NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1965 8.3144 119.9994 56.6751 33.7815 177.9215 2 E 4.2934 8.6567 121.9849 52.3786 30.2351 173.3879 3 S 4.4364 9.2391 123.2520 58.0894 66.1760 174.5569 4 R 3.9275 8.6943 122.9797 59.7868 29.8996 179.0939 5 A 4.1794 8.0156 119.7098 55.2162 18.3351 179.6902 6 K 4.0602 7.9341 117.1404 59.2922 32.1916 179.5601 7 K 4.2508 8.1930 121.4353 58.9529 32.1016 178.7390 8 F 4.2171 8.5739 121.1744 61.2206 39.4216 177.2704 9 Q 4.0844 8.0975 117.4682 59.0340 28.3516 178.6349 10 R 3.9732 8.2904 119.0361 59.2184 30.2155 177.9815 11 Q 4.0902 8.3445 116.9157 57.3847 29.2612 176.1195 12 H 4.7262 7.9222 113.2114 53.6716 30.8993 172.4070 13 M 4.8953 7.6171 119.5365 53.9675 33.9910 176.5602 14 D 4.7772 8.7708 119.7508 53.6920 43.6289 175.7172 15 S 4.2646 8.2077 120.8230 61.8192 63.4810 176.4340 16 D 4.8595 7.9380 117.3411 54.7744 40.6591 175.8964 17 S 4.7483 7.6011 114.0785 57.3309 67.0024 175.2050 18 S 4.2773 7.7888 114.5124 55.9847 62.7015 171.4656 19 P 3.9643 0.0000 0.0000 62.4170 31.6557 176.0923 20 S 4.7216 8.0485 116.1075 56.1326 65.3413 173.6298 21 S 3.9939 8.9825 116.2225 61.3613 62.8154 175.7088 22 S 3.6483 8.2257 122.2849 59.4903 60.6025 170.3758 23 S 4.8036 7.4967 119.9097 57.9780 65.8636 175.7268 24 T 4.4819 8.3077 113.3207 62.3259 68.8216 174.9954 25 Y 4.1081 7.5364 122.6571 61.9980 38.7136 177.9619 26 C 4.1922 8.4883 116.8565 60.0244 38.5405 176.0271 27 N 4.3923 8.0283 117.6881 56.1376 38.2074 177.1632 28 L 3.8978 7.9548 120.3224 57.4576 41.7835 179.2843 29 M 3.6534 7.9490 119.0272 58.5956 31.7904 178.6274 30 M 3.6721 7.6940 118.7301 58.3753 31.8597 178.4691 31 C 4.3369 7.3881 119.8059 62.0142 31.7140 175.1400 32 C 3.9734 8.3195 119.7938 62.2642 31.2526 174.3051 33 R 4.3237 8.6253 117.5074 55.3392 29.8154 176.4047 34 K 3.8687 7.9134 115.8726 58.5560 29.8734 175.8108 35 M 4.6284 8.7949 115.4746 55.3956 33.0110 177.5794 36 T 4.6894 7.7416 108.1489 61.3919 69.3921 172.9141 37 Q 4.6049 8.2779 121.3296 56.6864 29.6802 175.0758 38 G 4.2337 10.2684 115.4288 45.6109 0.0000 173.6841 39 R 4.1892 7.1118 114.9156 54.4645 34.1241 174.9062 40 C 4.8036 8.5404 118.1898 55.2483 41.1361 173.9244 41 K 4.1910 8.6456 127.1145 55.9716 32.6949 174.5635 42 P 4.5739 0.0000 0.0000 65.4767 32.0278 176.5233 43 V 5.1875 7.5554 109.3643 60.1615 35.8322 173.9617 44 N 4.7509 8.8598 120.1601 52.9000 42.7860 173.1576 45 T 4.7303 7.8960 120.1121 61.5809 72.1884 172.8405 46 F 4.9139 8.6753 123.1655 55.5976 42.5742 174.3983 47 V 4.5085 9.0516 122.4922 61.2463 33.7056 175.1717 48 H 5.8639 8.7379 126.8111 53.6334 26.6765 173.3900 49 E 4.8958 7.8460 117.9000 53.7752 34.5122 174.4783 50 P 4.4432 0.0000 0.0000 62.1400 32.4669 177.1822 51 L 3.9937 8.9113 124.1711 58.7295 41.7651 179.9877 52 V 3.9325 7.7445 119.4484 64.5577 31.0527 177.8173 53 D 4.2766 8.0290 118.1121 57.0599 41.1514 178.4565 54 V 3.8052 8.1663 118.9831 65.9789 31.3552 178.1848 55 Q 3.9596 8.7201 118.4620 58.8781 28.5013 178.2095 56 N 4.5804 8.8828 117.7379 55.7596 38.4949 177.2747 57 V 3.5685 7.5547 119.5298 65.8965 31.2910 176.7706 58 C 3.5716 7.7376 114.6795 57.9120 39.7668 173.9874 59 F 4.7629 7.6247 119.2542 57.1262 40.0196 175.7398 60 Q 4.8124 7.4624 120.9551 55.3713 29.7232 175.5309 61 E 4.2078 8.2138 123.4170 57.0335 30.5025 177.5205 62 K 4.2346 8.7160 126.9155 56.8692 32.9954 176.4856 63 V 4.4191 7.7561 115.7332 60.5118 36.4999 174.0261 64 T 4.1359 8.2030 118.5298 63.0229 69.0686 176.1237 65 C 4.5369 8.5111 123.4861 56.4764 41.0605 173.7036 66 K 3.9687 8.9689 123.3320 59.8521 31.2516 176.5174 67 N 4.7817 7.3240 113.6353 