NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2821 8.4345 117.0992 59.2360 63.4312 174.0311 3 N 3.7753 8.4905 120.7513 53.0833 37.1461 168.9946 4 V 4.3778 8.2487 118.5895 62.3661 29.7336 167.4248 5 V 4.1400 6.4882 115.8090 59.9331 34.8569 174.3898 6 Q 4.9128 9.2657 124.8323 54.7077 31.2753 171.4369 7 A 3.6850 8.8666 131.5612 53.3864 15.5301 175.6419 8 R 4.7716 7.6727 120.6392 54.6659 34.1367 176.8701 9 D 4.9622 8.2891 115.5274 52.8735 43.4723 174.1883 10 N 4.5273 8.7909 120.5064 53.6135 37.4947 174.6732 11 S 4.6747 8.0108 111.6508 60.6915 64.8432 171.6036 12 Q 4.6201 7.6574 121.0276 53.8350 31.7896 177.2280 13 V 3.4922 8.1053 120.8945 62.3670 32.3644 177.5896 *14 F 4.6115 8.6943 115.0949 57.6159 43.6069 176.3265 15 G 4.1747 9.1092 111.0574 47.5676 0.0000 173.7336 16 V 4.8485 7.7332 115.3196 59.8567 36.2691 170.8629 17 A 4.9004 10.0040 129.7876 50.1235 22.1614 175.9645 18 R 4.7924 8.6291 124.3420 56.9887 31.9670 174.2473 19 I 4.0896 8.5614 126.0971 60.6917 35.4057 178.6764 *20 Y 3.8298 10.7854 118.6817 58.1593 36.6976 170.0593 21 A 4.4119 8.1998 123.5240 51.4544 20.4598 176.9327 22 S 4.1554 8.5410 121.2167 59.9686 62.7224 173.8050 *23 F 4.2631 8.8501 122.1453 57.9934 37.9595 174.9820 24 N 5.2149 8.4844 119.8768 51.9778 39.1270 178.4197 25 D 4.5082 7.2603 125.5916 54.7877 44.9436 180.4398 26 T 4.8488 7.6733 126.9454 63.3118 70.8475 170.4139 *27 F 4.9481 8.9680 132.3241 56.4354 40.2685 173.3084 28 V 4.1961 8.0806 113.0251 63.7682 35.1220 170.6934 *29 H 5.2080 8.2648 125.2151 54.9210 32.9789 171.2090 30 V 3.9573 8.3062 122.5579 62.1953 34.0263 175.1320 31 T 3.8260 8.7112 123.6974 61.0785 67.3933 175.1975 32 D 4.3864 8.2924 122.5665 54.9319 45.7653 178.3636 33 L 4.2975 8.5793 119.4470 56.3787 43.0415 173.6491 34 S 3.7684 8.8762 110.4946 60.9905 60.3876 168.8214 35 G 3.9591 8.0028 121.4831 43.5324 0.0000 178.4351 36 K 4.2150 9.6455 120.9077 54.8480 30.7738 176.6601 37 E 4.9458 8.0221 112.9402 57.8043 33.2155 178.4676 38 T 4.4522 8.1648 111.9865 60.6648 70.7160 174.9675 39 I 4.1754 7.8430 122.3733 57.0420 34.9864 175.0488 40 A 4.9460 7.8340 135.0000 51.7248 20.5112 177.3563 41 R 5.4085 7.4058 122.5971 56.8141 32.5224 172.4826 42 V 4.9102 9.0766 125.6603 64.2365 33.3593 171.8994 43 T 4.0325 7.2112 104.9998 58.7643 72.7046 177.6320 44 G 4.1731 8.1563 105.5256 50.7285 0.0000 172.9210 45 G 3.9972 7.8571 116.3002 45.6663 0.0000 172.1974 46 M 4.7735 7.4607 124.2254 54.6900 40.3189 176.7684 47 K 4.7664 7.4720 123.7043 53.6962 37.3173 181.0345 48 V 3.0882 8.4072 115.4386 64.2748 30.5699 173.0606 49 K 4.4807 8.4487 108.6806 59.0176 32.9947 174.9055 50 A 4.1195 7.0018 127.4034 54.5334 16.4407 177.8281 51 D 4.7362 7.7867 124.9796 56.4826 42.2600 180.8411 52 R 4.2194 8.2348 119.7229 59.1508 30.4245 179.4526 53 D 4.7927 8.2587 114.4918 54.2759 41.3741 178.2030 54 E 4.3427 9.2516 120.0734 57.9891 29.9383 181.1746 55 S 4.2813 8.1899 116.7751 62.6699 62.8990 180.6703 56 S 4.4808 7.9624 120.3335 57.6711 62.7343 176.0013 57 P 4.5788 0.0000 0.0000 65.2641 30.0731 176.3816 *58 Y 3.9613 7.5451 120.8232 62.8622 36.9234 182.5467 59 A 4.7328 7.8641 118.7809 52.6140 20.0798 178.5060 60 A 4.1133 8.8595 122.8908 55.4469 18.1363 180.2903 61 M 4.1953 8.0550 120.7536 60.1225 31.7744 183.4422 62 L 4.4364 7.4405 119.3237 56.4934 41.2410 179.3135 63 A 4.3796 7.3986 121.6883 52.8321 18.8316 179.3269 64 A 3.9261 8.9553 121.5406 54.9435 18.1637 179.6788 65 Q 3.8191 8.5808 112.5885 60.2945 28.4474 180.4160 66 D 4.9215 8.2553 121.3254 53.2448 41.6079 179.2599 67 V 4.2389 7.0140 130.7918 61.0555 38.5804 178.5656 68 A 4.0974 9.0154 127.8596 55.8602 17.9962 179.5659 