NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 S 4.3256 8.3231 115.2893 57.7794 63.5267 172.2039 30 G 3.7194 8.2350 110.9454 44.0113 0.0000 171.5740 31 I 3.6766 8.3934 120.1281 61.6039 38.2648 174.0443 32 S 4.7173 8.5759 119.3020 56.5275 64.2110 173.2680 33 L 4.3220 8.6243 126.8329 54.5474 42.9104 176.1626 34 D 4.3807 7.8712 116.2535 55.5024 38.0079 173.8093 35 N 4.6511 8.0886 114.6182 53.6370 39.7599 175.9350 36 S 4.6853 7.4931 111.7422 55.8558 66.0051 173.4841 37 Y 4.2132 8.3969 120.0504 57.9906 38.1877 176.2213 38 K 4.1950 8.8817 124.7544 57.1307 32.1279 176.2212 39 M 4.8921 8.7612 126.2852 55.3092 32.6294 175.8281 40 D 4.9124 7.9806 116.0840 53.2289 39.8298 175.8311 41 Y 4.1758 7.6635 116.8338 57.7999 38.4552 174.2950 42 P 4.4898 0.0000 0.0000 65.3716 31.9361 176.8409 43 E 4.7064 8.4648 117.4831 54.5920 32.8781 177.5527 44 M 3.7274 8.4479 122.5078 58.4157 33.4549 175.5406 45 G 4.1760 7.5507 102.3226 44.1983 0.0000 172.1129 46 L 4.9272 8.5152 118.6818 54.2068 43.8826 176.2803 47 C 4.5256 8.8036 121.5409 57.5854 33.9331 172.1503 48 I 4.4955 8.2550 128.0284 60.1933 38.5182 174.9486 49 I 4.6245 8.7701 129.0007 59.6367 39.5669 174.8990 50 I 4.6136 8.7680 129.7326 60.0237 38.7633 174.6725 51 N 4.9987 9.3767 128.5755 52.0172 39.6543 172.4845 52 N 4.9144 8.8395 123.2895 51.8337 39.1398 174.3594 53 K 4.3949 9.4908 125.7765 57.1497 33.8935 175.6235 54 N 5.2250 8.0731 114.9872 51.4355 40.1449 174.0809 55 F 4.8452 8.6713 121.1737 55.3133 42.1528 175.1222 56 H 4.3146 9.0307 121.0424 55.9220 29.3537 176.5025 57 K 3.8738 9.1081 125.3442 59.7084 32.0198 178.7600 58 S 4.2687 8.1332 111.7852 61.1100 62.9360 175.3262 59 T 4.0012 7.9873 110.6370 62.3300 68.8916 175.7780 60 G 3.8567 8.0345 109.4311 46.1283 0.0000 173.0149 61 M 4.0740 7.5085 118.6611 53.7292 33.0155 176.5518 62 T 4.2489 7.8065 112.9327 60.7690 70.0939 174.4843 63 S 4.6874 8.4100 117.4981 58.7203 64.2657 175.3737 64 R 4.3513 8.6992 124.2643 54.2106 28.4143 175.2182 65 S 4.2910 7.8992 115.3571 60.2717 63.6925 175.3151 66 G 4.0084 8.9686 113.1101 45.6877 0.0000 175.1067 67 T 3.9078 7.8219 113.6318 64.9889 67.2014 175.7966 68 D 4.3495 8.0740 120.7000 56.9852 40.8657 178.5716 69 V 3.5905 7.5901 119.1716 66.0099 31.4638 177.8227 70 D 4.3358 8.0018 117.8887 57.3510 40.7481 178.4029 71 A 3.9623 8.3341 121.3287 55.1868 18.3880 179.6046 72 A 3.9395 8.1941 119.3078 55.1764 18.3992 179.3642 73 N 4.2509 8.2395 115.6071 56.8236 38.9633 177.1526 74 L 4.0739 8.1980 120.5655 57.7180 41.7322 179.2967 75 R 3.9155 8.1452 118.7221 59.5935 30.0124 178.2144 76 E 3.9484 8.2559 118.9257 59.4477 29.7945 178.7858 77 T 3.7305 8.0607 115.8668 66.8503 68.5427 176.6649 78 F 4.2035 8.4762 119.2962 59.7855 38.8751 177.9570 79 R 3.9843 7.9909 119.0546 59.5435 29.7340 178.1578 80 N 4.4968 8.1031 114.4987 55.2035 38.5960 176.2775 81 L 4.4460 7.2095 117.7602 53.8672 42.0592 176.5957 82 K 3.9993 7.9998 117.3840 57.5802 29.7226 175.5856 83 Y 4.3545 8.1153 115.6911 57.1836 39.5731 175.9501 84 E 4.2948 9.2633 124.6498 55.5023 29.8706 174.9391 85 V 4.4892 8.2179 126.7150 62.2270 32.9104 175.1442 86 R 4.6068 8.9299 126.3927 54.5899 33.2306 173.9627 87 N 5.3025 8.8290 121.7687 51.6632 40.5208 174.7345 88 K 4.6652 9.2543 122.8860 54.6108 35.6076 174.8307 89 N 5.2289 8.7847 121.4234 52.1988 41.0642 174.5440 90 D 4.1891 8.1549 120.3346 55.2652 38.8672 173.2605 91 L 4.6983 8.6865 120.4654 53.4290 43.8317 177.5948 92 T 4.7706 9.0540 115.5842 60.4351 71.0560 176.0055 93 R 3.9469 9.3813 118.8427 59.5801 29.1607 178.9116 