NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1138 8.2549 119.6969 56.1902 31.3027 175.4787 3 N 4.5616 7.9410 118.5264 51.6845 37.7983 172.9145 4 Y 4.2321 8.9835 121.8144 60.0522 39.7161 176.4328 5 I 4.0260 7.7853 120.7557 61.2516 37.5985 175.5994 6 Q 4.3262 9.6070 123.8526 54.9582 29.8394 175.7908 7 G 4.0224 7.3352 104.4502 44.6395 0.0000 171.2038 8 I 4.0171 7.6185 120.9405 60.6103 37.4157 175.7884 9 D 4.5971 8.7813 126.1044 57.2920 42.1657 175.1449 10 H 4.6916 7.4803 109.9468 55.0402 31.3638 173.0199 11 V 4.3727 8.0748 111.9780 59.5112 34.6579 174.7999 12 Q 4.8850 8.6288 125.8991 54.7753 30.1931 174.4808 13 V 4.5372 8.8394 127.1247 61.2028 33.7615 174.8710 14 A 5.0887 8.7657 128.8048 51.7144 20.4729 175.7544 15 A 2.9290 7.9132 119.1585 49.5875 22.8856 174.4476 16 P 4.7478 0.0000 0.0000 61.6890 33.2977 175.9589 17 V 3.4381 8.1287 119.9215 64.6919 32.0619 176.1125 18 G 3.9637 8.9255 113.8980 46.1618 0.0000 174.4492 19 C 4.4499 7.6487 114.9106 59.7107 29.6701 175.4354 20 E 4.0720 7.7754 121.3287 59.4879 28.9520 178.6324 21 E 4.0027 8.2119 118.7094 59.5645 29.9413 178.5736 22 E 4.0243 8.4016 117.8781 59.3091 29.5638 179.1539 23 A 4.4677 8.9048 121.3031 55.4822 18.5566 179.9359 24 R 4.2915 8.5902 116.4981 59.4892 30.1952 179.0750 25 A 4.0290 8.5492 120.9726 54.8463 18.2343 179.1186 26 F 4.0639 8.1435 118.6178 61.2203 39.6883 177.6341 27 Y 3.7604 8.5147 116.8052 60.6036 37.4856 178.2253 28 G 3.7868 7.7026 106.1539 47.2547 0.0000 175.7311 29 E 3.9336 8.2610 121.3631 58.9893 29.8253 179.5482 30 T 3.8682 7.5133 114.3682 66.3731 68.7015 175.9153 31 I 3.6964 7.3597 111.6991 60.6045 38.3141 173.5523 32 G 3.6731 7.0372 109.9262 44.6373 0.0000 172.0011 *34 E 4.1968 8.2724 126.0025 55.1727 31.0836 174.4150 35 E 4.2582 9.1869 128.4525 56.4479 30.4739 175.6762 36 I 4.7026 8.1680 127.7545 58.5495 39.6859 173.9971 37 P 4.2031 0.0000 0.0000 62.3818 31.9822 176.4184 38 K 2.9730 7.7318 120.0297 54.5533 33.0253 175.1794 39 P 4.1344 0.0000 0.0000 62.8772 32.2390 176.9832 40 E 3.8229 8.9367 122.2740 59.8362 29.1934 179.1665 41 E 4.1266 8.0840 115.7828 58.0089 30.0691 177.8142 42 L 4.5093 7.5928 117.9219 54.0281 42.2631 177.7989 43 K 3.6786 7.5495 120.0965 59.5848 32.1920 177.8458 44 K 4.1058 7.8521 115.6521 58.6792 32.1535 178.1259 45 R 3.9146 7.6979 116.8000 56.5832 30.1882 177.5610 46 G 3.7197 8.0642 105.7109 44.9242 0.0000 172.6706 47 G 3.9352 10.5706 105.8268 44.8134 0.0000 171.9391 48 C 4.7431 8.5534 111.4865 56.7146 33.4670 173.0504 49 W 5.4252 8.2959 118.5543 55.0503 32.4144 174.6253 50 F 5.2528 9.1546 121.1280 55.5791 42.9297 173.8202 51 K 4.7802 9.4132 124.8791 55.9486 33.2014 176.3540 52 C 4.6919 9.0730 122.1733 56.7520 31.3038 174.3360 53 G 3.9178 8.3877 118.8241 47.4231 0.0000 172.6940 54 N 4.6494 8.9126 121.9449 53.6916 38.8183 173.8910 55 Q 4.9575 8.3147 118.5508 54.1544 32.6287 173.9079 56 E 5.2604 8.5711 117.4457 54.8551 34.4194 174.8158 57 I 4.6834 8.8786 121.6944 59.6396 41.0628 173.7501 58 H 4.9859 9.1498 126.8492 54.1148 31.2471 173.5426 59 I 4.6182 9.5365 126.3718 60.3817 38.3931 175.0482 60 G 4.4452 8.9115 115.6356 44.1080 0.0000 172.1933 61 V 4.2603 8.3490 124.6017 62.7043 32.6519 175.0866 62 E 4.6004 9.4736 126.7424 54.6030 32.5569 176.4844 63 Q 4.0141 9.1731 126.4293 58.6697 29.4598 176.1918 64 N 4.9600 7.7939 114.3968 52.2453 39.2458 175.0093 65 F 4.2758 7.8418 120.1519 58.7480 39.9498 173.5714 66 N 4.3888 8.0275 125.4532 50.4151 40.9173 172.0852 67 P 4.1066 0.0000 0.0000 62.7015 32.0968 176.4290 68 A 4.4169 9.0018 124.3481 51.0626 17.7865 177.9205 69 K 4.1900 8.2762 120.1921 58.0898 32.2743 177.1208 70 R 4.3166 7.0533 114.1607 57.0405 33.4291 175.2440 71 A 4.0937 7.6851 122.8418 52.8696 19.2861 176.3117 72 H 4.7349 7.9182 115.9745 53.7813 31.2390 171.4799 73 P 4.4332 0.0000 0.0000 62.4003 32.9321 174.7271 74 A 4.9171 7.9875 122.7573 50.2453 21.3110 175.2278 75 F 4.7942 8.9132 122.2330 56.0558 41.3769 174.6852 76 Y 4.2019 8.7867 124.8603 56.9614 39.6006 174.5912 77 V 4.2365 7.3960 125.5207 60.6346 34.0431 174.8066 78 L 4.3520 8.3934 126.7279 54.8820 42.6504 176.6342 79 K 3.8850 9.0529 122.9991 57.2458 30.4290 176.7851 80 I 3.8436 8.3270 120.5874 64.2243 38.1267 175.5798 81 D 4.3722 8.2879 119.5155 57.0615 38.9082 178.5910 82 E 3.9447 8.1308 120.8985 58.0941 29.8213 178.3017 83 F 4.2015 8.2911 120.8860 61.1797 39.4564 176.8636 84 K 