69 A 4.2640 9.4480 119.3182 53.8910 18.3686 178.5846 70 K 4.4219 8.1267 120.3875 55.4278 31.7324 184.2186 71 C 4.2085 8.5485 121.3086 62.3931 27.9180 181.2309 72 K 4.3369 8.1900 122.5088 56.8493 31.0823 179.3895 73 E 3.9653 7.6696 116.0404 59.4063 29.7932 182.7259 74 V 4.5248 6.8895 117.4613 61.5847 32.8131 178.7212 75 G 4.1919 8.3743 114.1312 47.2568 0.0000 176.4506 76 I 3.6739 7.9190 119.0989 61.5399 36.0749 179.2296 77 T 4.2878 8.6122 114.7968 60.9557 71.5577 171.3737 78 A 4.7609 8.0353 128.6796 51.9870 22.2266 176.1074 79 V 5.4245 7.8386 128.3314 60.3040 30.1854 176.1310 *80 H 4.8087 8.4931 121.2038 56.9855 31.1882 173.3816 81 V 4.7982 7.7197 125.0674 59.7792 34.4492 173.5511 82 K 5.0692 8.1328 124.5928 56.3648 34.3150 175.6703 83 I 4.2905 8.1884 128.8399 60.8865 36.5913 177.0012 84 R 4.5076 8.7278 121.6425 54.6823 32.3372 173.2940 85 A 4.2139 8.1994 121.3568 54.5645 19.0142 175.9339 86 T 4.9625 8.1214 117.9612 60.0524 70.9901 169.5472 87 G 3.4914 8.7492 108.9972 45.5792 0.0000 170.1358 88 G 3.8387 9.4322 116.7112 45.4948 0.0000 174.3459 89 T 4.4914 8.1782 118.9148 60.4499 71.3980 172.1776 90 R 3.5143 8.3901 132.7536 56.6991 27.8756 174.7835 91 T 4.1419 8.0362 108.2369 62.6337 71.4943 171.7403 92 K 4.4807 8.6938 129.3548 54.1827 33.3402 175.7779 93 T 4.5632 7.8214 109.3227 61.8436 71.9795 168.6929 94 P 4.5640 0.0000 0.0000 59.7334 30.5023 171.4012 95 G 4.5539 8.0981 107.2300 45.5322 0.0000 172.2776 *96 P 4.5868 0.0000 0.0000 61.3997 31.7304 178.4300 97 G 3.3904 9.2916 107.6676 45.9311 0.0000 178.0260 98 G 3.9483 9.8956 118.6614 46.8917 0.0000 176.5124 99 Q 3.9707 9.4863 120.9172 58.0541 29.2223 181.1120 100 A 3.9976 8.5638 121.7328 54.8758 18.9193 179.1939 101 A 4.0860 8.2227 119.5086 55.0822 17.9335 179.9033 102 L 4.1045 6.2347 123.9462 59.1908 42.0422 181.9433 103 R 4.2739 8.0225 121.1908 61.6438 29.3190 179.6918 104 A 4.1038 8.1375 122.9058 56.5929 18.0041 180.0361 105 L 3.9545 7.8869 120.7562 59.1352 41.1731 181.5182 106 A 4.4384 7.8298 121.1567 55.7554 18.9132 180.1905 107 R 4.3770 8.1195 122.0935 59.8353 29.3344 178.7418 108 S 4.7161 7.5082 116.0168 58.6819 66.7766 178.8539 109 G 3.8788 8.9544 107.9446 47.9359 0.0000 174.2799 110 L 4.9676 7.3275 129.6708 56.8835 45.9999 173.1626 111 R 4.4623 8.3978 113.8963 57.8580 32.6955 171.7754 112 I 3.8845 8.6185 119.9644 59.5298 36.1766 174.9521 113 G 3.8413 8.9243 108.9309 46.4590 0.0000 174.5600 114 R 3.9373 9.1313 127.8240 57.6074 26.6187 175.0049 115 I 4.2996 7.8387 119.3306 60.9226 33.8885 176.6084 116 E 4.6325 8.3808 126.5582 54.4775 32.5938 174.1506 117 D 5.0863 8.9108 129.5851 54.4126 38.7484 174.3065 118 V 3.7938 9.3958 126.3187 63.0551 32.4970 175.8066 119 T 3.9952 6.9053 112.2246 61.9542 68.4873 177.1884 120 P 4.9362 0.0000 0.0000 60.0973 32.5886 172.6182 121 V 4.6402 8.1169 121.3073 58.5840 35.6855 169.9749 122 P 5.1523 0.0000 0.0000 61.3647 34.7699 177.5689 123 S 4.3084 8.5778 116.7842 60.6085 59.5702 170.7977 124 D 4.4102 8.5217 127.0922 53.7907 39.0668 173.4484 125 S 4.7078 7.9984 126.5967 57.5967 63.0470 173.6577 126 T 4.4032 8.7418 115.1660 61.7986 68.9648 174.2960 127 R 4.4689 8.4464 127.2440 54.7024 31.8643 173.2147 128 K 4.1722 9.1349 126.5279 55.4562 30.7222 176.8074 129 K 4.2431 8.8573 120.5353 55.5391 32.5080 178.2490 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 S 8.43 4.28 0.00 3.65 3.77 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 3 N 8.49 3.78 0.00 2.92 2.70 0.00 0.00 6.90 6.79 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 4 V 8.25 4.38 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 0.79 0.00 0.00 0.93 0.00 0.00 5 V 6.49 