NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 Q 4.3441 8.2027 119.1201 54.1404 30.7165 176.3033 29 E 3.7673 8.4382 118.4637 59.6986 29.7221 175.8547 30 L 4.5230 7.9662 116.3964 54.0468 42.9465 175.3900 31 K 3.9190 7.6491 121.3615 58.1046 32.1765 177.0251 32 G 3.8792 8.7713 113.3275 45.9492 0.0000 173.6951 33 K 4.6389 7.9681 117.6681 56.3895 33.3678 175.7399 34 Y 5.2997 6.9338 115.0052 56.1052 39.6826 173.2166 *36 K 4.1641 8.4530 119.7490 57.0056 33.3851 175.9025 37 T 4.6897 7.9957 115.0776 58.7202 71.5738 173.1935 38 P 4.2079 0.0000 0.0000 65.3327 31.4871 177.6513 39 T 4.4982 7.8037 106.6368 60.6407 71.0178 176.4139 40 G 4.1842 6.3945 114.1410 46.6034 0.0000 175.1968 41 Y 4.9869 7.3934 120.9323 56.0090 42.3018 173.2536 42 L 5.1796 8.2077 121.7747 52.1117 45.2295 175.0193 *44 V 3.9852 8.0128 118.6011 62.8625 31.8896 174.7348 45 L 4.6638 8.8679 128.7097 54.0556 43.8367 176.0719 46 R 4.9326 9.1318 119.6790 53.8218 34.8216 174.2739 47 H 4.4285 8.2823 117.8180 57.8326 29.7240 174.9870 48 G 3.9547 9.1837 115.7988 45.3123 0.0000 173.2724 49 D 4.3018 8.1134 121.3241 54.0540 41.3668 175.0260 50 N 4.8646 8.5895 123.0785 52.6267 39.2918 175.5541 51 V 3.4751 8.7885 126.6937 66.2343 31.6314 178.0109 52 L 3.9029 7.6990 118.2075 57.7567 41.4141 179.3533 53 Q 4.1856 8.0766 118.9446 58.5168 28.6085 178.4208 54 N 4.2556 8.3086 117.6452 56.0908 38.4832 177.5225 55 L 3.7102 7.8048 120.5500 57.5281 41.2151 179.2013 56 E 3.7186 8.1983 118.8200 59.5172 29.3853 179.2983 57 Q 3.8903 8.1798 119.6538 58.8922 28.9910 177.8709 58 L 3.5312 7.9331 121.3903 57.9114 42.0227 178.7320 59 A 3.9512 7.8532 120.6334 55.3635 18.3992 179.9269 60 R 4.1261 8.0282 116.4354 59.6179 29.9679 179.1000 61 D 4.3861 8.3373 118.0361 56.6605 40.9336 177.0392 62 E 4.4254 8.1854 115.7203 55.4155 30.1308 175.3101 63 H 4.1689 7.3396 113.9647 56.5831 26.8845 175.7357 64 I 3.9682 7.8637 119.1999 61.1481 37.8258 175.2219 65 P 4.5236 0.0000 0.0000 65.2926 31.6354 176.0988 66 S 5.2436 7.7890 109.6905 58.1787 66.1121 173.2716 67 A 4.3615 8.6601 120.4145 51.4621 22.9245 175.5945 68 S 5.2552 8.2445 115.5688 57.3209 65.9483 173.4671 69 F 5.9990 8.1622 115.3513 56.3946 41.5229 173.3944 70 V 4.8860 8.3062 111.8009 60.2598 36.3035 174.3673 71 G 4.4957 8.3134 107.9298 46.2715 0.0000 171.7549 72 I 4.7146 8.5010 112.6201 59.2331 41.5512 175.3868 73 G 4.1637 7.4786 108.1559 46.0456 0.0000 170.7046 74 F 5.2790 7.9138 120.8308 55.3066 43.1596 176.6902 *76 S 4.6036 8.8099 113.9395 58.0779 65.4657 173.5551 77 E 5.3297 7.8283 115.0657 54.8058 33.3430 174.3790 78 A 4.8274 9.2248 123.2321 50.6578 22.7706 174.8807 79 T 5.0102 8.7419 119.7732 61.8103 71.3893 173.8101 80 F 5.2300 9.4133 125.0472 55.7627 42.5821 174.7645 81 G 4.5238 9.1127 106.7586 44.6459 0.0000 171.8817 82 F 5.0777 9.3957 126.1074 56.1811 41.3981 173.7538 83 Y 3.9886 8.0670 128.0862 57.2379 40.2533 173.4714 84 D 4.5324 7.7073 127.0649 52.4477 41.9717 176.8334 85 F 3.9298 8.7949 126.2557 60.1640 39.4275 177.5013 86 G 3.7261 8.3510 109.1107 47.8168 0.0000 174.1895 87 R 4.3214 7.8521 112.7896 54.6731 30.1753 175.6372 88 K 3.5046 7.4593 115.6180 56.4071 29.9924 175.1643 89 Q 4.5704 6.3903 114.8415 54.3491 33.8327 175.1338 90 F 4.7902 8.7645 121.1631 57.3343 40.1506 174.5827 91 D 4.7729 9.2858 124.5600 53.2285 41.9943 173.7138 92 P 5.4876 0.0000 0.0000 61.7580 33.9237 174.8085 93 K 4.6006 9.0451 121.1955 55.4455 35.9397 174.6149 94 T 5.1138 8.4432 123.3932 62.0374 70.8937 173.0475 95 Y 4.7420 9.2683 123.7479 56.2603 40.9704 174.9046 96 R 4.8896 8.5389 121.0207 54.9207 32.9395 175.5865 97 N 3.8602 8.1898 118.2738 54.6233 36.7730 174.0846 98 V 4.6241 6.3474 110.6725 59.2577 36.3239 177.1757 99 E 4.4254 8.5980 125.6312 56.3172 29.6564 178.1413 *101 A 4.2535 8.4939 122.7218 53.3858 20.8727 175.4181 102 N 5.0726 7.4454 111.2155 54.4195 43.1463 173.1101 *104 T 4.3326 8.3857 113.5188 64.0251 70.4384 173.9609 105 G 3.8110 7.4531 111.0047 45.9645 0.0000 171.9138 106 S 5.1138 8.3703 113.3128 