NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3963 8.3193 115.2787 58.3870 63.5648 172.9643 2 N 4.8631 8.5157 121.0486 52.6612 38.5620 172.7400 3 R 5.3537 8.7707 120.1094 55.0623 35.3372 175.1555 4 A 5.2437 9.2697 122.9077 50.7942 23.5438 175.3392 5 V 4.5025 8.6514 117.6637 60.0677 35.1375 173.4281 6 A 5.1910 8.8064 125.7197 49.3169 21.6506 175.2343 7 V 4.3933 8.1376 122.9343 61.3005 33.1516 174.6178 8 L 4.4789 8.7800 129.8647 54.3648 43.0400 176.4166 9 R 4.6633 8.6844 122.7004 54.5783 33.9348 174.8438 10 G 4.1717 8.2675 108.1479 45.8501 0.0000 173.2598 11 E 4.2789 9.1238 119.5762 58.9490 29.4762 178.7011 12 T 4.4235 7.7409 105.7579 61.6866 70.9983 173.4672 13 V 4.4847 7.6778 121.6934 62.0697 32.7336 175.2285 14 T 4.8680 8.8111 116.8862 59.8098 73.1927 172.4115 15 G 4.2417 7.5741 108.7995 46.7355 0.0000 172.1309 16 T 5.0975 8.2623 115.7811 61.8163 72.6693 173.5293 17 I 4.8869 8.7321 127.4761 59.3362 40.3826 174.8046 18 W 5.1094 9.5113 127.7596 55.5525 31.4423 175.4857 19 I 5.1251 9.0987 123.8731 59.9595 40.0054 174.6510 20 T 5.1492 8.9374 123.3943 61.9237 72.1979 173.2605 21 Q 4.6949 8.9383 126.4048 55.4027 31.5960 174.3993 22 K 4.1936 9.0891 127.4413 59.4457 32.6817 176.7302 23 S 4.0952 7.4449 111.1477 56.8189 65.2182 175.3373 24 E 3.4711 7.7467 118.4017 58.8764 29.0475 177.5911 25 N 4.6102 7.5065 114.6413 53.3726 39.1655 174.5855 26 D 4.8492 7.4586 118.4260 52.4529 42.7076 175.8637 27 Q 4.1634 8.3814 122.6999 55.6172 29.8298 175.6985 28 A 4.5612 8.4687 126.6263 51.9451 19.7677 176.4818 29 V 4.5565 8.8874 119.9990 61.1506 34.5936 174.3875 30 I 5.0116 8.7085 128.7867 59.6809 39.4718 174.3289 31 E 5.1220 9.4163 128.0043 54.3159 33.4306 175.2035 32 G 3.9920 7.9725 112.0929 46.3424 0.0000 170.7916 33 E 5.8139 8.0402 118.2998 53.8630 34.4478 174.8194 34 I 4.9095 8.2828 122.9070 59.4794 40.8015 174.6832 35 K 4.7291 9.3352 125.7446 55.4503 35.6733 177.3971 36 G 3.9347 8.8364 108.7363 46.5288 0.0000 173.8210 37 L 4.1743 7.4626 119.3806 53.9373 42.4335 177.0844 38 T 4.1163 8.1266 112.3913 60.7121 69.5074 172.5422 39 P 4.2635 0.0000 0.0000 63.8026 32.2732 175.2294 40 G 3.6673 8.5971 105.7274 43.9927 0.0000 172.0826 41 L 4.6960 8.0639 118.3430 54.4584 42.7632 176.5903 42 H 4.8807 9.1782 119.5829 53.6628 33.3656 173.3336 43 G 4.2876 8.8214 109.0377 47.2799 0.0000 172.3874 44 F 5.8162 8.9738 124.3136 56.7612 42.6494 173.2454 45 H 5.2760 9.1880 122.3782 53.9933 33.5674 172.7932 46 V 4.2979 8.7216 122.7757 63.0490 32.6435 174.8619 47 H 5.3270 8.9946 124.4682 54.0165 31.6004 175.5167 48 Q 3.8192 8.8507 119.5481 58.5372 29.1518 176.8320 49 Y 4.9472 8.1468 115.7268 56.1743 41.0931 177.3980 50 G 3.7275 8.5901 110.4012 46.0777 0.0000 173.2041 51 D 4.3182 8.0375 119.2392 55.0258 40.8891 176.3945 52 S 4.9727 8.3820 122.6883 58.1516 63.4825 175.5320 53 T 3.9804 8.4858 113.7863 64.8529 69.4259 173.8411 54 N 4.9620 8.1403 120.6328 52.7863 39.6267 173.7565 55 G 3.7432 7.5477 115.0634 47.4621 0.0000 174.0354 56 C 4.5853 8.5518 120.0644 57.3911 35.6425 175.4688 57 I 3.7478 7.8415 122.5298 64.1458 36.4756 177.6375 58 S 4.4529 7.9289 111.4723 59.4493 63.4156 175.4178 59 A 4.7109 7.2703 125.9308 54.3344 18.2046 178.5828 60 G 4.2451 8.1085 105.3881 44.3701 0.0000 171.2501 61 P 4.6707 0.0000 0.0000 61.6427 33.2336 175.3511 62 H 4.0372 8.5973 117.2568 56.6237 29.6219 175.2610 63 F 4.4557 9.2370 125.1524 57.1863 40.0299 174.8549 64 N 4.6435 7.7012 126.2616 51.0632 38.6251 172.9505 65 P 4.0247 0.0000 0.0000 65.0175 32.0009 178.1973 66 F 4.7286 7.5951 115.4074 57.2406 39.3236 175.3611 67 G 3.7578 7.8833 108.7281 45.8012 0.0000 174.1799 68 K 4.0486 8.4332 119.8106 56.7475 32.8551 175.5003 69 T 4.6548 8.0996 114.9330 59.6402 71.4876 174.8670 70 H 4.1104 8.8961 121.2334 58.6392 29.9501 174.4869 71 G 4.0136 7.3520 104.9820 44.5469 0.0000 171.6791 72 G 3.8742 8.4410 107.6881 43.8398 0.0000 172.0161 73 P 4.1920 0.0000 0.0000 65.8211 