NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 Q 4.3223 8.2027 121.7220 55.9995 31.2615 176.7237 40 K 3.7668 8.2086 118.7937 58.6465 32.4540 176.4451 41 L 4.5226 8.9832 120.5899 58.3232 43.5799 177.0900 42 N 4.5187 8.4921 115.7197 56.4958 38.7936 177.8570 43 L 4.2424 8.2306 117.1458 55.9020 41.6115 178.5210 *45 Q 4.2569 8.1935 116.6664 55.7221 30.7862 176.4384 46 Q 4.0798 8.5727 117.1699 59.7060 29.0172 180.3492 47 T 4.2419 8.1312 109.8955 65.0344 68.3184 175.9066 *49 S 4.4077 8.1647 118.0459 58.5041 64.2841 175.8188 50 F 4.3112 8.3675 118.8157 60.6729 38.5578 177.6142 51 L 3.7366 8.1955 118.4321 58.0375 41.3955 179.8322 52 T 3.7516 7.8735 114.9563 67.0824 68.3390 176.3058 53 H 4.1983 8.2179 116.7673 58.8650 28.7357 177.4841 54 D 4.6670 8.2895 120.6045 57.5138 40.7289 178.8988 55 L 3.6781 7.8134 118.3669 57.7832 41.6153 178.4972 56 T 4.1400 7.5870 105.6297 62.3023 69.2196 174.2563 57 Q 4.3353 7.8222 122.5552 53.8200 31.3927 173.6940 *60 P 4.4079 0.0000 0.0000 62.6372 32.1582 176.5686 61 R 4.5219 7.3612 119.2658 54.3469 32.9770 173.6308 62 P 4.8212 0.0000 0.0000 63.0317 32.3567 175.9401 63 V 4.6955 8.5504 113.7799 59.8655 36.4899 174.5259 64 R 4.8316 9.2760 121.3036 54.8293 32.4164 177.6925 65 G 4.1006 9.0154 112.8576 43.7792 0.0000 173.4546 66 D 4.5449 8.6639 117.3698 55.8060 39.1747 177.6649 67 Q 4.5028 8.5119 116.2743 55.4037 29.3417 176.3316 68 G 3.9608 8.5634 107.5205 44.6244 0.0000 174.1534 69 Q 4.1593 7.6978 118.5589 55.8333 29.8674 176.0625 70 R 4.4444 8.5724 121.4197 56.9061 30.6750 175.7964 71 E 4.9028 9.2400 122.2987 53.6218 34.3060 173.4159 72 P 4.6358 0.0000 0.0000 62.9079 31.9327 176.1832 73 A 4.6497 9.1650 123.4260 54.1676 19.2151 177.1418 74 L 4.9485 8.0409 117.1002 53.3289 44.0324 174.9664 75 L 4.8248 8.7669 129.1638 53.4325 43.2795 175.4278 76 A 5.0056 8.8212 127.0566 50.4203 22.6613 175.8301 77 G 4.1974 8.7409 107.6871 43.1057 0.0000 172.1844 78 A 4.3161 8.3152 123.1471 53.6517 18.5508 178.4973 79 G 4.2360 9.1249 110.7075 44.8524 0.0000 174.0561 80 V 3.7265 7.3281 119.9324 63.8002 32.0234 175.9946 81 L 3.7768 9.1934 124.6145 56.5912 39.1589 173.9705 82 A 3.8592 8.3930 114.9285 52.7435 16.3785 178.1328 83 S 4.4690 7.9384 113.0438 60.1205 62.9240 174.8403 84 E 4.3707 8.9829 125.7464 58.0933 30.5352 177.0509 85 S 4.6053 7.3985 117.2736 57.7472 65.7743 174.0043 86 E 4.8295 9.1937 118.5082 56.1150 30.6313 175.9861 87 G 4.0977 8.6510 107.0575 45.3792 0.0000 170.5932 *89 R 4.7457 8.4869 119.1490 56.3246 31.5730 175.6202 90 F 5.4368 8.4198 119.8075 56.8102 42.0063 172.6073 91 V 4.9091 8.5493 118.8942 61.4459 33.0127 174.8774 92 R 4.9293 9.0833 122.5442 54.8927 33.1416 174.6716 93 G 4.0629 8.7479 108.7454 47.0217 0.0000 174.5837 94 G 4.3162 9.1009 111.0970 46.2650 0.0000 173.6149 95 V 3.6115 7.4209 120.2770 62.7096 31.7995 175.3896 96 V 4.3118 8.2735 127.0503 60.2382 32.9318 176.3117 97 N 5.0308 8.1868 123.6973 51.7111 39.3285 172.6952 98 P 4.3459 0.0000 0.0000 64.4507 33.4919 178.2362 99 L 3.7329 7.6235 118.8288 56.6284 40.1086 177.6106 *101 R 4.3263 8.9234 123.1787 56.2173 32.5774 174.6654 102 L 4.6870 7.5020 115.3183 52.4091 43.5732 175.6845 103 P 4.7026 0.0000 0.0000 62.7899 28.5953 175.6456 104 R 4.6463 7.4693 118.0124 54.1848 34.4628 175.5730 105 S 4.5337 8.4349 116.1860 57.9463 64.6729 173.3104 106 N 4.8494 8.5440 114.5096 53.1847 38.3404 174.4517 107 L 5.2403 7.5372 117.4635 53.1030 44.4181 175.7382 108 L 4.9890 9.0137 120.8564 53.4197 46.4103 175.2752 109 T 4.9972 8.4455 116.3819 62.1858 71.0436 174.1989 110 V 4.7824 8.5306 118.2489 60.0676 36.6707 174.4348 111 G 4.4938 8.5473 107.8891 45.7297 0.0000 171.6386 112 Y 5.4152 8.5023 116.9944 56.2474 42.4384 174.7505 113 R 4.6624 8.7457 117.4527 55.4705 33.8936 173.3835 114 I 4.9289 9.0477 