56.6526 67.1182 172.9881 107 I 4.7695 8.7830 122.3307 60.0415 39.3648 174.8378 108 A 4.8143 8.2241 127.9745 51.0182 22.5530 174.4413 109 W 5.3574 8.7605 112.9601 55.3326 33.9796 175.2951 110 K 4.7271 9.3908 123.3673 56.4378 34.7752 176.0407 111 E 3.7828 10.0364 126.3234 57.6210 26.9372 175.7703 112 G 4.0645 8.7036 105.1510 45.4469 0.0000 174.0370 113 K 4.9073 7.8208 119.1021 53.5422 34.7865 173.8434 114 P 3.6438 0.0000 0.0000 62.6615 32.2776 176.3866 115 S 4.3968 8.7601 117.9845 56.5451 64.3847 172.0464 116 I 4.6305 8.0926 127.1442 60.3559 38.5379 174.8425 117 H 4.9465 9.2079 126.2732 54.4139 32.1271 172.1606 118 A 5.1037 8.4762 126.7457 50.5293 22.6319 174.0757 119 H 5.5134 9.0686 117.7299 54.3486 32.4204 173.2824 120 G 4.4643 9.2281 106.3090 45.6422 0.0000 171.7961 121 T 5.0893 9.0181 116.2266 61.6972 72.0506 173.9215 122 V 4.8466 8.9723 119.6137 59.8102 35.8877 174.8092 123 T 5.2716 9.2075 112.3444 59.5983 72.6359 172.9156 124 D 5.2567 8.1401 121.9839 52.2443 41.5159 176.4639 125 G 3.3985 8.5695 106.8733 47.6299 0.0000 174.2430 126 T 4.1193 8.2302 109.8146 61.7125 69.3396 175.8988 127 F 3.8203 7.6182 119.4142 57.8826 37.6109 175.0015 128 Q 4.2561 8.0063 121.2697 55.7136 29.6529 175.6458 129 G 4.0602 8.6053 110.0788 45.6952 0.0000 172.4693 130 A 4.4816 8.6199 123.1735 49.5061 23.0096 176.1086 131 G 2.4716 8.5978 105.6749 45.8763 0.0000 169.5654 132 G 3.8596 7.5623 109.7243 44.3804 0.0000 172.7941 133 H 4.5465 9.0648 124.7278 56.0386 30.9886 174.9634 134 L 4.2797 8.6721 127.1302 54.6698 41.5870 176.9380 135 L 4.1689 8.4850 123.9512 55.9813 43.0288 177.0780 136 G 4.0767 7.4060 103.6195 46.0223 0.0000 172.3222 137 L 4.9236 7.3669 118.5620 54.9518 43.2534 173.6661 138 T 4.9989 8.5855 117.4427 61.4802 72.2750 173.6640 139 V 3.8187 8.8690 127.2678 62.9287 32.4661 174.9339 140 G 4.4306 8.9003 118.7873 46.4718 0.0000 175.7938 141 T 4.5069 8.8774 107.5547 58.7099 68.0200 175.4998 142 G 4.1084 7.3825 119.7635 46.7175 0.0000 168.7723 143 S 4.8306 7.9064 116.2117 57.4934 67.4614 172.7764 144 C 5.1021 8.9683 119.1469 58.0183 34.6628 172.3056 145 E 4.8854 9.0833 126.4311 55.1234 30.8658 175.2536 146 I 5.0329 8.2660 124.2735 59.8584 41.3382 174.2371 147 T 4.7296 9.1798 124.7292 62.0853 70.3684 173.7135 148 V 4.8609 8.9003 127.8126 61.3947 34.2277 174.3167 149 T 4.8248 8.8205 125.3240 62.0396 70.2074 173.5978 150 V 4.4098 8.1981 127.3454 61.5599 32.8111 174.7204 151 Y 5.2227 8.3590 125.5551 55.7289 39.9408 174.4784 152 P 4.4568 0.0000 0.0000 64.7032 32.1259 176.4599 153 Q 4.2535 7.9863 118.9026 54.8041 29.3725 175.2569 154 R 4.2718 8.6351 123.8634 56.1859 30.7409 175.1675 155 L 5.0125 8.6997 125.0327 53.1654 45.0536 175.5066 156 D 5.6314 8.7655 121.4602 53.0108 43.9882 175.5305 157 R 5.1779 8.8235 120.3553 55.3103 31.9405 175.8627 158 F 5.0272 8.5238 115.8652 55.1166 42.1271 173.6256 159 V 4.0576 8.4241 120.3227 62.6032 32.1632 175.0514 160 D 4.9005 8.8809 129.7231 52.9008 41.0705 175.1900 161 P 4.4351 0.0000 0.0000 65.0869 31.6293 177.6440 162 E 4.1598 8.7291 119.1149 58.2749 29.4544 177.3853 163 I 4.3032 7.4165 108.4523 59.1517 39.2087 174.8181 164 Q 3.5712 8.6054 119.2299 56.8574 26.4075 172.9214 165 A 4.6671 7.4201 116.7130 50.0075 23.3902 176.3383 166 N 4.6777 8.5134 117.5264 53.3424 39.3626 174.9361 167 V 4.3134 8.1128 122.6625 60.5480 35.5417 174.0972 168 L 4.4132 8.5175 128.6734 54.9269 42.6433 176.3359 169 G 4.2305 9.1999 114.7000 45.8229 0.0000 173.0579 170 L 4.9480 8.3938 123.6638 51.7964 44.5054 174.8417 171 P 4.4153 0.0000 0.0000 63.1429 31.2112 176.4759 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 28 Q 8.20 4.34 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.81 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 29 E 8.44 3.77 0.00 1.99 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 2.29 2.38 0.00 30 L 7.97 4.52 0.00 1.91 1.94 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.65 3.92 0.00 1.97 1.81 0.00 1.99 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.28 