3.3507 8.5917 119.4846 59.6991 31.8940 178.7917 85 Q 3.8850 7.8565 117.5551 58.6461 28.3322 178.5236 86 E 3.8923 7.8956 119.9260 58.9819 29.4352 179.3041 87 L 3.8257 7.4157 119.0839 57.5372 41.6034 179.3529 88 I 3.6736 7.6128 119.7948 64.3753 36.8582 178.0838 89 K 3.6238 7.6967 119.3479 59.6874 31.9535 176.9360 90 Q 4.2351 7.4977 113.5338 55.6296 28.4953 176.5177 91 G 3.8771 8.6770 106.1959 45.7124 0.0000 173.9904 92 I 3.9855 7.3672 120.7849 60.5352 37.6506 175.6267 93 E 4.2274 8.7208 125.2559 56.0820 30.0851 176.2993 94 V 4.7941 8.2089 116.5889 59.5888 34.8224 175.4131 95 I 4.4934 8.8577 125.2948 59.4963 39.3041 175.1198 96 D 4.8361 8.7242 126.9110 54.3338 41.8556 175.7038 97 D 4.6015 8.3612 119.9176 52.9835 43.8618 174.8019 98 H 4.8257 8.8826 121.0954 55.5838 29.4553 175.1268 99 A 4.0366 8.5767 124.9624 53.8483 18.5346 178.0648 100 R 4.4487 7.7632 116.4078 54.0259 30.0760 174.3075 101 P 4.4926 0.0000 0.0000 64.3921 32.0874 177.1044 102 D 4.5937 8.0142 117.9157 54.3829 40.0665 175.6309 103 V 4.8556 7.4435 119.3480 61.3494 34.6060 174.4258 104 I 4.5638 8.4550 128.6311 60.3242 38.5948 175.1827 105 R 4.8543 8.3003 120.5665 55.9589 32.4575 173.1376 106 F 4.9112 8.3689 113.8627 56.3552 41.6463 172.3579 107 Y 5.4539 9.0516 117.3384 56.6030 41.1906 175.3083 108 V 5.0720 8.9767 114.1452 60.0367 36.7247 174.3812 109 S 5.2630 8.5464 117.7402 56.8832 64.9341 174.5732 110 D 3.3700 8.7581 124.3030 51.3249 40.3016 175.2344 111 P 3.9243 0.0000 0.0000 64.4192 31.0218 177.2826 112 F 4.7725 8.3331 115.7331 57.0621 39.4838 176.4712 113 G 4.0207 8.1881 109.5494 44.8728 0.0000 173.4927 114 N 4.8468 8.2964 118.0621 52.8671 39.7782 174.4705 115 R 4.5844 8.9160 125.3395 56.4798 31.0296 175.7313 116 I 4.7976 8.9224 126.0697 59.4883 41.4613 173.7640 117 E 5.0147 8.8025 126.6290 54.4754 32.3285 174.7173 118 F 5.5976 8.2370 124.0312 54.6608 42.6688 173.8900 *120 E 3.3839 8.4284 119.9644 55.5823 30.8413 174.7139 121 N 4.7441 8.8432 123.5252 53.3728 39.3094 175.2531 122 K 4.2187 8.6782 122.4777 56.4313 33.1104 177.1402 123 N 4.5376 8.6357 119.6417 53.6663 38.6652 175.1931 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 R 8.25 4.11 0.00 0.88 1.48 0.00 3.04 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 3 N 7.94 4.56 0.00 2.67 2.71 0.00 0.00 6.98 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.98 4.23 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.79 4.03 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 1.44 0.53 0.94 0.00 0.00 6 Q 9.61 4.33 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.19 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 7 G 7.34 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 8 I 7.62 4.02 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.54 0.87 0.00 0.00 9 D 8.78 4.60 0.00 2.78 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 7.48 4.69 0.00 2.93 2.94 0.00 5.52 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 11 V 8.07 4.37 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 0.61 0.00 0.00 0.97 0.00 0.00 12 Q 8.63 4.88 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 13 V 8.84 4.54 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 1.05 0.00 0.00 14 A 8.77 5.09 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 15 A 7.91 2.93 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 16 P 0.00 4.75 0.00 2.06 2.19 0.00 2.43 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 17 V 8.13 3.44 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 0.78 0.00 0.00 0.92 0.00 0.00 18 G 8.93 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 19 C 7.65 4.45 0.00 2.52 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 20 E 7.78 4.07 0.00 2.23 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 0.00 2.34 2.39 0.00 21 E 8.21 4.00 0.00 2.10 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 2.43 2.45 0.00 22 E 8.40 4.02 0.00 2.44 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 23 A 8.90 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.59 4.29 0.00 2.17 2.21 0.00 3.23 0.00 0.00 3.69 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 25 A 8.55 4.03 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 26 F 8.14 4.06 0.00 2.98 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 27 Y 8.51 3.76 0.00 2.11 1.93 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 28 G 7.70 