31.3924 178.2982 74 K 4.3546 7.9517 114.7194 56.8920 32.1936 178.3542 75 S 5.0075 7.8860 113.3707 59.4606 63.1928 174.6637 76 E 4.4463 7.5973 119.4530 56.2356 29.6993 176.3295 77 I 4.0148 7.3746 120.2182 60.8344 37.9270 175.9253 78 R 4.0350 8.4093 123.1051 56.2809 30.6698 176.1915 79 H 4.4002 8.6450 122.2928 54.8538 29.4174 175.7141 80 V 3.4766 8.0556 128.0686 65.8152 31.5657 177.3423 81 G 3.7077 7.9909 107.2366 46.7076 0.0000 172.5189 82 D 4.5329 7.7755 119.9729 54.0773 40.2749 175.0777 83 L 4.4830 8.1939 126.9681 54.2579 42.5558 179.3420 84 G 3.8361 8.3049 108.2585 45.6240 0.0000 172.6911 85 N 5.5915 8.4662 116.5570 51.6287 42.2976 174.2173 86 V 4.7697 8.9235 114.6454 59.6285 34.9882 174.6822 87 E 4.9934 8.7445 120.9051 55.4067 31.8993 174.7702 88 A 4.0437 8.9951 125.2632 54.4543 18.2818 178.8808 89 G 3.7206 8.0509 105.3915 44.1324 0.0000 175.1622 90 A 4.1643 7.5934 120.9379 53.1225 17.0713 176.5762 91 D 4.6135 8.3490 119.6655 53.5511 39.8096 175.0168 92 G 3.8383 8.2608 112.5073 46.0990 0.0000 173.4127 93 V 4.3086 8.4746 123.5759 61.1251 33.9748 173.8250 94 A 4.8421 8.6931 130.6699 50.7330 20.9376 176.4354 95 K 4.6940 8.6126 121.6003 55.6392 32.2883 175.6969 96 I 4.3249 9.0274 127.3040 59.7285 39.0881 175.3627 97 K 4.9047 8.5995 128.2991 55.4882 34.5319 174.8637 98 L 4.8994 9.4916 129.2486 53.1943 44.1264 177.4006 99 T 4.6865 8.8572 112.8147 61.3640 69.5312 173.9191 100 D 4.8990 8.0124 120.1113 53.3479 39.9391 175.7629 101 T 4.3397 7.8385 109.7410 61.7238 70.0505 174.0831 102 L 4.5473 8.1363 119.1989 54.3338 41.9182 177.2911 103 V 3.7513 7.4222 119.3323 63.3154 32.1251 175.2220 104 T 4.9500 8.2595 119.4708 60.7046 70.5059 173.5939 105 L 4.5483 9.4370 125.1891 54.5184 41.9548 176.0765 106 Y 4.6694 7.5724 115.5236 57.1619 41.9674 176.8406 107 G 3.9684 8.7240 110.8560 44.1239 0.0000 172.2058 108 P 4.3654 0.0000 0.0000 65.1795 31.3940 176.6836 109 N 4.9926 8.0468 114.8097 53.0134 38.7352 174.6614 110 T 4.1059 7.5637 113.1354 63.0325 67.7874 174.2776 111 V 3.6953 8.3051 119.7241 60.9522 32.1438 176.3392 112 V 3.6273 7.2385 121.3580 64.3201 31.5177 176.3312 113 G 3.9394 9.4032 116.0776 45.4235 0.0000 173.5629 114 R 4.6071 7.5912 119.4111 55.1121 32.4464 175.0151 115 S 5.1923 7.9438 111.6243 57.6849 66.9785 172.8073 116 M 5.0228 8.7404 120.5977 53.7760 34.5887 175.2823 117 V 4.9554 8.9408 122.4689 61.2101 35.5038 174.0278 118 V 4.9122 8.7523 127.7008 61.9760 33.5954 173.9463 119 H 5.4098 9.3534 125.3066 53.6515 30.9099 173.8903 120 A 3.7690 8.9283 127.0649 53.9066 18.1210 175.8201 121 G 3.8045 9.6686 118.5938 45.8029 0.0000 172.9707 *139 T 4.0310 7.4134 115.5167 62.4417 70.3853 174.0308 140 G 3.9589 7.6611 111.9581 45.8055 0.0000 173.1376 141 N 4.4876 8.8884 115.1760 54.8529 38.8903 175.8797 142 A 4.3963 8.0467 120.8552 51.2750 20.1440 178.0737 143 G 3.6210 7.4250 106.0809 47.4385 0.0000 175.0737 144 A 4.5419 8.4735 126.5694 51.6174 20.0247 176.3202 145 R 4.2568 8.0976 116.5886 56.7579 29.7347 176.4012 146 A 4.6227 9.0106 126.3645 52.9560 21.0178 176.4185 147 A 4.8425 7.7073 114.6044 51.6276 22.6617 174.2622 148 C 5.3440 8.9461 113.3259 54.8083 46.7708 173.1144 149 G 4.6843 8.7243 105.8222 45.2437 0.0000 172.5298 150 V 4.2250 8.2879 122.6677 62.5213 33.3006 175.2550 151 I 4.1355 8.8989 129.0614 61.1143 37.5541 174.6850 152 A 4.8835 8.5940 130.0605 49.5914 21.5455 175.7777 153 L 4.2916 8.4656 122.4107 55.3129 42.8219 175.8660 154 A 5.0048 8.3041 125.7952 49.4185 22.7010 175.6126 155 A 4.0729 8.6844 121.8651 51.6860 18.9751 176.3568 156 P 4.6530 0.0000 0.0000 62.5654 32.2232 176.6735 157 Q 4.2343 8.9175 118.0899 56.3700 28.5515 175.4580 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 S 8.32 4.40 0.00 3.85 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 2 N 8.52 4.86 0.00 3.27 3.17 0.00 0.00 5.73 6.77 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 3 R 8.77 5.35 0.00 1.99 2.05 0.00 3.25 