94 E 3.9734 8.1056 118.6872 59.3212 29.4960 179.0404 95 E 3.9946 8.2647 118.6145 59.1767 29.4212 179.5325 96 I 3.7246 7.9289 120.0610 64.4351 37.1618 178.6149 97 V 3.7454 7.7768 119.0231 65.9296 31.2708 177.6400 98 E 3.8053 8.3756 119.1700 59.0655 29.4225 178.4593 99 L 3.9009 8.1734 120.6534 58.5583 42.1511 178.8888 100 M 4.1780 8.1454 118.5748 58.2605 31.6725 178.7193 101 R 2.5100 7.1526 117.7479 59.0472 30.6161 177.8916 102 D 4.3735 7.9899 118.8546 57.4169 40.8297 179.0891 103 V 3.6426 8.0265 119.2211 65.9654 31.3750 178.1328 104 S 3.9314 7.7651 112.5030 60.2183 62.7864 175.4584 105 K 4.2892 7.2084 119.9504 55.5483 32.3372 176.4181 106 E 4.1032 7.2181 119.5326 55.6458 30.2031 176.1323 107 D 4.5486 8.2767 120.2345 54.0175 40.6691 175.1191 108 H 4.7499 8.5624 123.3346 55.7137 29.1415 177.3291 109 S 4.0598 8.3825 118.4710 61.8436 62.8636 175.7883 110 K 4.5835 8.0457 116.9279 56.3508 31.9837 175.5383 111 R 5.0622 7.5631 118.7421 54.6471 31.3366 176.8893 112 S 4.2058 8.9407 120.1357 61.5308 63.7838 173.7874 113 S 4.6480 7.9808 112.6417 57.7556 66.6252 173.0867 114 F 5.0302 8.7729 120.7888 56.8033 42.8741 173.8740 115 V 4.0698 7.4516 124.6560 60.8003 34.8629 173.5873 116 C 4.6410 7.9782 127.1664 57.3159 34.8277 172.4131 117 V 4.6903 8.8639 126.1960 60.9815 33.9307 173.9364 118 L 4.9775 9.1039 128.0442 52.9669 44.5008 175.3679 119 L 5.0384 8.4421 124.5857 53.9403 44.4824 175.6115 120 S 4.8630 8.2528 117.9532 58.2046 67.2156 174.6661 121 H 4.5943 8.7578 117.1885 56.1427 29.9205 174.7475 122 G 4.6057 8.1984 105.9768 46.5163 0.0000 171.4309 123 E 4.9353 8.6805 118.2340 54.2217 34.9550 174.7198 124 E 3.9222 8.8597 121.2043 58.1810 29.6435 176.9319 125 G 3.9717 9.1002 113.4778 45.7124 0.0000 172.0867 126 I 5.0175 8.0375 120.1375 59.2293 41.4804 174.2252 127 I 4.9075 8.5623 124.9820 59.2957 41.3426 173.9608 128 F 4.9549 9.2403 127.7948 56.4286 40.0304 176.4556 129 G 4.0589 9.5924 114.1653 44.4091 0.0000 174.5791 130 T 3.8181 8.5702 109.1518 63.3904 68.7255 175.5075 131 N 4.9901 9.1990 117.2833 51.1750 38.0799 173.9655 132 G 4.3249 7.1746 110.2085 44.5471 0.0000 170.1996 133 P 4.2241 0.0000 0.0000 62.3238 32.4877 175.9565 134 V 4.4114 8.4101 120.3451 61.0642 35.3505 174.2403 135 D 4.7223 8.6480 127.6056 54.1705 41.4382 177.4755 136 L 3.9669 8.9676 124.0842 57.7604 41.6228 179.7231 137 K 3.8704 7.9127 120.4727 58.6847 31.8394 178.5935 138 K 3.7444 7.5482 118.9363 59.2495 32.3908 178.7306 139 I 4.1842 7.6177 119.8876 64.7969 36.7283 178.4528 140 T 3.9783 8.0044 110.6166 64.6491 68.5310 176.2437 141 N 4.2763 8.1834 119.4423 56.2212 38.2223 177.1325 142 F 4.2434 7.3776 116.9214 59.6630 38.8880 176.0259 143 F 4.6521 7.8457 114.9626 56.8882 39.3398 176.1865 144 R 4.1043 7.8031 121.3087 56.2668 30.4068 177.9463 145 G 3.8095 8.7982 109.5230 48.2749 0.0000 174.0976 146 D 4.6632 8.0109 116.8648 53.7165 40.3218 177.1013 147 R 4.3978 7.8018 117.6326 56.6105 31.4047 176.1449 148 C 4.6730 7.5057 117.4852 56.7771 31.6779 173.9009 149 R 4.4033 8.4516 123.6898 58.0262 30.1336 178.5644 150 S 4.4812 8.0220 109.7551 59.1597 63.4807 174.2312 151 L 4.6297 7.8415 120.3110 54.4981 43.2018 176.4197 152 T 4.0358 7.4978 117.8507 65.0507 68.6660 175.3924 153 G 4.1490 9.0800 113.7193 45.3256 0.0000 172.9466 154 K 4.7435 7.7411 118.7763 53.3762 34.9350 174.4723 155 P 4.0826 0.0000 0.0000 62.7770 32.4828 175.1030 156 K 4.6294 8.6887 123.1522 54.7918 34.2170 175.1800 157 L 4.6506 8.6519 126.5419 52.8497 43.8999 175.7711 158 F 4.8744 8.8919 122.3462 55.7241 41.5788 174.6480 