4.14 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 0.78 0.00 0.00 0.93 0.00 0.00 6 Q 9.27 4.91 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.03 1.69 0.00 7 A 8.87 3.68 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 8 R 7.67 4.77 0.00 1.79 1.68 0.00 3.21 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 9 D 8.29 4.96 0.00 2.63 2.40 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 10 N 8.79 4.53 0.00 2.73 2.69 0.00 0.00 6.46 7.64 0.00 0.00 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 S 8.01 4.67 0.00 3.60 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 12 Q 7.66 4.62 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.96 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 13 V 8.11 3.49 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 0.67 0.00 0.00 0.93 0.00 0.00 *14 F 8.69 4.61 0.00 2.20 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 0.00 0.00 0.00 15 G 9.11 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 16 V 7.73 4.85 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 0.71 0.00 0.00 0.93 0.00 0.00 17 A 10.00 4.90 1.18 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 18 R 8.63 4.79 0.00 1.55 1.80 0.00 3.26 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 19 I 8.56 4.09 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 1.09 1.13 0.91 0.00 0.00 *20 Y 10.79 3.83 0.00 2.39 2.45 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 21 A 8.20 4.41 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 22 S 8.54 4.16 0.00 3.66 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 *23 F 8.85 4.26 0.00 2.29 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 0.00 0.00 0.00 24 N 8.48 5.21 0.00 2.63 2.61 0.00 0.00 6.65 8.66 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 25 D 7.26 4.51 0.00 2.66 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 0.00 0.00 0.00 0.00 26 T 7.67 4.85 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 *27 F 8.97 4.95 0.00 1.97 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 0.00 0.00 0.00 0.00 28 V 8.08 4.20 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 0.57 0.00 0.00 0.93 0.00 0.00 *29 H 8.26 5.21 0.00 2.68 2.88 0.00 7.10 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.31 3.96 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 0.88 0.00 0.00 0.93 0.00 0.00 31 T 8.71 3.83 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 32 D 8.29 4.39 0.00 2.65 2.47 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 33 L 8.58 4.30 0.00 1.65 1.51 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.88 3.77 0.00 3.70 4.06 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 35 G 8.00 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 36 K 9.65 4.21 0.00 1.98 1.78 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.22 0.98 7.81 37 E 8.02 4.95 0.00 1.93 1.69 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 1.97 1.69 0.00 38 T 8.16 4.45 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 39 I 7.84 4.18 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 1.35 1.13 0.91 0.00 0.00 40 A 7.83 4.95 1.39 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 0.00 0.00 41 R 7.41 5.41 0.00 1.81 1.68 0.00 3.28 0.00 0.00 3.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.95 0.00 42 V 9.08 4.91 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 0.78 0.00 0.00 0.93 0.00 0.00 43 T 7.21 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 44 G 8.16 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 45 G 7.86 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.46 4.77 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.10 0.00 47 K 7.47 4.77 0.00 1.71 1.59 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 0.96 7.81 48 V 8.41 3.09 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 0.83 0.00 0.00 0.93 0.00 0.00 49 K 8.45 4.48 0.00 1.62 1.67 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.34 1.00 7.81 50 A 7.00 4.