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 29 E 8.26 3.93 0.00 2.16 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 2.38 2.51 0.00 30 T 7.51 3.87 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 0.94 0.00 0.00 31 I 7.36 3.70 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.45 0.18 0.00 0.00 32 G 7.04 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 *34 E 8.27 4.20 0.00 2.16 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 2.34 2.38 0.00 35 E 9.19 4.26 0.00 2.09 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 0.00 2.05 1.83 0.00 36 I 8.17 4.70 1.99 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 1.58 1.16 1.07 0.00 0.00 37 P 0.00 4.20 0.00 2.04 1.94 0.00 3.74 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 1.93 1.93 0.00 38 K 7.73 2.97 0.00 1.22 0.90 0.00 1.37 0.00 0.00 1.31 0.00 0.00 2.53 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.66 7.81 39 P 0.00 4.13 0.00 2.04 1.93 0.00 2.64 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 40 E 8.94 3.82 0.00 2.00 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 0.00 2.34 2.44 0.00 41 E 8.08 4.13 0.00 1.95 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 2.33 0.00 42 L 7.59 4.51 0.00 1.59 1.57 1.09 0.34 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 43 K 7.55 3.68 0.00 1.72 1.78 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.40 7.81 44 K 7.85 4.11 0.00 1.75 1.83 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.38 7.81 45 R 7.70 3.91 0.00 2.01 1.99 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 46 G 8.06 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 47 G 10.57 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 48 C 8.55 4.74 0.00 2.63 2.97 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 49 W 8.30 5.43 0.00 3.23 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 50 F 9.15 5.25 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 9.41 4.78 0.00 1.80 1.80 0.00 1.79 0.00 0.00 1.93 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.45 7.81 52 C 9.07 4.69 0.00 3.22 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 8.39 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 54 N 8.91 4.65 0.00 2.74 2.87 0.00 0.00 6.58 7.69 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 55 Q 8.31 4.96 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 56 E 8.57 5.26 0.00 1.71 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 0.00 2.26 2.23 0.00 57 I 8.88 4.68 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.83 1.04 0.00 0.00 58 H 9.15 4.99 0.00 2.89 2.96 0.00 5.68 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 9.54 4.62 2.09 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.41 0.91 0.00 0.00 60 G 8.91 4.45 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 0.00 61 V 8.35 4.26 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 0.77 0.00 0.00 0.88 0.00 0.00 62 E 9.47 4.60 0.00 1.97 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 2.42 2.48 0.00 63 Q 9.17 4.01 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.56 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 64 N 7.79 4.96 0.00 2.77 2.82 0.00 0.00 6.82 7.45 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 65 F 7.84 4.28 0.00 2.98 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 66 N 8.03 4.39 0.00 2.48 2.46 0.00 0.00 7.16 7.69 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 67 P 0.00 4.11 0.00 2.31 2.40 0.00 3.51 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.04 0.00 68 A 9.00 4.42 1.37 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 0.00 0.00 0.00 69 K 8.28 4.19 0.00 1.72 1.83 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.41 7.81 70 R 7.05 4.32 0.00 1.71 1.75 0.00 3.17 0.00 0.00 3.19 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 71 A 7.69 4.09 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 72 H 7.92 4.73 0.00 3.40 3.20 0.00 5.53 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 73 P 0.00 4.43 0.00 1.61 2.06 0.00 3.87 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 74 A 7.99 4.92 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 75 F 8.91 4.79 0.00 3.12 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 76 Y 8.79 4.20 0.00 3.04 2.92 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 77 V 7.40 4.24 1.90 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 