NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.6852 8.3829 119.2090 53.4725 39.1559 175.1874 6 Q 4.0303 8.3477 128.3272 58.9490 28.2810 174.6693 7 I 3.9996 8.0277 119.6245 64.8215 37.6785 177.9624 8 V 3.6751 7.6554 117.9721 66.0988 31.3609 177.7215 9 S 4.1094 8.0899 112.8149 61.9770 61.9541 175.7603 10 H 4.2707 8.4385 120.6918 58.9974 29.5610 176.9753 11 F 4.1051 8.4190 122.5828 61.4544 39.3279 177.2104 12 L 3.6811 8.2303 118.7252 57.4335 41.2680 179.1197 13 S 4.0165 8.0650 113.3833 61.6303 62.1567 175.8284 14 H 4.3698 7.4211 117.8250 58.0577 29.1613 177.5237 15 R 3.7746 7.7571 120.7277 59.4183 29.8011 178.2486 16 N 4.2103 8.3681 116.6449 56.1001 38.4385 177.5300 17 V 3.6252 7.5034 119.3625 66.0094 31.7638 178.0271 18 T 3.7717 7.7664 115.5366 66.7533 68.1537 176.3816 19 N 4.3209 8.3267 118.5814 56.1337 38.2967 177.1630 20 E 3.8944 7.7995 119.6637 59.2345 30.0454 178.5946 21 L 3.9398 7.9718 118.8850 57.5729 41.7131 179.2757 22 A 3.9491 8.0137 120.8066 55.0589 18.0358 179.2873 23 E 4.3446 7.6392 118.4605 58.4308 29.7539 177.7067 24 K 4.0373 7.4388 115.5645 56.7126 32.2361 176.9226 25 I 4.2681 7.3048 121.1355 59.3844 36.6366 175.8708 26 S 4.4077 8.4377 120.4745 57.8338 63.3749 175.8593 27 K 2.8819 8.3650 120.5374 59.1116 31.4135 179.2190 28 D 4.4837 7.4125 118.4671 56.5028 40.9847 177.1959 29 H 5.0258 8.1367 115.5131 55.6691 29.0606 176.1608 30 Y 4.3099 7.8848 120.0506 61.2930 37.8169 178.4062 31 S 4.4857 8.1773 110.9370 59.0450 64.0504 173.6332 32 Y 4.1187 8.1129 124.5948 57.8220 38.9217 174.7719 33 K 4.5781 7.3856 125.6038 53.6599 35.1050 174.2170 34 P 4.0117 0.0000 0.0000 64.8231 31.6432 176.1045 35 A 4.7103 7.4713 118.8506 49.8466 22.3817 176.5238 36 E 3.9252 8.7919 119.0290 59.5197 29.5456 178.5513 37 T 4.5060 7.7094 106.0001 61.7616 70.2284 174.5100 38 S 4.8178 7.2602 125.7380 58.5783 61.2081 177.5514 *40 S 4.5306 8.5400 125.7568 58.7014 64.8182 173.5344 41 A 3.9718 8.6322 124.3466 55.6149 18.0035 180.0583 42 E 3.7501 8.3967 115.9295 59.3415 29.7299 179.0517 43 E 3.8800 8.1116 119.5209 58.9721 29.5208 179.0297 44 L 3.7618 7.9961 120.4568 58.0902 42.1829 179.2100 45 V 3.4186 7.5664 117.9685 65.9679 31.5161 178.0461 46 K 3.7939 8.1253 118.4743 59.6925 31.8398 178.7598 47 H 4.1155 8.1691 118.4386 59.1741 29.2798 177.2798 48 I 3.6684 7.5666 121.5073 64.3582 36.5164 178.4349 49 L 3.9548 7.6705 119.7520 58.0882 41.4214 179.7909 50 T 3.6299 7.9955 110.3028 64.4356 68.7129 176.8521 51 S 3.8562 8.0771 117.2319 61.2350 63.0148 176.3264 52 F 4.1753 8.0454 124.0643 61.1035 39.1324 176.5849 53 H 4.2984 8.2373 117.5246 58.9669 29.6609 176.9760 54 L 3.8245 8.1610 122.3517 58.2408 41.9987 178.8239 55 F 4.3336 7.8228 117.3603 60.7262 38.8445 177.4706 56 A 4.0376 8.4150 120.5249 55.4736 18.0870 179.4917 57 N 4.3136 8.1535 114.7894 56.0042 38.4596 177.9881 58 V 3.5102 7.7443 119.9926 66.0161 31.4054 178.1924 59 I 3.6747 7.5913 118.4010 64.0621 36.9706 178.0422 60 K 4.0516 7.7883 119.5951 59.6841 32.1620 178.4153 61 E 4.1566 8.2378 117.7283 57.0339 29.5791 178.2382 62 G 3.8953 8.3344 105.3405 45.4150 0.0000 172.2156 63 N 4.9597 7.6194 114.9466 51.1977 42.1798 173.9371 64 A 4.1431 8.2465 120.1737 52.2116 19.2821 179.5414 65 S 4.1503 7.7772 113.3466 61.0245 63.5638 174.7049 66 P 4.2577 0.0000 0.0000 64.3997 31.2263 178.1987 67 F 4.6225 7.2024 116.4908 60.3817 38.9792 176.8979 68 Q 4.0430 8.2530 121.7193 59.0989 28.5872 176.7825 69 N 4.4333 7.5255 115.8534 52.6445 35.9592 179.1718 70 K 4.1960 8.3912 128.8036 53.7848 30.5938 175.2872 71 Q 4.3180 8.4123 126.4106 53.5689 27.4884 175.1765 72 E 4.3125 8.4150 121.4865 54.0072 28.4996 172.3194 73 E 4.2135 8.5846 128.4242 56.0765 30.2400 177.6143 74 T 4.2091 8.4531 118.6588 62.6153 69.2277 171.4703 75 E 4.2618 8.1156 120.5796 56.7229 30.2099 176.1420 76 T 4.4790 8.2797 113.7455 61.8247 71.0922 174.4247 77 D 4.5835 8.3396 122.6873 54.0949 41.9826 176.4516 78 L 3.9048 8.7490 128.2199 58.1501 41.5353 179.4437 79 N 4.4701 8.4300 116.3885 56.1933 38.4281 177.7461 80 V 3.6440 7.9635 119.3311 65.7546 31.7092 177.9117 81 L 4.0866 8.3135 118.8875 57.7459 41.5852 179.2742 