0.00 1.97 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 2.31 2.34 0.00 *124 P 0.00 4.22 0.00 2.24 2.16 0.00 3.90 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 1.97 2.10 0.00 125 K 8.34 4.36 0.00 1.78 1.83 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.38 7.81 126 E 7.85 4.89 0.00 1.94 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 2.12 1.84 0.00 127 I 7.86 4.03 1.87 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 1.27 1.10 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.