120.8914 60.3257 39.2271 175.1274 115 H 5.0966 9.3249 126.1570 56.1208 32.8376 172.8789 116 D 4.2790 10.1793 126.9761 55.5290 38.9918 174.6037 117 G 3.8339 8.1125 103.4031 45.9222 0.0000 173.1577 118 Y 5.1083 7.8703 116.3525 55.3452 42.2489 174.7606 119 L 4.6188 9.0427 125.7589 55.3031 43.6009 175.3203 120 E 5.1325 9.3681 126.6370 54.3670 33.2882 173.9112 121 R 4.4021 8.6630 126.8067 54.3677 31.8551 174.9070 122 L 5.1397 8.6565 126.1054 52.1023 44.6181 175.3872 123 A 4.8232 7.3953 120.8648 50.0583 22.4282 174.9196 124 W 4.9642 9.3865 123.3602 54.4892 31.3235 175.5653 125 P 4.6546 0.0000 0.0000 63.0704 31.1704 175.0804 126 L 4.3025 7.2745 116.9139 55.9389 43.2518 173.6598 127 T 4.3307 8.2003 112.6589 60.6587 68.5220 172.7960 128 D 4.6434 8.7524 120.2883 53.7853 38.5721 174.3716 129 A 4.1080 7.8011 119.3565 51.6587 19.3291 178.3299 130 A 4.1860 8.4196 123.3479 51.8018 19.1251 179.3133 131 G 3.7128 8.1653 110.1918 48.4031 0.0000 175.5151 132 S 4.1119 8.1068 113.7365 60.8577 63.0420 174.5653 133 V 3.8354 7.8303 121.4258 62.1803 31.0555 175.0793 134 K 4.5481 8.3690 127.3599 54.2263 33.5723 174.7837 135 P 4.0053 0.0000 0.0000 62.4486 32.3121 178.0232 136 T 3.8782 7.7051 111.9441 61.4888 71.2799 172.5978 *138 Q 3.9662 8.5869 120.1341 55.8678 30.3668 174.6495 139 K 4.2172 8.5577 126.5968 56.0585 32.3670 175.8972 140 L 5.0232 8.9729 130.6993 54.3154 44.2314 176.8649 141 I 4.1480 8.1785 118.9861 61.2246 38.9060 174.4272 142 P 4.2473 0.0000 0.0000 63.5788 31.6161 175.4338 143 A 4.8402 8.2840 123.2234 51.3436 22.2862 175.7103 144 D 4.9879 8.8511 118.2690 52.6413 41.2423 175.9691 145 S 4.5214 7.7356 112.6129 57.6406 66.4623 173.4185 146 L 5.1398 9.3750 127.6279 53.2062 44.2659 175.0300 147 R 5.1937 9.2357 125.5786 54.3436 32.9578 175.2224 148 L 4.9172 8.9866 122.6406 53.0249 44.5477 175.9652 149 Q 4.7397 8.7095 121.2762 54.0258 33.2169 174.4014 150 F 5.3276 9.6356 119.2600 56.1131 43.3135 173.2042 151 Y 4.5895 8.4987 125.3658 55.8999 39.6865 175.5359 152 D 4.7179 7.9508 125.9351 52.8584 40.1625 176.7568 153 G 4.0177 6.6581 107.3354 46.1112 0.0000 174.6796 154 T 4.3197 8.0455 113.8860 64.5258 71.2208 174.0850 155 R 4.8161 7.0812 117.4307 54.0434 35.1860 174.0959 156 W 5.2518 9.0064 121.1087 56.2413 30.1340 175.9542 157 Q 4.8809 9.9974 123.7555 54.4483 30.9421 176.4133 158 E 4.3362 9.1993 121.3734 58.1994 30.2046 176.7819 159 S 5.1729 8.1205 112.4991 56.2206 65.9815 172.7541 160 W 4.5916 8.4738 131.5406 55.6886 32.4872 175.1663 161 S 4.4599 7.3976 116.9132 57.3262 63.9692 174.1019 162 S 4.0148 6.4809 115.4808 58.4008 63.0372 173.9332 163 V 3.8511 8.3496 125.2069 65.2998 31.8563 177.7446 164 Q 4.2331 7.9819 115.7921 57.1143 30.0618 176.2447 165 A 4.4060 7.9220 119.6891 51.6356 19.2091 176.4592 166 I 4.4527 7.9444 113.2963 57.9785 40.3629 173.7097 167 P 4.1130 0.0000 0.0000 62.2609 31.9441 176.8907 168 V 3.9254 8.4146 119.7069 65.6073 32.6192 175.6344 169 A 5.2195 7.7061 119.6329 50.3836 23.1024 175.0916 170 V 5.0163 9.0515 118.8513 61.3143 35.1676 175.0124 171 R 5.1315 8.8329 127.3193 54.0778 33.5698 174.2502 *173 T 4.6853 8.1410 115.6932 63.3542 69.9851 173.4951 174 L 5.7984 8.7786 124.7189 53.8636 44.9188 174.2846 175 H 5.1192 8.3464 117.4399 54.7679 31.7669 173.2178 176 S 5.1180 8.7553 121.4635 55.7048 64.0629 173.2700 177 P 4.2998 0.0000 0.0000 65.8436 31.4262 177.7427 178 Q 4.0172 8.1636 117.1281 57.5641 28.8439 176.7652 179 W 4.6503 8.2752 115.3735 55.5568 32.4550 176.2435 180 G 3.8417 8.7975 105.0212 44.0959 0.0000 171.5311 181 E 4.7936 8.5381 123.5392 55.5632 30.7435 176.7573 182 I 4.5167 8.7667 127.9090 59.3658 40.2315 174.0289 183 E 4.8596 8.7142 127.3101 54.3625 32.0313 175.2860 184 R 4.1858 8.1785 123.9063 54.2524 33.8933 173.6644 185 I 4.6765 7.7243 122.6664 