53.6196 41.8306 175.4664 68 G 3.9822 7.8432 110.7406 45.0190 0.0000 171.8353 69 Q 3.8230 7.6983 117.5712 55.9066 29.3715 179.2814 70 G 4.9647 9.1025 127.0700 46.6703 0.0000 170.8348 71 N 4.0330 7.6060 119.7395 52.8707 35.2156 174.1036 72 C 5.4346 7.5825 118.1792 55.0238 42.3223 172.1526 73 Y 5.1049 8.6067 117.8261 56.1473 42.1292 174.0573 74 K 5.0954 9.0428 124.7273 54.2528 33.8920 176.1652 75 S 4.4170 8.7975 122.7373 59.0255 62.9169 174.6333 76 N 4.5410 9.5734 120.1921 55.5047 38.5748 175.1494 77 S 4.9948 7.6506 110.4263 55.8720 66.6449 173.8456 78 S 4.2341 8.3483 115.0782 58.3223 63.7763 173.4621 79 M 4.7709 9.0097 122.8897 53.4691 35.9822 174.8105 80 H 5.0770 9.4569 118.6605 55.8741 29.8060 174.9134 81 I 4.9355 8.7093 117.0342 59.3273 41.6938 174.6802 82 T 4.9007 8.5571 117.9059 62.4416 72.6054 173.1559 83 D 4.9694 9.4014 128.0768 53.5075 42.6526 174.9476 84 C 5.2777 9.0730 122.2673 55.5489 40.5133 172.7842 85 R 5.1673 9.2572 124.7334 53.9821 32.8119 174.3862 86 L 4.0849 8.6482 129.2639 55.0122 42.7429 176.8922 87 T 4.1359 8.7471 117.2588 61.2074 69.5607 175.2869 88 N 4.2150 8.8974 121.3627 56.2029 38.6698 176.0004 89 G 3.9663 7.3032 105.3330 45.0627 0.0000 173.2559 90 S 4.2430 7.9804 115.5020 57.5717 62.7637 173.7048 91 R 4.6965 8.1600 126.0586 54.1000 32.8605 175.0800 92 Y 4.2125 8.4217 122.4246 56.8908 39.4569 174.1691 93 P 2.9700 0.0000 0.0000 64.1279 31.8490 176.5578 94 N 4.5368 7.5678 116.8847 50.9294 36.0296 173.8895 95 C 4.1904 8.3254 122.8348 57.6767 40.1736 172.9689 96 A 5.0323 8.3929 126.0976 50.3346 21.0263 174.6178 97 Y 5.1659 10.0585 121.1516 56.2868 41.6995 175.2224 98 R 4.5143 10.6400 122.3487 55.4768 32.1651 175.1789 99 T 4.7417 8.5767 123.4811 62.7731 70.2881 173.7142 100 S 5.0399 9.2256 122.7992 55.5927 64.1300 171.2268 101 P 5.0412 0.0000 0.0000 62.5052 32.7383 175.3909 102 K 4.3145 8.0886 119.2142 57.0715 36.6897 172.6904 103 E 5.2392 8.9013 119.2137 54.8738 31.7104 176.1439 104 R 4.8850 8.8620 122.2014 54.8644 35.6841 173.8815 105 H 4.9822 9.4187 119.0263 55.4835 30.1793 174.6824 106 I 4.7949 8.2532 116.3673 59.4795 40.4246 174.3510 107 I 4.8741 8.4021 125.2155 59.7318 39.7285 175.1034 108 V 4.8218 8.3539 118.9780 59.3424 36.0025 174.6735 109 A 4.7751 8.8626 126.5956 51.7788 19.8270 175.7979 110 C 5.0047 8.3217 118.8609 55.4835 42.2071 173.3782 111 G 3.9389 8.6632 107.3819 46.5168 0.0000 174.2458 112 G 4.3490 8.7973 109.3602 44.6372 0.0000 172.2504 113 S 4.7975 8.3094 112.1539 55.5920 65.6664 172.1803 114 P 4.3867 0.0000 0.0000 62.5973 31.6064 175.3601 115 Y 4.5929 8.5010 120.6009 57.7559 39.0907 174.5152 116 V 4.3542 7.7912 119.6012 59.0510 36.6287 172.8723 117 P 4.4858 0.0000 0.0000 62.7525 31.1804 177.1056 118 V 4.3290 8.3904 115.3293 61.6310 34.3768 175.7254 119 H 5.1995 7.7513 116.0994 54.2182 33.4892 172.2151 120 F 4.6642 9.0583 124.8363 57.6192 39.3784 174.3933 121 D 4.6085 8.1599 126.3125 55.9015 42.4147 175.5493 122 A 4.4806 6.3434 116.9197 52.0072 22.9143 174.6458 123 S 5.1444 8.7525 110.5852 57.1065 65.8284 173.7718 124 V 4.4778 9.1313 124.0992 62.2586 35.6077 175.0086 125 E 4.2223 8.8782 123.0792 56.6452 28.7467 174.9361 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 K 8.31 4.20 0.00 1.87 1.16 0.00 1.43 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.51 7.81 2 E 8.66 4.29 0.00 2.11 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 2.32 2.38 0.00 3 S 9.24 4.44 0.00 4.10 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 4 R 8.69 3.93 0.00 1.86 2.00 0.00 3.15 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 5 A 8.02 4.18 