7.81 32 G 8.77 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 33 K 7.97 4.64 0.00 1.97 1.90 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.52 7.81 34 Y 6.93 5.30 0.00 3.14 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 *36 K 8.45 4.16 0.00 1.93 1.84 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.20 7.81 37 T 8.00 4.69 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 1.23 0.00 0.00 38 P 0.00 4.21 0.00 2.04 2.15 0.00 3.64 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 2.02 2.07 0.00 39 T 7.80 4.50 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 1.21 0.00 0.00 40 G 6.39 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 41 Y 7.39 4.99 0.00 2.96 2.85 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 0.00 0.00 0.00 42 L 8.21 5.18 0.00 1.73 1.58 1.00 1.07 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 *44 V 8.01 3.99 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 0.85 0.00 0.00 0.96 0.00 0.00 45 L 8.87 4.66 0.00 1.60 1.67 0.85 0.58 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 46 R 9.13 4.93 0.00 1.66 1.83 0.00 3.35 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 47 H 8.28 4.43 0.00 3.06 3.28 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 9.18 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 49 D 8.11 4.30 0.00 2.77 2.58 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 50 N 8.59 4.86 0.00 2.67 2.66 0.00 0.00 6.85 7.71 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 51 V 8.79 3.48 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 0.87 0.00 0.00 0.88 0.00 0.00 52 L 7.70 3.90 0.00 1.63 1.60 0.83 1.07 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 53 Q 8.08 4.19 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 54 N 8.31 4.26 0.00 2.85 2.76 0.00 0.00 7.01 6.35 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 55 L 7.80 3.71 0.00 1.60 1.38 0.18 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.20 3.72 0.00 2.07 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 2.16 2.33 0.00 57 Q 8.18 3.89 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 58 L 7.93 3.53 0.00 1.45 1.49 -0.61 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.85 3.95 1.08 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 0.00 0.00 60 R 8.03 4.13 0.00 2.03 2.04 0.00 3.20 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 61 D 8.34 4.39 0.00 2.57 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 62 E 8.19 4.43 0.00 1.83 1.98 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 1.93 1.50 0.00 63 H 7.34 4.17 0.00 3.36 3.35 0.00 5.86 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 64 I 7.86 3.97 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.52 1.06 0.00 0.00 65 P 0.00 4.52 0.00 2.55 2.21 0.00 3.88 0.00 0.00 4.08 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 66 S 7.79 5.24 0.00 4.15 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 0.00 67 A 8.66 4.36 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 68 S 8.24 5.26 0.00 3.83 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 69 F 8.16 6.00 0.00 3.13 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 70 V 8.31 4.89 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 0.74 0.00 0.00 0.98 0.00 0.00 71 G 8.31 4.50 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 0.00 72 I 8.50 4.71 1.92 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 1.20 0.87 1.00 0.00 0.00 73 G 7.48 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 0.00 0.00 0.00 74 F 7.91 5.28 0.00 3.26 2.92 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 *76 S 8.81 4.60 0.00 3.95 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 77 E 7.83 5.33 0.00 2.02 1.99 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 2.15 2.21 0.00 78 A 9.22 4.83 1.15 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 79 T 8.74 5.01 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 1.17 0.00 0.00 80 F 9.41 5.23 0.00 3.08 