159 I 4.3959 8.6419 125.8670 59.6453 39.1095 174.9173 160 I 4.7951 8.4660 128.1492 59.7225 39.6964 175.4161 161 Q 4.4936 8.8606 130.6505 55.0251 29.4599 173.9568 162 A 4.8750 7.8118 124.7537 51.6029 21.8771 175.4697 163 C 4.3395 8.9144 117.1727 59.6678 29.1272 173.9207 164 R 4.5999 9.6171 118.6837 54.0327 31.2462 177.0497 165 G 3.8309 6.9856 105.4795 45.7711 0.0000 174.0287 166 T 4.5996 7.9650 115.1654 61.2451 69.4240 173.6473 167 E 4.2955 8.1157 120.6954 56.3665 30.3529 175.8960 168 L 4.6482 8.1997 121.1740 52.8998 44.4026 175.7678 169 D 4.6767 8.5235 122.9131 52.8016 41.1349 176.0325 170 C 4.1010 8.6739 122.6294 58.9375 30.0170 174.7870 171 G 3.9614 8.6437 109.7505 44.8133 0.0000 172.5387 172 I 4.4911 7.7667 117.4473 58.7866 40.7817 173.9996 173 E 3.9500 8.8903 129.1638 56.5679 29.8805 176.4106 174 T 4.2592 8.2738 118.9629 60.8588 71.2051 175.0083 *175 D 4.4254 8.3964 119.0709 53.5970 40.5341 171.9662 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 29 S 8.32 4.33 0.00 3.84 3.87 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 30 G 8.23 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 31 I 8.39 3.68 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 1.30 0.84 0.91 0.00 0.00 32 S 8.58 4.72 0.00 3.78 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 33 L 8.62 4.32 0.00 1.66 1.68 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.87 4.38 0.00 2.79 2.70 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 35 N 8.09 4.65 0.00 2.68 2.83 0.00 0.00 6.96 7.57 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 36 S 7.49 4.69 0.00 3.95 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 37 Y 8.40 4.21 0.00 3.05 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 38 K 8.88 4.19 0.00 1.80 1.98 0.00 1.57 0.00 0.00 1.40 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.48 7.81 39 M 8.76 4.89 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.78 0.00 40 D 7.98 4.91 0.00 2.73 2.71 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 41 Y 7.66 4.18 0.00 3.07 3.16 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 42 P 0.00 4.49 0.00 1.98 2.17 0.00 4.02 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 43 E 8.46 4.71 0.00 2.00 1.75 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 2.20 2.25 0.00 44 M 8.45 3.73 0.00 0.68 1.69 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.31 0.00 45 G 7.55 4.18 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 0.00 46 L 8.52 4.93 0.00 1.86 1.68 1.15 0.72 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 47 C 8.80 4.53 0.00 2.48 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 4.50 1.78 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.11 0.94 0.00 0.00 49 I 8.77 4.62 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.48 0.87 0.00 0.00 50 I 8.77 4.61 1.90 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 1.13 0.67 0.93 0.00 0.00 51 N 9.38 5.00 0.00 2.76 2.85 0.00 0.00 6.77 6.72 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 52 N 8.84 4.91 0.00 2.84 2.32 0.00 0.00 6.75 6.90 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 53 K 9.49 4.39 0.00 1.73 1.74 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.59 7.81 54 N 8.07 5.22 0.00 2.81 2.73 0.00 0.00 6.73 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 55 F 8.67 4.85 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 56 H 9.03 4.31 0.00 3.31 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.11 3.87 0.00 1.85 1.86 0.00 1.63 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.54 