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 6 K 7.93 4.06 0.00 1.97 1.90 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.61 7.81 7 K 8.19 4.25 0.00 2.01 2.02 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.32 7.81 8 F 8.57 4.22 0.00 3.26 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 9 Q 8.10 4.08 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 10 R 8.29 3.97 0.00 1.78 2.09 0.00 3.43 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 11 Q 8.34 4.09 0.00 1.69 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.49 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 12 H 7.92 4.73 0.00 2.13 2.74 0.00 5.60 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 13 M 7.62 4.90 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.73 0.00 14 D 8.77 4.78 0.00 2.67 2.60 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 15 S 8.21 4.26 0.00 3.96 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 16 D 7.94 4.86 0.00 2.67 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 17 S 7.60 4.75 0.00 3.73 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 18 S 7.79 4.28 0.00 3.62 3.58 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 0.00 19 P 0.00 3.96 0.00 1.54 0.77 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.44 0.00 20 S 8.05 4.72 0.00 3.81 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 21 S 8.98 3.99 0.00 3.82 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 22 S 8.23 3.65 0.00 3.99 4.16 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 23 S 7.50 4.80 0.00 4.08 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 24 T 8.31 4.48 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 1.23 0.00 0.00 25 Y 7.54 4.11 0.00 3.15 3.05 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 0.00 0.00 0.00 0.00 26 C 8.49 4.19 0.00 3.14 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 27 N 8.03 4.39 0.00 2.90 2.91 0.00 0.00 7.17 6.74 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 28 L 7.95 3.90 0.00 1.54 1.60 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.95 3.65 0.00 0.94 1.21 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.49 0.00 30 M 7.69 3.67 0.00 1.75 1.86 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 2.37 0.00 31 C 7.39 4.34 0.00 3.05 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 32 C 8.32 3.97 0.00 2.84 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 33 R 8.63 4.32 0.00 1.92 2.09 0.00 3.54 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 34 K 7.91 3.87 0.00 1.88 1.88 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.53 7.81 35 M 8.79 4.63 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.38 0.00 36 T 7.74 4.69 4.39 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 1.40 0.00 0.00 37 Q 8.28 4.60 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.84 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 38 G 10.27 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 0.00 0.00 0.00 0.00 39 R 7.11 4.19 0.00 1.68 1.70 0.00 3.14 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.49 0.00 40 C 8.54 4.80 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 41 K 8.65 4.19 0.00 1.91 1.79 0.00 1.76 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.43 7.81 42 P 0.00 4.57 0.00 2.14 2.10 0.00 3.64 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 2.13 2.14 0.00 43 V 7.56 5.19 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 0.70 0.00 0.00 0.95 0.00 0.00 44 N 8.86 4.75 0.00 2.62 2.28 0.00 0.00 7.07 6.61 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 45 T 7.90 4.73 