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 81 G 9.11 4.52 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 0.00 0.00 0.00 82 F 9.40 5.08 0.00 3.22 3.03 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 83 Y 8.07 3.99 0.00 2.33 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 0.00 0.00 0.00 0.00 84 D 7.71 4.53 0.00 2.52 2.28 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 85 F 8.79 3.93 0.00 3.07 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 86 G 8.35 3.73 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 0.00 0.00 0.00 87 R 7.85 4.32 0.00 1.84 1.94 0.00 3.14 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 0.00 88 K 7.46 3.50 0.00 1.90 1.91 0.00 1.66 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.32 7.81 89 Q 6.39 4.57 0.00 1.79 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.12 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 90 F 8.76 4.79 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.29 4.77 0.00 2.87 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 92 P 0.00 5.49 0.00 2.13 2.07 0.00 3.85 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 1.94 1.98 0.00 93 K 9.05 4.60 0.00 1.84 1.77 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.89 1.20 7.81 94 T 8.44 5.11 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 1.18 0.00 0.00 95 Y 9.27 4.74 0.00 3.01 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 96 R 8.54 4.89 0.00 1.66 1.80 0.00 3.34 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 97 N 8.19 3.86 0.00 2.92 2.97 0.00 0.00 6.72 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 98 V 6.35 4.62 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 0.94 0.00 0.00 0.88 0.00 0.00 99 E 8.60 4.43 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 2.57 2.50 0.00 *101 A 8.49 4.25 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 0.00 102 N 7.45 5.07 0.00 2.78 2.68 0.00 0.00 7.06 7.10 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 *104 T 8.39 4.33 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 1.09 0.00 0.00 105 G 7.45 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 0.00 106 S 8.37 5.11 0.00 3.92 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 0.00 107 I 8.78 4.77 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.86 0.69 0.00 0.00 108 A 8.22 4.81 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 0.00 109 W 8.76 5.36 0.00 3.46 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 0.00 110 K 9.39 4.73 0.00 1.77 1.64 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.48 7.81 111 E 10.04 3.78 0.00 2.19 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 2.34 0.00 112 G 8.70 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 0.00 0.00 0.00 113 K 7.82 4.91 0.00 1.99 1.73 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.62 7.81 114 P 0.00 3.64 0.00 1.56 1.14 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00 115 S 8.76 4.40 0.00 3.75 3.63 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 0.00 116 I 8.09 4.63 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.83 1.01 0.00 0.00 117 H 9.21 4.95 0.00 3.14 3.08 0.00 5.54 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 0.00 118 A 8.48 5.10 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 0.00 119 H 9.07 5.51 0.00 2.96 3.26 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 9.23 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.02 5.09 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 1.17 0.00 0.00 122 V 8.97 4.85 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 0.88 0.00 0.00 0.67 0.00 0.00 123 T 9.21 5.27 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 0.00 124 D 8.14 5.26 0.00 2.77 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 0.00 125 G 8.57 3.40 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 0.00 0.00 0.00 126 T 8.23 4.12 4.28 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 1.22 0.00 0.00 127 F 7.62 3.82 0.00 3.24 