82 A 4.0256 8.5465 120.9607 55.0423 18.3680 179.5954 83 K 3.8694 8.0681 117.9735 59.9857 32.3248 179.0479 84 T 3.8218 7.9986 115.9327 67.0991 68.4421 176.3583 85 Y 4.0375 8.2422 118.4237 61.0313 37.7174 178.6990 86 T 4.0956 8.0594 116.8364 66.7106 68.6303 176.5436 87 E 4.0054 8.2802 120.4584 59.5157 29.3697 179.6813 88 K 4.0380 8.2409 118.4696 59.7113 31.9769 179.6660 89 T 3.9739 8.1604 116.1133 66.3982 68.4396 177.0993 90 V 3.5186 8.1849 120.3578 66.0469 31.3513 177.8089 91 A 4.2519 7.8216 119.1223 55.2692 18.4901 179.5541 92 I 3.8137 7.5745 118.1548 64.5963 37.2519 178.5141 93 L 3.9827 8.1164 120.1205 58.0274 41.2305 179.3760 94 E 4.0155 8.5493 117.6365 59.1017 29.4576 178.5991 95 Q 4.4693 7.7254 115.3985 54.9619 29.7594 176.0931 96 L 4.2313 7.2382 120.9239 55.2064 42.2618 177.5304 97 T 4.5013 8.6127 114.5063 60.4737 71.8466 175.7999 98 E 3.9978 8.6225 121.3154 59.4254 29.4247 179.3331 99 E 3.9131 8.1142 119.0304 59.5307 29.3132 178.8196 100 Q 4.0495 7.8590 117.5095 58.7958 28.6084 178.7425 101 L 4.0909 7.9577 120.2357 57.7061 41.5041 179.0427 102 D 4.3943 8.3624 118.6869 55.9731 41.3967 177.3579 103 R 4.2131 7.4500 115.8209 55.7799 31.0677 175.7608 104 E 4.5931 8.6407 122.0882 56.1734 30.7939 175.5862 105 I 4.2715 9.4124 129.0394 59.7972 39.0649 174.7729 106 D 4.8395 8.7995 127.7140 53.4547 40.4559 174.8951 107 L 4.8961 8.1425 126.5936 52.6438 44.2314 177.1928 108 T 3.7775 8.7222 118.6541 62.3130 68.9339 174.4741 *114 K 4.5379 7.8999 123.4137 56.4358 33.3777 178.0367 115 V 4.6540 8.4780 122.5720 59.8114 35.2150 174.0483 116 T 4.1393 8.6039 113.4513 61.3716 70.0726 175.4528 117 G 3.8560 8.7372 112.1531 47.4045 0.0000 176.0064 118 R 3.8520 8.3414 120.9596 59.2750 30.2556 178.5952 119 A 3.9920 7.9828 120.5004 54.9129 18.2654 179.3468 120 L 3.7603 8.0113 119.0050 57.7422 41.8528 178.9616 121 L 3.7311 7.5358 120.0021 58.0078 42.1203 178.3497 122 Q 4.0842 7.7527 118.5095 58.9975 29.2590 177.6221 123 L 3.9900 7.6811 120.9795 57.8127 42.0320 179.4657 124 A 3.3791 7.2972 117.6938 52.6855 17.8910 178.8542 *126 E 4.2667 8.1870 122.5157 58.1936 31.9485 178.0715 127 H 4.2102 8.3351 118.1853 59.0719 29.8008 176.7610 128 E 4.0510 8.4275 121.1788 59.6257 29.5240 178.9593 129 I 3.6896 7.7538 119.1603 64.4933 37.2240 177.4240 130 H 4.0203 8.5676 119.4841 60.0606 29.6075 177.0699 131 H 4.5147 8.1818 118.8667 57.8509 28.5189 177.8079 132 K 4.0521 8.5336 122.2958 59.2155 30.3997 179.0048 133 G 3.6698 8.0855 106.2160 47.8395 0.0000 175.3169 134 N 4.4942 7.9834 118.9416 56.1319 38.5799 177.2408 135 L 3.8751 8.0844 121.7651 58.0774 42.0714 178.7840 136 F 3.9057 8.4813 117.8421 60.7442 38.8913 177.8876 137 V 3.7448 7.6475 116.4470 65.9719 31.1093 177.3949 138 Y 4.1471 7.9812 115.3839 61.5002 38.2041 178.8192 139 V 3.7238 8.1728 118.8796 65.9013 31.3853 177.9813 140 R 4.5268 7.7754 119.0487 58.6302 30.7801 178.5097 141 E 4.2814 8.0335 118.7401 55.9354 27.6764 177.8593 *143 G 3.7892 7.8139 106.3406 45.1518 0.0000 172.2577 144 H 4.6386 7.7119 117.6526 55.0904 29.4475 175.8243 145 T 4.4904 8.5554 113.0164 61.2945 70.3347 174.2312 146 E 4.4949 8.0268 123.3437 54.2137 28.7453 173.9015 147 L 4.7987 7.8459 122.6820 51.3151 44.2733 174.9298 148 P 4.5618 0.0000 0.0000 62.3446 32.2839 175.9879 149 F 4.4810 8.6800 121.3560 58.2508 39.8182 175.7040 150 Y 4.5177 7.0444 123.6095 58.9805 38.0989 175.6617 151 Q 4.5395 6.5107 120.5686 54.4389 32.0926 174.5410 152 Q 4.3478 8.8789 127.7898 56.0268 30.0035 177.0298 153 R 4.1981 8.3738 120.4888 57.2665 29.1896 177.4163 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 5 N 8.38 4.69 0.00 2.76 2.84 0.00 0.00 7.20 6.03 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 6 Q 8.35 4.03 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.08 0.00 7 I 8.03 4.00 2.05 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 1.59 0.68 0.98 0.00 0.00 8 V 7.66 3.68 2.14 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 1.15 0.00 0.00 0.97 0.00 0.00 9 S 8.09 4.11 0.00 4.06 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 10 H 8.44 4.27 0.00 3.41 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.42 