NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4762 8.3193 115.4166 58.3457 64.3209 171.3797 -1 N 5.0095 8.3278 116.0773 49.5827 40.1670 173.9141 0 A 4.2805 9.1107 122.2932 51.9928 18.2489 178.9459 0 S 4.4305 9.1807 114.1932 57.7928 62.9489 175.7459 3 Q 4.1771 8.3617 121.6695 55.8751 29.4341 176.5273 4 Q 4.4384 8.4854 119.3949 56.3819 30.3079 175.6575 5 V 4.8168 9.0106 114.8039 60.1490 35.4321 174.7751 6 T 5.3297 8.2518 116.9063 60.9270 72.2979 173.4534 *8 S 5.0234 8.3273 116.4585 58.8554 64.8639 172.5208 9 F 5.5949 8.9262 114.9807 56.1383 41.5311 173.0088 10 S 4.5610 9.1713 113.3410 56.8594 66.8045 173.0135 11 V 4.8112 8.2563 113.6470 59.6358 34.5757 175.4145 12 V 4.3666 8.9481 125.6812 60.5848 33.2821 172.7142 13 P 5.1686 0.0000 0.0000 61.9794 33.4475 175.1140 14 Q 4.7151 8.9765 120.2411 54.1668 31.1277 174.8475 15 A 5.0496 8.4018 126.3549 50.0981 21.6678 175.8965 16 K 4.1660 9.4720 124.3089 59.0643 32.2880 178.2361 17 T 4.6987 7.7878 105.7314 60.7307 69.4949 173.3226 18 K 4.6943 7.7488 119.2492 54.8120 36.1280 175.8570 19 D 4.4762 8.3996 121.4166 53.9825 41.7948 177.5265 20 V 3.5613 8.5105 122.6906 66.7608 31.4152 178.1415 21 Y 4.4464 7.7233 115.5540 61.2696 37.4509 178.6961 22 S 4.2046 7.8310 115.1231 61.4360 63.3174 176.6454 23 V 3.7522 7.7069 120.4876 66.0302 31.4116 178.0760 24 V 3.6421 8.1652 118.3855 66.1109 31.3075 177.4158 25 D 4.3057 8.2924 117.6807 57.1559 40.7358 178.3945 26 K 4.0663 7.8770 117.9655 58.8850 32.2370 178.9051 27 A 4.1869 7.8410 120.7988 55.3513 18.4381 179.6369 28 I 3.6564 8.0754 118.5938 64.2629 36.9946 178.1378 29 E 3.9023 8.1759 120.4404 59.2572 29.1511 179.0189 30 V 3.5298 7.2855 117.3438 66.0119 31.9014 177.8301 31 V 3.6284 7.6701 117.3082 66.1872 31.1843 177.8557 32 Q 3.8206 7.9210 116.8523 58.6869 28.6430 177.9868 33 Q 4.3216 8.0557 116.7058 56.6915 29.1176 177.6305 34 S 4.3084 7.7607 116.0472 59.4082 63.4140 175.3685 35 G 4.0308 8.4534 109.7424 45.0612 0.0000 173.8737 36 V 4.0196 7.0654 112.5990 60.3792 32.6674 175.9471 37 R 4.2278 8.4352 123.2949 57.0772 30.9337 174.8665 38 Y 5.4182 7.9471 122.5589 56.1023 41.7828 173.6421 39 E 4.6085 9.3390 120.6214 54.7564 33.3336 174.0386 40 V 4.1752 8.8717 127.7879 62.5610 32.2750 175.5502 41 G 4.0509 8.5460 116.6825 43.3877 0.0000 173.1058 42 A 4.0064 8.2974 118.9423 53.7015 18.3568 177.2001 *44 E 4.1905 7.8203 115.8641 56.6837 31.6072 174.6828 45 T 4.9488 8.3423 119.2752 62.3306 70.9595 173.8239 46 T 4.8087 9.1000 123.5548 62.5796 70.2109 173.9334 47 L 5.4445 8.6057 124.1398 53.0066 46.0518 174.9154 48 E 4.8290 9.9819 122.0854 53.6564 32.6906 176.6010 49 G 3.8131 7.8988 112.5085 45.3206 0.0000 170.6922 50 E 4.3528 8.2344 121.4107 55.5513 31.2978 177.5841 51 L 4.0093 8.7399 128.3635 58.9798 42.1173 179.1763 52 D 4.3168 8.3340 118.4209 57.1208 40.7263 179.0076 53 V 3.5696 7.7239 118.3430 65.9914 31.6582 177.9438 54 L 3.9571 8.2183 118.9982 57.8607 41.4152 179.4883 55 L 3.9191 8.1080 119.0917 57.8280 41.4744 179.1371 56 D 4.2295 8.2463 118.0415 57.0636 41.0542 178.3667 57 V 3.4596 7.7050 118.8759 65.9512 31.4198 178.1911 58 V 2.8130 7.4777 117.7191 65.6953 31.3243 177.9701 59 K 3.8482 8.0518 118.3433 59.7653 31.8372 179.5440 60 R 3.9884 8.1775 117.8657 58.6507 29.8579 179.0336 61 A 4.0009 8.0073 121.3257 55.2070 18.3307 179.6902 62 Q 4.0145 8.3208 116.5567 59.4955 28.5683 178.5010 63 Q 3.9272 8.2597 121.3175 58.8042 29.0845 177.8935 64 A 4.0283 8.4228 122.3110 55.2853 18.2974 179.3901 65 C 4.0880 7.9381 114.8901 63.0205 28.2485 176.5008 66 V 4.0909 7.4181 121.1153 65.7707 30.9219 177.8061 67 D 4.3837 