7.81 58 S 8.13 4.27 0.00 4.06 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 59 T 7.99 4.00 4.32 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 1.42 0.00 0.00 60 G 8.03 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 61 M 7.51 4.07 0.00 1.11 1.58 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.98 0.00 62 T 7.81 4.25 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 1.15 0.00 0.00 63 S 8.41 4.69 0.00 4.08 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 64 R 8.70 4.35 0.00 1.99 1.93 0.00 2.89 0.00 0.00 3.61 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.66 0.00 65 S 7.90 4.29 0.00 3.86 3.83 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 66 G 8.97 4.01 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 0.00 0.00 0.00 67 T 7.82 3.91 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 1.31 0.00 0.00 68 D 8.07 4.35 0.00 2.73 2.70 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 69 V 7.59 3.59 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 1.03 0.00 0.00 0.93 0.00 0.00 70 D 8.00 4.34 0.00 2.94 2.71 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 71 A 8.33 3.96 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 72 A 8.19 3.94 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 73 N 8.24 4.25 0.00 2.96 2.95 0.00 0.00 7.24 6.13 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 74 L 8.20 4.07 0.00 1.92 1.81 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.15 3.92 0.00 2.00 2.12 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 76 E 8.26 3.95 0.00 2.14 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 2.30 2.38 0.00 77 T 8.06 3.73 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 0.82 0.00 0.00 78 F 8.48 4.20 0.00 3.14 3.04 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 79 R 7.99 3.98 0.00 2.10 2.16 0.00 3.11 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 80 N 8.10 4.50 0.00 2.88 2.85 0.00 0.00 7.06 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.21 4.45 0.00 2.14 1.94 0.66 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.00 4.00 0.00 1.85 1.93 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.53 7.81 83 Y 8.12 4.35 0.00 3.14 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 84 E 9.26 4.29 0.00 2.04 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 2.31 2.27 0.00 85 V 8.22 4.49 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 0.82 0.00 0.00 1.13 0.00 0.00 86 R 8.93 4.61 0.00 1.75 1.79 0.00 3.19 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 87 N 8.83 5.30 0.00 2.59 2.73 0.00 0.00 6.96 7.61 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 88 K 9.25 4.67 0.00 1.57 1.66 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.53 7.81 89 N 8.78 5.23 0.00 2.55 2.67 0.00 0.00 7.29 8.06 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 90 D 8.15 4.19 0.00 2.69 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 91 L 8.69 4.70 0.00 1.64 1.56 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 92 T 9.05 4.77 4.51 0.00 0.00 0.00 0.00 0.00 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 93 R 9.38 3.95 0.00 2.01 2.43 0.00 2.79 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 94 E 8.11 3.97 0.00 2.09 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 2.48 0.00 95 E 8.26 3.99 0.00 2.24 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 2.33 2.35 0.00 96 I 7.93 3.72 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.82 1.00 0.00 0.00 97 V 7.78 3.75 