4.11 0.00 3.13 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 12 L 8.23 3.68 0.00 1.82 1.62 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.07 4.02 0.00 3.98 4.08 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 0.00 0.00 0.00 14 H 7.42 4.37 0.00 3.27 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.76 3.77 0.00 0.70 0.98 0.00 3.19 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.43 0.00 16 N 8.37 4.21 0.00 2.72 2.80 0.00 0.00 6.61 7.67 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 17 V 7.50 3.63 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 1.25 0.00 0.00 1.06 0.00 0.00 18 T 7.77 3.77 4.31 0.00 0.00 0.00 0.00 0.00 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 19 N 8.33 4.32 0.00 2.66 2.82 0.00 0.00 6.69 8.41 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 20 E 7.80 3.89 0.00 2.11 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 0.00 2.27 2.32 0.00 21 L 7.97 3.94 0.00 1.71 1.46 0.12 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.01 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.64 4.34 0.00 1.89 2.22 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 2.30 2.22 0.00 24 K 7.44 4.04 0.00 1.77 1.31 0.00 1.61 0.00 0.00 1.46 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.47 7.81 25 I 7.30 4.27 2.07 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 1.38 0.66 1.12 0.00 0.00 26 S 8.44 4.41 0.00 3.99 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 27 K 8.37 2.88 0.00 1.57 1.40 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.95 1.34 7.81 28 D 7.41 4.48 0.00 2.55 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 29 H 8.14 5.03 0.00 3.42 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 7.88 4.31 0.00 3.15 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 31 S 8.18 4.49 0.00 4.05 4.07 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 32 Y 8.11 4.12 0.00 3.25 3.15 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 33 K 7.39 4.58 0.00 1.50 1.69 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.58 7.81 34 P 0.00 4.01 0.00 1.75 1.89 0.00 3.10 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.30 0.00 35 A 7.47 4.71 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.79 3.93 0.00 1.94 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 2.28 2.27 0.00 37 T 7.71 4.51 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 1.20 0.00 0.00 38 S 7.26 4.82 0.00 3.94 3.12 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 0.00 0.00 0.00 0.00 *40 S 8.54 4.53 0.00 4.29 4.09 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 41 A 8.63 3.97 1.61 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 0.00 0.00 42 E 8.40 3.75 0.00 1.90 1.79 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 2.50 2.31 0.00 43 E 8.11 3.88 0.00 2.29 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 2.32 2.32 0.00 44 L 8.00 3.76 0.00 1.50 1.51 0.79 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.57 3.42 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 0.86 0.00 0.00 0.85 0.00 0.00 46 K 8.13 3.79 0.00 1.79 1.75 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.49 7.81 47 H 8.17 4.12 0.00 3.24 3.42 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.57 3.67 1.98 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 1.52 0.85 0.98 0.00 0.00 49 L 7.67 3.95 0.00 1.49 1.15 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.00 3.63 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 0.90 0.00 0.00 51 S 8.08 3.86 0.00 3.91 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 52 F 8.05 4.18 0.00 3.34 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 53 H 8.24 4.30 0.00 3.57 3.59 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.16 3.82 0.00 1.81 1.56 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.82 4.33 0.00 3.02 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 56 A 8.41 4.04 1.44 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 0.00 0.00 0.00 57 N 8.15 4.31 0.00 2.87 2.77 0.00 0.00 6.66 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 58 V 