8.3309 117.5426 57.0502 40.7265 177.8681 68 A 4.3174 7.7700 118.9169 52.0097 18.7571 177.5632 69 G 3.9169 7.8135 104.2208 44.9346 0.0000 174.5339 70 A 4.3106 8.3820 124.7485 52.0657 18.9265 178.8021 71 E 4.1324 9.1187 123.3090 58.8091 30.0830 176.5739 72 E 4.8230 7.6242 114.5284 55.3423 33.1926 174.3266 73 V 4.8442 8.1203 119.0583 61.4586 35.0575 174.0275 74 I 4.4342 8.8852 128.6624 60.1688 38.9017 174.5607 75 T 5.1160 8.5871 123.8760 61.8458 70.8261 173.8881 76 S 4.9760 9.0930 122.1991 56.8689 66.0464 173.3195 77 I 5.2739 8.2854 122.8882 59.5655 41.0311 174.4472 78 K 4.6750 9.2882 127.1918 54.6560 34.8090 175.2093 79 I 4.7192 8.5035 127.1724 59.7850 40.4252 174.3491 80 H 4.7702 9.4412 127.6317 54.9800 31.0739 173.0213 81 Y 4.7233 8.7249 127.6281 56.0309 40.3475 176.0498 82 R 4.4648 7.7906 127.6251 53.8915 30.3474 173.2167 83 P 4.0452 0.0000 0.0000 64.7201 32.0500 179.1232 84 S 4.1956 8.0313 113.6920 61.0837 62.8683 175.0815 85 T 4.3461 7.5750 107.4935 59.3768 69.7626 174.6438 86 G 4.0746 8.8489 108.1621 45.6174 0.0000 173.2366 87 V 4.6696 7.9430 117.1224 59.1015 34.2756 175.4598 88 T 4.8533 8.3057 112.3709 59.3007 73.2930 175.1011 89 I 3.9043 9.1382 123.2747 64.8981 37.2810 178.5790 90 D 4.5166 8.2509 119.4006 57.4181 40.4683 178.6162 91 E 4.2331 7.9744 116.9683 59.1267 29.6490 178.8064 92 K 4.2969 8.0075 118.2557 57.7832 32.6631 178.3799 93 V 4.4151 7.5608 110.4135 60.8527 32.8019 177.5095 94 W 2.6702 7.5329 116.4685 59.1119 27.8489 178.1796 95 K 2.9619 6.1432 116.9535 57.4277 31.2835 176.9615 96 Y 4.7727 7.1741 114.6783 57.3440 39.3539 175.4927 97 R 4.7821 7.5543 119.3801 54.1834 33.4198 176.2046 98 D 4.5668 8.9486 122.4196 56.8792 41.0497 177.5875 99 E 4.0799 8.2507 116.0154 58.3397 29.9715 176.5409 100 Y 4.3774 7.8948 117.0680 56.9356 39.1683 175.3352 101 A 4.4078 8.5967 125.0147 52.3926 19.3355 176.8792 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 8.32 4.48 0.00 4.03 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 -1 N 8.33 5.01 0.00 2.85 2.82 0.00 0.00 6.36 6.38 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 A 9.11 4.28 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 0 S 9.18 4.43 0.00 3.67 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 3 Q 8.36 4.18 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 4 Q 8.49 4.44 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 5 V 9.01 4.82 2.32 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 1.03 0.00 0.00 1.04 0.00 0.00 6 T 8.25 5.33 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 1.31 0.00 0.00 *8 S 8.33 5.02 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 9 F 8.93 5.59 0.00 3.31 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 10 S 9.17 4.56 0.00 3.78 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 0.00 11 V 8.26 4.81 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 0.92 0.00 0.00 0.98 0.00 0.00 12 V 8.95 4.37 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 1.08 0.00 0.00 0.94 0.00 0.00 13 P 0.00 5.17 0.00 2.12 2.04 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 14 Q 8.98 4.72 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.59 0.00 15 A 8.40 5.05 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 16 K 9.47 4.17 0.00 1.73 1.88 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 17 T 7.79 4.70 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 18 K 7.75 4.69 0.00 1.70 1.70 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.56 7.81 19 D 8.40 4.48 0.00 2.79 2.53 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 0.00 0.00 0.00 