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 1.29 0.00 0.00 1.10 0.00 0.00 98 E 8.38 3.81 0.00 2.16 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 2.39 2.28 0.00 99 L 8.17 3.90 0.00 1.87 1.90 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 100 M 8.15 4.18 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 3.02 0.00 101 R 7.15 2.51 0.00 0.90 1.70 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.34 0.00 102 D 7.99 4.37 0.00 2.82 2.64 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 0.00 103 V 8.03 3.64 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 1.23 0.00 0.00 1.05 0.00 0.00 104 S 7.77 3.93 0.00 3.46 2.71 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 0.00 105 K 7.21 4.29 0.00 1.83 1.81 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.51 7.81 106 E 7.22 4.10 0.00 1.99 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 2.29 2.38 0.00 107 D 8.28 4.55 0.00 2.61 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 0.00 108 H 8.56 4.75 0.00 3.32 3.25 0.00 5.70 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.38 4.06 0.00 3.90 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 0.00 110 K 8.05 4.58 0.00 1.84 1.87 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.49 7.81 111 R 7.56 5.06 0.00 1.78 1.81 0.00 3.18 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 112 S 8.94 4.21 0.00 3.88 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 0.00 113 S 7.98 4.65 0.00 4.02 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 0.00 114 F 8.77 5.03 0.00 2.98 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 0.00 115 V 7.45 4.07 1.24 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 0.01 0.00 0.00 0.28 0.00 0.00 116 C 7.98 4.64 0.00 2.32 1.78 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 0.00 117 V 8.86 4.69 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 0.99 0.00 0.00 0.57 0.00 0.00 118 L 9.10 4.98 0.00 1.62 1.61 1.04 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.44 5.04 0.00 1.58 1.60 0.98 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.25 4.86 0.00 4.05 3.87 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 0.00 121 H 8.76 4.59 0.00 2.73 2.70 0.00 5.71 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 0.00 122 G 8.20 4.61 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 0.00 123 E 8.68 4.94 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 2.50 2.56 0.00 124 E 8.86 3.92 0.00 2.09 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 2.30 2.39 0.00 125 G 9.10 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 0.00 126 I 8.04 5.02 1.84 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 1.17 1.12 0.62 0.00 0.00 127 I 8.56 4.91 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.73 1.02 0.00 0.00 128 F 9.24 4.95 0.00 3.23 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 0.00 129 G 9.59 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 0.00 0.00 0.00 130 T 8.57 3.82 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 0.96 0.00 0.00 131 N 9.20 4.99 0.00 2.81 2.65 0.00 0.00 5.92 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 7.17 4.32 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 0.00 133 P 0.00 4.22 0.00 1.61 0.71 0.00 3.67 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 134 V 8.41 4.41 2.16 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 1.06 0.00 0.00 0.93 0.00 0.00 135 D 8.65 4.72 0.00 2.