59.3749 39.1313 174.9962 186 W 4.8968 9.2890 126.7227 54.6687 32.5168 174.8276 187 L 4.6234 8.7143 124.1988 54.8946 41.3853 177.0194 188 L 4.5622 8.8923 123.5864 55.4744 42.6699 177.9380 189 R 4.3967 7.9586 114.1141 54.4986 29.5141 175.6921 190 G 3.9124 8.1338 109.0396 45.6115 0.0000 171.6966 191 P 4.4893 0.0000 0.0000 62.6979 32.2724 176.2457 192 Q 4.2494 8.4697 117.6199 56.2126 29.0713 175.6565 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 39 Q 8.20 4.32 0.00 2.17 2.15 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 2.35 2.46 0.00 40 K 8.21 3.77 0.00 1.81 1.80 0.00 1.48 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.45 7.81 41 L 8.98 4.52 0.00 1.80 1.79 1.17 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.49 4.52 0.00 3.00 2.90 0.00 0.00 6.74 6.74 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 43 L 8.23 4.24 0.00 1.92 1.92 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 *45 Q 8.19 4.26 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.01 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.58 0.00 46 Q 8.57 4.08 0.00 2.37 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.31 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 47 T 8.13 4.24 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 1.32 0.00 0.00 *49 S 8.16 4.41 0.00 3.98 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 50 F 8.37 4.31 0.00 3.45 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 51 L 8.20 3.74 0.00 1.73 0.82 0.91 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.87 3.75 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 1.32 0.00 0.00 53 H 8.22 4.20 0.00 3.25 3.44 0.00 5.85 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 54 D 8.29 4.67 0.00 2.97 3.13 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 0.00 55 L 7.81 3.68 0.00 1.16 1.38 -0.46 0.71 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 56 T 7.59 4.14 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 1.40 0.00 0.00 57 Q 7.82 4.34 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 *60 P 0.00 4.41 0.00 2.23 2.17 0.00 3.72 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 1.90 1.98 0.00 61 R 7.36 4.52 0.00 1.89 1.83 0.00 3.20 0.00 0.00 3.34 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 62 P 0.00 4.82 0.00 1.97 1.97 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.27 0.00 63 V 8.55 4.70 2.07 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 0.72 0.00 0.00 0.84 0.00 0.00 64 R 9.28 4.83 0.00 1.66 1.78 0.00 3.09 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 65 G 9.02 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 0.00 0.00 0.00 66 D 8.66 4.54 0.00 2.83 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 67 Q 8.51 4.50 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 68 G 8.56 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 69 Q 7.70 4.16 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 70 R 8.57 4.44 0.00 1.70 1.90 0.00 3.30 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 71 E 9.24 4.90 0.00 1.89 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 2.18 2.41 0.00 72 P 0.00 4.64 0.00 2.30 2.16 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 73 A 9.16 4.65 1.37 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 74 L 8.04 4.95 0.00 1.52 1.49 1.05 0.27 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 75 L 8.77 4.82 0.00 1.71 1.60 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.82 5.01 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 77 G 8.74 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.32 4.32 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 79 G 9.12 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 0.00 0.00 0.00 0.00 80 V 7.33 3.73 2.37 