0.00 20 V 8.51 3.56 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 1.15 0.00 0.00 0.85 0.00 0.00 21 Y 7.72 4.45 0.00 3.03 2.89 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 0.00 22 S 7.83 4.20 0.00 4.01 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 23 V 7.71 3.75 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 1.09 0.00 0.00 1.01 0.00 0.00 24 V 8.17 3.64 2.19 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 1.03 0.00 0.00 1.01 0.00 0.00 25 D 8.29 4.31 0.00 3.01 2.82 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 26 K 7.88 4.07 0.00 1.96 1.86 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.61 7.81 27 A 7.84 4.19 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.08 3.66 1.85 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 1.57 0.83 0.84 0.00 0.00 29 E 8.18 3.90 0.00 2.20 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 0.00 2.30 2.32 0.00 30 V 7.29 3.53 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 0.81 0.00 0.00 1.01 0.00 0.00 31 V 7.67 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 0.50 0.00 0.00 1.12 0.00 0.00 32 Q 7.92 3.82 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 33 Q 8.06 4.32 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 34 S 7.76 4.31 0.00 4.05 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 35 G 8.45 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.07 4.02 2.35 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 0.70 0.00 0.00 1.04 0.00 0.00 37 R 8.44 4.23 0.00 1.92 1.85 0.00 3.18 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 38 Y 7.95 5.42 0.00 3.18 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 39 E 9.34 4.61 0.00 2.01 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 2.23 2.25 0.00 40 V 8.87 4.18 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 0.79 0.00 0.00 1.06 0.00 0.00 41 G 8.55 4.05 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 0.00 0.00 0.00 42 A 8.30 4.01 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 *44 E 7.82 4.19 0.00 1.91 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 2.28 2.29 0.00 45 T 8.34 4.95 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 1.33 0.00 0.00 46 T 9.10 4.81 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 1.29 0.00 0.00 47 L 8.61 5.44 0.00 1.65 1.61 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.98 4.83 0.00 2.00 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 2.28 0.00 49 G 7.90 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 0.00 0.00 0.00 50 E 8.23 4.35 0.00 2.07 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 2.40 2.49 0.00 51 L 8.74 4.01 0.00 1.90 1.73 0.91 1.21 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 52 D 8.33 4.32 0.00 2.90 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 53 V 7.72 3.57 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 1.07 0.00 0.00 1.00 0.00 0.00 54 L 8.22 3.96 0.00 2.00 1.68 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.11 3.92 0.00 1.63 1.67 0.87 1.11 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 56 D 8.25 4.23 0.00 2.84 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 57 V 7.70 3.46 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 0.87 0.00 0.00 0.92 0.00 0.00 58 V 7.48 2.81 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 0.84 0.00 0.00 0.33 0.00 0.00 59 K 8.05 3.85 0.00 1.92 1.81 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.53 7.81 60 R 8.18 3.99 0.00 1.87 1.94 0.00 3.10 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 61 A 8.01 4.00 1.49 