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 0.70 0.00 0.00 46 F 8.68 4.91 0.00 3.07 2.94 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 47 V 9.05 4.51 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 1.14 0.00 0.00 1.09 0.00 0.00 48 H 8.74 5.86 0.00 3.06 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.85 4.90 0.00 1.85 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 2.26 2.32 0.00 50 P 0.00 4.44 0.00 2.21 1.99 0.00 3.84 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 2.22 2.10 0.00 51 L 8.91 3.99 0.00 1.81 1.75 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.74 3.93 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 1.15 0.00 0.00 0.96 0.00 0.00 53 D 8.03 4.28 0.00 2.80 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 54 V 8.17 3.81 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 1.24 0.00 0.00 1.10 0.00 0.00 55 Q 8.72 3.96 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 56 N 8.88 4.58 0.00 2.89 2.96 0.00 0.00 6.63 7.75 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 57 V 7.55 3.57 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 1.04 0.00 0.00 0.98 0.00 0.00 58 C 7.74 3.57 0.00 2.11 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 0.00 0.00 0.00 59 F 7.62 4.76 0.00 3.00 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 60 Q 7.46 4.81 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 61 E 8.21 4.21 0.00 2.06 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 2.30 0.00 62 K 8.72 4.23 0.00 1.56 1.42 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.50 7.81 63 V 7.76 4.42 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 0.55 0.00 0.00 0.82 0.00 0.00 64 T 8.20 4.14 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 1.17 0.00 0.00 65 C 8.51 4.54 0.00 2.91 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 66 K 8.97 3.97 0.00 1.84 1.96 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.95 1.44 7.81 67 N 7.32 4.78 0.00 2.64 2.70 0.00 0.00 6.84 7.65 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 68 G 7.84 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 69 Q 7.70 3.82 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.88 0.00 0.00 0.00 0.00 0.00 2.33 2.71 0.00 70 G 9.10 4.96 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 71 N 7.61 4.03 0.00 3.06 3.20 0.00 0.00 6.77 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 72 C 7.58 5.43 0.00 2.80 2.79 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 73 Y 8.61 5.10 0.00 2.86 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 74 K 9.04 5.10 0.00 1.66 1.67 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.36 7.81 75 S 8.80 4.42 0.00 3.92 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 76 N 9.57 4.54 0.00 2.79 2.96 0.00 0.00 6.73 7.18 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 77 S 7.65 4.99 0.00 3.80 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 78 S 8.35 4.23 0.00 3.81 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 79 M 9.01 4.77 0.00 2.08 2.01 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 2.66 2.48 0.00 80 H 9.46 5.08 0.00 3.34 3.34 0.00 5.75 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.71 4.94 1.92 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 1.38 0.88 0.98 0.00 0.00 82 T 8.56 4.90 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 1.36 0.00 0.00 83 D 9.40 4.97 0.00 2.69 2.61 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 0.00 0.00 0.00 0.00 84 C 9.07 5.28 0.00 2.87 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 85 R 9.26 5.17 0.00 1.87 1.80 0.00 3.13 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 86 L 8.65 4.08 0.00 1.84 1.46 -0.