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 4 A 9.27 5.24 1.19 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 0.00 0.00 5 V 8.65 4.50 0.67 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 0.35 0.00 0.00 -0.40 0.00 0.00 6 A 8.81 5.19 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.14 4.39 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 0.94 0.00 0.00 0.80 0.00 0.00 8 L 8.78 4.48 0.00 1.68 1.57 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.68 4.66 0.00 1.68 1.75 0.00 3.13 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 10 G 8.27 4.17 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 0.00 11 E 9.12 4.28 0.00 1.96 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 2.30 2.24 0.00 12 T 7.74 4.42 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 1.20 0.00 0.00 13 V 7.68 4.48 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 0.83 0.00 0.00 0.89 0.00 0.00 14 T 8.81 4.87 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 1.19 0.00 0.00 15 G 7.57 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 0.00 0.00 0.00 16 T 8.26 5.10 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 17 I 8.73 4.89 1.93 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 1.24 1.10 0.00 0.00 18 W 9.51 5.11 0.00 3.44 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 19 I 9.10 5.13 1.91 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 1.27 0.83 0.96 0.00 0.00 20 T 8.94 5.15 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 21 Q 8.94 4.69 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.99 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 22 K 9.09 4.19 0.00 2.01 1.87 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.46 7.81 23 S 7.44 4.10 0.00 3.73 3.82 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 24 E 7.75 3.47 0.00 1.99 1.78 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 2.06 2.22 0.00 25 N 7.51 4.61 0.00 2.62 2.86 0.00 0.00 6.95 7.91 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 26 D 7.46 4.85 0.00 2.79 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 27 Q 8.38 4.16 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 28 A 8.47 4.56 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 29 V 8.89 4.56 2.13 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 1.10 0.00 0.00 0.97 0.00 0.00 30 I 8.71 5.01 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 1.16 0.53 1.06 0.00 0.00 31 E 9.42 5.12 0.00 2.05 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 2.27 2.53 0.00 32 G 7.97 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 33 E 8.04 5.81 0.00 1.90 1.78 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 2.23 2.15 0.00 34 I 8.28 4.91 1.73 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.58 0.83 0.00 0.00 35 K 9.34 4.73 0.00 1.60 1.65 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.34 7.81 36 G 8.84 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 37 L 7.46 4.17 0.00 1.61 1.52 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.13 4.12 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 1.21 0.00 0.00 39 P 0.00 4.26 0.00 2.07 2.03 0.00 3.67 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 2.03 2.09 0.00 40 G 8.60 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 41 L 8.06 4.70 0.00 1.50 1.58 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 42 H 9.18 4.88 0.00 3.02 3.34 0.00 5.62 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 43 G 8.82 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 0.00 0.00 0.00 44 F 8.97 5.82 0.00 2.98 2.85 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 45 H 9.19 5.28 0.00 3.22 3.06 0.00 5.66 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 46 V 8.72 4.30 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 0.86 0.00 0.00 0.81 0.00 0.00 47 H 8.99 5.33 0.00 3.06 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.85 3.82 0.00 1.28 