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 4.74 0.00 2.73 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 52 R 8.23 4.22 0.00 1.82 1.90 0.00 3.18 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 53 D 8.26 4.79 0.00 2.62 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 0.00 0.00 0.00 0.00 54 E 9.25 4.34 0.00 1.98 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 2.20 1.86 0.00 55 S 8.19 4.28 0.00 3.65 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 56 S 7.96 4.48 0.00 3.65 3.77 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 57 P 0.00 4.58 0.00 2.07 2.06 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 *58 Y 7.55 3.96 0.00 2.42 2.29 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 59 A 7.86 4.73 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 60 A 8.86 4.11 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 61 M 8.06 4.20 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.17 0.00 62 L 7.44 4.44 0.00 1.72 1.60 0.92 1.27 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 63 A 7.40 4.38 1.28 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 0.00 0.00 64 A 8.96 3.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.58 3.82 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.59 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 66 D 8.26 4.92 0.00 2.69 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 67 V 7.01 4.24 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 0.62 0.00 0.00 0.93 0.00 0.00 68 A 9.02 4.10 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 69 A 9.45 4.26 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 70 K 8.13 4.42 0.00 1.73 1.79 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.24 7.81 71 C 8.55 4.21 0.00 2.75 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 72 K 8.19 4.34 0.00 1.76 1.78 0.00 1.68 0.00 0.00 0.61 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 0.99 7.81 73 E 7.67 3.97 0.00 1.91 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 2.25 2.14 0.00 74 V 6.89 4.52 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 0.86 0.00 0.00 0.93 0.00 0.00 75 G 8.37 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 0.00 0.00 0.00 0.00 76 I 7.92 3.67 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 0.70 0.91 0.00 0.00 77 T 8.61 4.29 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 78 A 8.04 4.76 1.26 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 0.00 0.00 0.00 79 V 7.84 5.42 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 0.88 0.00 0.00 0.93 0.00 0.00 *80 H 8.49 4.81 0.00 2.58 2.94 0.00 7.14 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.72 4.80 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 0.77 0.00 0.00 0.93 0.00 0.00 82 K 8.13 5.07 0.00 1.40 1.68 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.35 0.84 7.81 83 I 8.19 4.29 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 1.20 0.54 0.91 0.00 0.00 84 R 8.73 4.51 0.00 1.67 1.89 0.00 3.25 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.15 0.00 85 A 8.20 4.21 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.96 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 87 G 8.75 3.49 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 0.00 0.00 0.00 88 G 9.43 