7.74 3.51 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 1.15 0.00 0.00 0.54 0.00 0.00 59 I 7.59 3.67 1.86 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 1.38 0.79 0.90 0.00 0.00 60 K 7.79 4.05 0.00 1.80 2.01 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 61 E 8.24 4.16 0.00 1.89 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 2.47 2.39 0.00 62 G 8.33 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 0.00 0.00 0.00 63 N 7.62 4.96 0.00 2.60 2.66 0.00 0.00 6.95 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 64 A 8.25 4.14 1.48 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 0.00 0.00 65 S 7.78 4.15 0.00 3.97 4.10 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 66 P 0.00 4.26 0.00 1.86 1.99 0.00 3.16 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 67 F 7.20 4.62 0.00 3.15 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 68 Q 8.25 4.04 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.15 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 69 N 7.53 4.43 0.00 2.82 2.66 0.00 0.00 6.93 7.32 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 70 K 8.39 4.20 0.00 1.77 1.68 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.00 7.81 71 Q 8.41 4.32 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.27 0.00 0.00 0.00 0.00 0.00 2.24 1.91 0.00 72 E 8.41 4.31 0.00 1.98 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 2.23 1.86 0.00 73 E 8.58 4.21 0.00 2.03 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 2.50 2.43 0.00 74 T 8.45 4.21 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 75 E 8.12 4.26 0.00 1.91 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 0.00 2.32 2.40 0.00 76 T 8.28 4.48 4.36 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 0.00 0.00 0.00 1.27 0.00 0.00 77 D 8.34 4.58 0.00 2.86 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 78 L 8.75 3.90 0.00 1.66 1.58 0.46 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.43 4.47 0.00 2.96 2.88 0.00 0.00 6.66 7.73 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 80 V 7.96 3.64 2.24 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 1.08 0.00 0.00 1.01 0.00 0.00 81 L 8.31 4.09 0.00 1.94 1.84 1.00 1.19 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 82 A 8.55 4.03 1.44 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 0.00 0.00 0.00 83 K 8.07 3.87 0.00 1.95 1.83 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 84 T 8.00 3.82 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 0.96 0.00 0.00 85 Y 8.24 4.04 0.00 3.18 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 86 T 8.06 4.10 4.47 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 1.29 0.00 0.00 87 E 8.28 4.01 0.00 2.19 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 2.35 2.51 0.00 88 K 8.24 4.04 0.00 1.91 1.90 0.00 1.35 0.00 0.00 1.25 0.00 0.00 2.65 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.47 7.81 89 T 8.16 3.97 4.21 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 0.72 0.00 0.00 90 V 8.18 3.52 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 0.94 0.00 0.00 1.18 0.00 0.00 91 A 7.82 4.25 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 3.81 1.99 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 1.51 1.16 0.94 0.00 0.00 93 L 8.12 3.98 0.00 1.74 1.71 0.50 1.03 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 94 E 8.55 4.02 0.00 2.05 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 2.37 2.54 0.00 95 Q 7.73 4.47 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 96 L 7.24 4.23 0.00 1.74 1.63 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.61 4.50 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 1.25 0.00 0.00 98 E 8.62 4.00 0.00 2.00 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 0.00 2.41 2.32 0.00 99 E 8.11 3.91 0.00 2.03 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 0.00 2.37 2.40 0.00 100 Q 7.86 4.05 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 101 L 7.96 4.09 0.00 1.86 1.71 0.98 0.84 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 0.00 102 D 8.36 4.39 0.00 2.67 