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 49 Y 8.15 4.95 0.00 3.23 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 50 G 8.59 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 51 D 8.04 4.32 0.00 2.60 2.85 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 52 S 8.38 4.97 0.00 3.96 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 53 T 8.49 3.98 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 1.24 0.00 0.00 54 N 8.14 4.96 0.00 2.74 2.67 0.00 0.00 7.00 8.36 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 55 G 7.55 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 56 C 8.55 4.59 0.00 2.96 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.84 3.75 2.03 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 1.69 1.14 0.92 0.00 0.00 58 S 7.93 4.45 0.00 4.13 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 59 A 7.27 4.71 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 60 G 8.11 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 0.00 0.00 0.00 0.00 61 P 0.00 4.67 0.00 2.07 1.98 0.00 3.73 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 2.12 2.15 0.00 62 H 8.60 4.04 0.00 2.98 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.24 4.46 0.00 2.79 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.70 4.64 0.00 2.33 2.39 0.00 0.00 6.89 7.71 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 65 P 0.00 4.02 0.00 1.82 1.58 0.00 2.79 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.80 0.00 66 F 7.60 4.73 0.00 2.94 2.91 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 67 G 7.88 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 68 K 8.43 4.05 0.00 1.82 1.84 0.00 1.87 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 69 T 8.10 4.65 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 1.27 0.00 0.00 70 H 8.90 4.11 0.00 3.11 3.39 0.00 5.87 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 71 G 7.35 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 0.00 0.00 0.00 72 G 8.44 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 73 P 0.00 4.19 0.00 2.18 2.12 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 74 K 7.95 4.35 0.00 1.82 1.83 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.41 7.81 75 S 7.89 5.01 0.00 4.03 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 76 E 7.60 4.45 0.00 1.96 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 2.27 2.25 0.00 77 I 7.37 4.01 2.02 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 1.39 0.46 1.06 0.00 0.00 78 R 8.41 4.03 0.00 1.94 1.92 0.00 3.23 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 79 H 8.65 4.40 0.00 3.16 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.06 3.48 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.21 0.00 0.00 81 G 7.99 3.71 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 0.00 0.00 0.00 82 D 7.78 4.53 0.00 2.35 2.69 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 83 L 8.19 4.48 0.00 1.58 1.60 0.11 0.73 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 84 G 8.30 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 85 N 8.47 5.59 0.00 2.64 2.71 0.00 0.00 6.64 7.68 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 86 V 8.92 4.77 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.85 0.00 0.00 87 E 8.74 4.99 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 88 A 9.00 4.04 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 89 G 8.05 3.72 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 0.00 0.00 0.00 90 A 7.59 4.16 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 91 D 8.35 4.61 0.00 2.80 2.76 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 92 G 8.26 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 93 V 8.47 4.31 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 1.05 0.00 0.00 0.93 0.00 0.00 94 A 8.69 4.84 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.61 4.69 0.00 1.63 1.81 