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 89 T 8.18 4.49 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 90 R 8.39 3.51 0.00 1.95 1.56 0.00 3.29 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 91 T 8.04 4.14 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 92 K 8.69 4.48 0.00 1.77 1.66 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.35 1.00 7.81 93 T 7.82 4.56 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 94 P 0.00 4.56 0.00 2.23 1.92 0.00 3.55 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.52 0.00 95 G 8.10 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.59 0.00 2.10 1.04 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 97 G 9.29 3.39 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 0.00 0.00 0.00 98 G 9.90 3.95 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 0.00 0.00 0.00 99 Q 9.49 3.97 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.37 1.95 0.00 100 A 8.56 4.00 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 0.00 101 A 8.22 4.09 1.28 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 0.00 0.00 102 L 6.23 4.10 0.00 1.77 1.62 0.92 0.76 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 0.00 103 R 8.02 4.27 0.00 1.84 1.97 0.00 3.27 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 104 A 8.14 4.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.89 3.95 0.00 1.79 1.63 0.92 0.88 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 0.00 106 A 7.83 4.44 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 0.00 107 R 8.12 4.38 0.00 1.93 1.81 0.00 3.31 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 108 S 7.51 4.72 0.00 3.56 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.95 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 0.00 110 L 7.33 4.97 0.00 1.62 1.35 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.40 4.46 0.00 1.76 1.66 0.00 3.24 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.03 0.00 112 I 8.62 3.88 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 1.35 1.10 0.91 0.00 0.00 113 G 8.92 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 0.00 114 R 9.13 3.94 0.00 1.99 1.86 0.00 3.28 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 115 I 7.84 4.30 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 2.18 0.91 0.00 0.00 116 E 8.38 4.63 0.00 1.61 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 2.19 1.84 0.00 117 D 8.91 5.09 0.00 2.36 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 0.00 118 V 9.40 3.79 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 0.80 0.00 0.00 0.93 0.00 0.00 119 T 6.91 4.00 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 0.00 120 P 0.00 4.94 0.00 2.07 1.85 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.56 0.00 121 V 8.12 4.64 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 0.88 0.00 0.00 0.93 0.00 0.00 122 P 0.00 5.15 0.00 2.01 1.77 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 123 S 8.58 4.31 0.00 3.62 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 0.00 124 D 8.52 4.41 0.00 2.82 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 0.00 125 S 8.00 4.71 0.00 3.55 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 0.00 126 T 8.74 4.40 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 0.00 127 R 8.45 4.47 0.00 1.82 1.73 0.00 3.24 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 0.00 128 K 9.13 4.17 0.00 1.77 1.48 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.01 7.81 129 K 8.86 4.24 0.00 1.71 1.52 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.26 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.