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 0.00 103 R 7.45 4.21 0.00 1.90 2.15 0.00 2.76 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.57 0.00 104 E 8.64 4.59 0.00 2.00 1.89 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 2.29 2.34 0.00 105 I 9.41 4.27 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.65 0.95 0.00 0.00 106 D 8.80 4.84 0.00 2.62 2.62 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 0.00 107 L 8.14 4.90 0.00 1.71 1.65 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.72 3.78 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 1.24 0.00 0.00 *114 K 7.90 4.54 0.00 1.59 1.68 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 115 V 8.48 4.65 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 0.69 0.00 0.00 0.90 0.00 0.00 116 T 8.60 4.14 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 1.20 0.00 0.00 117 G 8.74 3.86 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 0.00 0.00 0.00 118 R 8.34 3.85 0.00 2.03 1.92 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 119 A 7.98 3.99 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 0.00 120 L 8.01 3.76 0.00 1.72 1.72 0.87 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.54 3.73 0.00 1.73 1.85 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 7.75 4.08 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 123 L 7.68 3.99 0.00 1.77 1.42 0.80 0.71 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 0.00 124 A 7.30 3.38 0.37 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 *126 E 8.19 4.27 0.00 2.05 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 0.00 2.31 2.56 0.00 127 H 8.34 4.21 0.00 3.45 3.61 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.43 4.05 0.00 2.64 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 0.00 2.36 2.47 0.00 129 I 7.75 3.69 1.98 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 1.23 0.30 0.88 0.00 0.00 130 H 8.57 4.02 0.00 3.21 3.44 0.00 5.78 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 0.00 131 H 8.18 4.51 0.00 3.21 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.53 4.05 0.00 1.85 2.10 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.75 1.58 7.81 133 G 8.09 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 0.00 134 N 7.98 4.49 0.00 2.97 3.03 0.00 0.00 6.68 6.76 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 0.00 135 L 8.08 3.88 0.00 1.77 1.79 0.71 1.05 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 0.00 136 F 8.48 3.91 0.00 3.30 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 0.00 137 V 7.65 3.74 2.31 0.00 0.00 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 1.06 0.00 0.00 138 Y 7.98 4.15 0.00 3.12 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 0.00 139 V 8.17 3.72 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 0.91 0.00 0.00 0.92 0.00 0.00 140 R 7.78 4.53 0.00 2.05 2.24 0.00 3.26 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 141 E 8.03 4.28 0.00 2.21 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 2.37 2.42 0.00 *143 G 7.81 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 0.00 144 H 7.71 4.64 0.00 3.38 3.24 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.56 4.49 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 1.27 0.00 0.00 146 E 8.03 4.49 0.00 1.94 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 2.22 2.39 0.00 147 L 7.85 4.80 0.00 1.89 1.73 1.10 1.09 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 0.00 148 P 0.00 4.56 0.00 2.29 2.11 0.00 3.74 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 2.00 1.92 0.00 149 F 8.68 4.48 0.00 3.06 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 0.00 150 Y 7.04 4.52 0.00 2.89 2.39 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 0.00 151 Q 6.51 4.54 0.00 1.68 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.97 0.00 0.00 0.00 0.00 0.00 2.06 1.76 0.00 152 Q 8.88 4.35 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 153 R 8.37 4.20 0.00 1.60 1.70 0.00 3.30 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 * Residues marked with a * may have inaccurate shift predictions.