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.53 7.81 96 I 9.03 4.32 1.98 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.81 1.01 0.00 0.00 97 K 8.60 4.90 0.00 1.74 1.69 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.51 7.81 98 L 9.49 4.90 0.00 1.62 1.59 1.14 0.53 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 99 T 8.86 4.69 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 1.24 0.00 0.00 100 D 8.01 4.90 0.00 2.77 2.74 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 0.00 101 T 7.84 4.34 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 0.00 102 L 8.14 4.55 0.00 1.66 1.76 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.42 3.75 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 0.72 0.00 0.00 0.93 0.00 0.00 104 T 8.26 4.95 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 1.41 0.00 0.00 105 L 9.44 4.55 0.00 1.14 1.31 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 7.57 4.67 0.00 2.93 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 0.00 107 G 8.72 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 0.00 108 P 0.00 4.37 0.00 2.26 2.26 0.00 3.83 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 2.08 2.05 0.00 109 N 8.05 4.99 0.00 2.82 2.95 0.00 0.00 6.84 7.54 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 0.00 110 T 7.56 4.11 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 111 V 8.31 3.70 1.83 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 0.40 0.00 0.00 0.89 0.00 0.00 112 V 7.24 3.63 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 0.67 0.00 0.00 0.82 0.00 0.00 113 G 9.40 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 0.00 114 R 7.59 4.61 0.00 1.68 1.84 0.00 2.21 0.00 0.00 2.42 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.38 0.00 115 S 7.94 5.19 0.00 3.78 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 0.00 116 M 8.74 5.02 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.26 0.00 117 V 8.94 4.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.78 0.00 0.00 118 V 8.75 4.91 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 0.82 0.00 0.00 0.93 0.00 0.00 119 H 9.35 5.41 0.00 3.15 3.28 0.00 5.68 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 0.00 120 A 8.93 3.77 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 0.00 121 G 9.67 3.80 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 0.00 0.00 0.00 *139 T 7.41 4.03 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 140 G 7.66 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 0.00 141 N 8.89 4.49 0.00 2.73 2.88 0.00 0.00 6.73 7.35 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 0.00 142 A 8.05 4.40 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 0.00 143 G 7.42 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.47 4.54 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 0.00 145 R 8.10 4.26 0.00 1.74 1.80 0.00 3.10 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.63 0.00 146 A 9.01 4.62 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 0.00 147 A 7.71 4.84 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 C 8.95 5.34 0.00 2.97 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 0.00 149 G 8.72 4.68 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 0.00 0.00 0.00 150 V 8.29 4.23 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 0.98 0.00 0.00 0.95 0.00 0.00 151 I 8.90 4.14 1.92 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 1.08 0.28 0.82 0.00 0.00 152 A 8.59 4.88 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.47 4.29 0.00 1.62 1.56 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 154 A 8.30 5.00 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 0.00 155 A 8.68 4.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.65 0.00 2.08 2.09 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 157 Q 8.92 4.23 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.