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.97 3.97 0.00 1.63 1.65 0.92 1.04 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 0.00 137 K 7.91 3.87 0.00 1.79 1.73 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.33 7.81 138 K 7.55 3.74 0.00 1.74 1.92 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.28 7.81 139 I 7.62 4.18 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.07 1.24 0.00 0.00 140 T 8.00 3.98 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 0.30 0.00 0.00 141 N 8.18 4.28 0.00 2.59 2.67 0.00 0.00 6.90 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 0.00 142 F 7.38 4.24 0.00 2.83 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 0.00 143 F 7.85 4.65 0.00 3.33 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 0.00 144 R 7.80 4.10 0.00 1.96 2.05 0.00 3.10 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 145 G 8.80 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 0.00 146 D 8.01 4.66 0.00 2.79 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 0.00 147 R 7.80 4.40 0.00 1.80 1.98 0.00 3.25 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 148 C 7.51 4.67 0.00 2.93 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 0.00 149 R 8.45 4.40 0.00 1.88 1.98 0.00 3.76 0.00 0.00 3.49 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 150 S 8.02 4.48 0.00 4.00 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 0.00 151 L 7.84 4.63 0.00 1.85 1.68 0.73 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 152 T 7.50 4.04 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 1.25 0.00 0.00 153 G 9.08 4.15 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 0.00 0.00 0.00 154 K 7.74 4.74 0.00 1.71 1.76 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.31 1.48 7.81 155 P 0.00 4.08 0.00 1.84 1.22 0.00 3.53 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.51 0.00 156 K 8.69 4.63 0.00 1.79 2.03 0.00 1.96 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.65 7.81 157 L 8.65 4.65 0.00 1.22 1.44 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.89 4.87 0.00 2.85 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 0.00 159 I 8.64 4.40 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.53 0.92 0.00 0.00 160 I 8.47 4.80 1.91 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 1.31 0.69 0.96 0.00 0.00 161 Q 8.86 4.49 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 162 A 7.81 4.87 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 0.00 163 C 8.91 4.34 0.00 3.09 3.06 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 0.00 164 R 9.62 4.60 0.00 1.76 2.06 0.00 3.31 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 165 G 6.99 3.83 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 0.00 166 T 7.96 4.60 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 0.00 167 E 8.12 4.30 0.00 1.99 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 2.31 2.33 0.00 168 L 8.20 4.65 0.00 1.59 1.54 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.52 4.68 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 C 8.67 4.10 0.00 3.12 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 0.00 171 G 8.64 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 0.00 172 I 7.77 4.49 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 1.30 0.75 0.91 0.00 0.00 173 E 8.89 3.95 0.00 1.95 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 2.29 2.36 0.00 174 T 8.27 4.26 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 *175 D 8.40 4.43 0.00 2.47 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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.