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.75 4.14 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 1.22 0.00 0.00 88 N 8.90 4.22 0.00 2.70 2.94 0.00 0.00 6.86 7.65 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 89 G 7.30 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 90 S 7.98 4.24 0.00 3.83 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 91 R 8.16 4.70 0.00 1.79 1.81 0.00 3.43 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 92 Y 8.42 4.21 0.00 2.90 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 93 P 0.00 2.97 0.00 1.81 1.55 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 94 N 7.57 4.54 0.00 2.78 2.83 0.00 0.00 6.06 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 95 C 8.33 4.19 0.00 3.16 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 96 A 8.39 5.03 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 97 Y 10.06 5.17 0.00 2.85 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 98 R 10.64 4.51 0.00 2.08 1.86 0.00 3.16 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 99 T 8.58 4.74 4.33 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 1.32 0.00 0.00 100 S 9.23 5.04 0.00 3.88 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 0.00 101 P 0.00 5.04 0.00 2.09 1.97 0.00 3.87 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 102 K 8.09 4.31 0.00 1.80 1.96 0.00 1.48 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.46 7.81 103 E 8.90 5.24 0.00 1.84 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 2.25 2.34 0.00 104 R 8.86 4.89 0.00 1.76 2.00 0.00 3.32 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 105 H 9.42 4.98 0.00 3.06 3.23 0.00 5.59 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 0.00 106 I 8.25 4.79 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.89 1.10 0.00 0.00 107 I 8.40 4.87 1.68 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 1.15 0.92 0.87 0.00 0.00 108 V 8.35 4.82 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 0.70 0.00 0.00 0.79 0.00 0.00 109 A 8.86 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 C 8.32 5.00 0.00 1.94 1.73 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 0.00 111 G 8.66 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 0.00 112 G 8.80 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 0.00 0.00 0.00 113 S 8.31 4.80 0.00 3.96 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 0.00 114 P 0.00 4.39 0.00 2.30 2.17 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 115 Y 8.50 4.59 0.00 2.94 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 0.00 116 V 7.79 4.35 1.94 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 0.78 0.00 0.00 0.92 0.00 0.00 117 P 0.00 4.49 0.00 0.49 1.04 0.00 3.32 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 118 V 8.39 4.33 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 0.56 0.00 0.00 0.82 0.00 0.00 119 H 7.75 5.20 0.00 3.06 3.19 0.00 5.60 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 0.00 120 F 9.06 4.66 0.00 2.68 2.60 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 0.00 121 D 8.16 4.61 0.00 2.61 2.60 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 0.00 122 A 6.34 4.48 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.75 5.14 0.00 4.09 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 0.00 124 V 9.13 4.48 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 0.93 0.00 0.00 0.97 0.00 0.00 125 E 8.88 4.22 0.00 2.21 2.27 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 2.12 2.14 0.00