0.46 0.00 0.00 0.62 0.00 0.00 78 L 8.39 4.35 0.00 1.68 1.61 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 79 K 9.05 3.88 0.00 2.01 1.85 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.64 7.81 80 I 8.33 3.84 1.87 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 1.93 1.16 1.03 0.00 0.00 81 D 8.29 4.37 0.00 2.91 2.95 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 0.00 0.00 0.00 0.00 82 E 8.13 3.94 0.00 2.07 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 0.00 2.39 2.36 0.00 83 F 8.29 4.20 0.00 3.03 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 84 K 8.59 3.35 0.00 1.59 1.75 0.00 0.84 0.00 0.00 1.03 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.98 0.39 7.81 85 Q 7.86 3.88 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 86 E 7.90 3.89 0.00 2.02 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 2.54 2.47 0.00 87 L 7.42 3.83 0.00 1.51 1.47 0.43 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.61 3.67 1.73 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 1.28 0.72 0.83 0.00 0.00 89 K 7.70 3.62 0.00 1.83 1.81 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.40 7.81 90 Q 7.50 4.24 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.78 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 91 G 8.68 3.88 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 0.00 0.00 0.00 92 I 7.37 3.99 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 1.03 0.00 0.00 93 E 8.72 4.23 0.00 1.98 1.90 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 2.31 2.27 0.00 94 V 8.21 4.79 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 0.49 0.00 0.00 0.67 0.00 0.00 95 I 8.86 4.49 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 1.07 0.00 0.00 96 D 8.72 4.84 0.00 2.58 2.48 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 0.00 97 D 8.36 4.60 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 H 8.88 4.83 0.00 3.18 3.28 0.00 5.75 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 99 A 8.58 4.04 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 0.00 100 R 7.76 4.45 0.00 1.85 1.84 0.00 3.20 0.00 0.00 3.41 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 101 P 0.00 4.49 0.00 2.24 2.18 0.00 3.83 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 102 D 8.01 4.59 0.00 2.87 2.97 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 0.00 103 V 7.44 4.86 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.03 0.00 0.00 104 I 8.45 4.56 1.89 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 1.31 0.72 0.98 0.00 0.00 105 R 8.30 4.85 0.00 1.80 1.89 0.00 3.10 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.00 106 F 8.37 4.91 0.00 3.20 3.17 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 0.00 107 Y 9.05 5.45 0.00 2.95 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 0.00 108 V 8.98 5.07 2.36 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 1.23 0.00 0.00 1.43 0.00 0.00 109 S 8.55 5.26 0.00 3.69 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 0.00 110 D 8.76 3.37 0.00 1.87 2.37 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 0.00 111 P 0.00 3.92 0.00 0.71 1.69 0.00 2.57 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 1.72 1.61 0.00 112 F 8.33 4.77 0.00 3.10 2.95 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 0.00 0.00 0.00 0.00 113 G 8.19 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 0.00 114 N 8.30 4.85 0.00 3.05 2.93 0.00 0.00 6.72 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 0.00 115 R 8.92 4.58 0.00 1.79 1.86 0.00 2.95 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.42 0.00 116 I 8.92 4.80 1.96 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 1.30 1.14 0.66 0.00 0.00 117 E 8.80 5.01 0.00 2.30 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 118 F 8.24 5.60 0.00 1.96 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 *120 E 8.43 3.38 0.00 1.86 1.72 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 2.26 2.12 0.00 121 N 8.84 4.74 0.00 2.83 2.83 0.00 0.00 7.02 7.77 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 0.00 122 K 8.68 4.22 0.00 1.67 1.76 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.45 7.81 123 N 8.64 4.54 0.00 2.71 2.74 0.00 0.00 6.82 7.56 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 * Residues marked with a * may have inaccurate shift predictions.