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 62 Q 8.32 4.01 0.00 2.31 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 63 Q 8.26 3.93 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 64 A 8.42 4.03 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 65 C 7.94 4.09 0.00 3.19 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 66 V 7.42 4.09 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 1.45 0.00 0.00 0.98 0.00 0.00 67 D 8.33 4.38 0.00 2.81 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 68 A 7.77 4.32 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 69 G 7.81 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 70 A 8.38 4.31 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 71 E 9.12 4.13 0.00 1.92 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 2.34 2.29 0.00 72 E 7.62 4.82 0.00 2.00 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 2.26 2.31 0.00 73 V 8.12 4.84 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 0.86 0.00 0.00 1.00 0.00 0.00 74 I 8.89 4.43 1.88 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 1.23 0.92 0.92 0.00 0.00 75 T 8.59 5.12 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 1.38 0.00 0.00 76 S 9.09 4.98 0.00 3.77 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 77 I 8.29 5.27 1.90 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 1.31 0.66 1.00 0.00 0.00 78 K 9.29 4.68 0.00 1.72 1.68 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.40 7.81 79 I 8.50 4.72 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 1.00 0.00 0.00 80 H 9.44 4.77 0.00 3.24 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.72 4.72 0.00 2.88 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 82 R 7.79 4.46 0.00 1.79 1.64 0.00 3.43 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 83 P 0.00 4.05 0.00 2.04 1.67 0.00 3.38 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.46 0.00 84 S 8.03 4.20 0.00 3.96 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 85 T 7.57 4.35 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 86 G 8.85 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 0.00 0.00 0.00 87 V 7.94 4.67 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 0.75 0.00 0.00 0.73 0.00 0.00 88 T 8.31 4.85 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 1.22 0.00 0.00 89 I 9.14 3.90 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.08 1.01 0.00 0.00 90 D 8.25 4.52 0.00 2.78 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 91 E 7.97 4.23 0.00 2.17 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 0.00 2.56 2.42 0.00 92 K 8.01 4.30 0.00 1.94 1.97 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.51 1.71 7.81 93 V 7.56 4.42 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 0.96 0.00 0.00 0.96 0.00 0.00 94 W 7.53 2.67 0.00 3.11 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 95 K 6.14 2.96 0.00 0.79 0.74 0.00 0.97 0.00 0.00 1.15 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.21 7.81 96 Y 7.17 4.77 0.00 2.94 2.82 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 97 R 7.55 4.78 0.00 2.18 2.23 0.00 3.43 0.00 0.00 3.70 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 98 D 8.95 4.57 0.00 2.71 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 99 E 8.25 4.08 0.00 1.93 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 2.19 2.05 0.00 100 Y 7.89 4.38 0.00 3.39 3.14 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 0.00 101 A 8.60 4.41 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 * Residues marked with a * may have inaccurate shift predictions.