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 0.00 128 Q 8.01 4.26 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 129 G 8.61 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 A 8.62 4.48 0.67 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 0.00 131 G 8.60 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 0.00 0.00 0.00 132 G 7.56 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 0.00 133 H 9.06 4.55 0.00 3.33 3.51 0.00 5.86 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 0.00 134 L 8.67 4.28 0.00 1.61 1.39 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.48 4.17 0.00 1.43 1.55 0.87 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 136 G 7.41 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 0.00 0.00 0.00 137 L 7.37 4.92 0.00 1.69 1.53 0.85 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 138 T 8.59 5.00 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 1.22 0.00 0.00 139 V 8.87 3.82 2.28 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 1.05 0.00 0.00 0.96 0.00 0.00 140 G 8.90 4.43 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 0.00 141 T 8.88 4.51 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 1.16 0.00 0.00 142 G 7.38 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 0.00 0.00 0.00 143 S 7.91 4.83 0.00 4.00 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 0.00 144 C 8.97 5.10 0.00 2.98 2.75 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 0.00 145 E 9.08 4.89 0.00 2.00 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 2.29 2.30 0.00 146 I 8.27 5.03 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.00 0.81 0.00 0.00 147 T 9.18 4.73 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 1.25 0.00 0.00 148 V 8.90 4.86 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 1.04 0.00 0.00 0.91 0.00 0.00 149 T 8.82 4.82 4.13 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 0.00 0.00 1.21 0.00 0.00 150 V 8.20 4.41 1.99 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 0.81 0.00 0.00 1.00 0.00 0.00 151 Y 8.36 5.22 0.00 2.95 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 0.00 152 P 0.00 4.46 0.00 2.23 2.23 0.00 3.93 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 153 Q 7.99 4.25 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 154 R 8.64 4.27 0.00 1.72 1.84 0.00 2.86 0.00 0.00 2.78 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 155 L 8.70 5.01 0.00 1.76 1.64 1.03 1.43 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 0.00 156 D 8.77 5.63 0.00 2.78 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 0.00 157 R 8.82 5.18 0.00 1.70 1.80 0.00 3.08 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 158 F 8.52 5.03 0.00 3.08 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 0.00 159 V 8.42 4.06 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 0.76 0.00 0.00 0.93 0.00 0.00 160 D 8.88 4.90 0.00 2.56 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 0.00 161 P 0.00 4.44 0.00 2.25 2.22 0.00 3.97 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 162 E 8.73 4.16 0.00 2.39 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 2.34 2.12 0.00 163 I 7.42 4.30 1.77 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 1.54 0.81 0.83 0.00 0.00 164 Q 8.61 3.57 0.00 2.44 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 165 A 7.42 4.67 1.19 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 0.00 166 N 8.51 4.68 0.00 2.48 2.62 0.00 0.00 6.65 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 0.00 167 V 8.11 4.31 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 0.97 0.00 0.00 0.72 0.00 0.00 168 L 8.52 4.41 0.00 1.71 1.60 1.01 1.09 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 0.00 169 G 9.20 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 0.00 170 L 8.39 4.95 0.00 1.64 1.58 0.92 1.08 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 0.00 171 P 0.00 4.42 0.00 2.03 1.98 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.