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 1.16 0.00 0.00 1.04 0.00 0.00 81 L 9.19 3.78 0.00 1.88 1.79 1.07 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.39 3.86 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 83 S 7.94 4.47 0.00 4.06 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 84 E 8.98 4.37 0.00 2.02 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 2.37 2.30 0.00 85 S 7.40 4.61 0.00 3.88 3.38 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 86 E 9.19 4.83 0.00 2.18 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 2.42 2.43 0.00 87 G 8.65 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 0.00 0.00 0.00 *89 R 8.49 4.75 0.00 1.96 1.90 0.00 3.26 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 90 F 8.42 5.44 0.00 3.06 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 91 V 8.55 4.91 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 0.93 0.00 0.00 0.94 0.00 0.00 92 R 9.08 4.93 0.00 2.06 2.33 0.00 3.00 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 93 G 8.75 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 94 G 9.10 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 95 V 7.42 3.61 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 0.83 0.00 0.00 0.96 0.00 0.00 96 V 8.27 4.31 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 0.78 0.00 0.00 0.94 0.00 0.00 97 N 8.19 5.03 0.00 2.69 2.68 0.00 0.00 6.93 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 98 P 0.00 4.35 0.00 2.22 2.17 0.00 3.81 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 1.99 1.99 0.00 99 L 7.62 3.73 0.00 1.79 1.49 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 *101 R 8.92 4.33 0.00 1.80 2.00 0.00 3.22 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 102 L 7.50 4.69 0.00 1.67 1.57 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.70 0.00 2.04 2.03 0.00 3.64 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 2.03 2.11 0.00 104 R 7.47 4.65 0.00 1.74 1.77 0.00 3.21 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 105 S 8.43 4.53 0.00 3.98 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 0.00 106 N 8.54 4.85 0.00 2.78 2.97 0.00 0.00 6.65 6.74 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 0.00 107 L 7.54 5.24 0.00 1.55 1.66 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 108 L 9.01 4.99 0.00 1.54 1.68 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.45 5.00 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 0.86 0.00 0.00 110 V 8.53 4.78 1.77 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 0.62 0.00 0.00 0.20 0.00 0.00 111 G 8.55 4.49 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 0.00 112 Y 8.50 5.42 0.00 3.01 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 0.00 113 R 8.75 4.66 0.00 1.94 2.06 0.00 2.84 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 114 I 9.05 4.93 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.07 1.08 0.00 0.00 115 H 9.32 5.10 0.00 3.18 3.16 0.00 5.93 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 10.18 4.28 0.00 2.91 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 0.00 117 G 8.11 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 0.00 118 Y 7.87 5.11 0.00 3.17 2.86 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 0.00 119 L 9.04 4.62 0.00 1.87 1.79 1.13 1.16 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 0.00 120 E 9.37 5.13 0.00 2.08 1.72 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 2.05 2.28 0.00 121 R 8.66 4.40 0.00 1.35 1.29 0.00 2.75 0.00 0.00 2.50 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.70 0.00 122 L 8.66 5.14 0.00 1.29 0.67 0.82 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 0.00 123 A 7.40 4.82 1.01 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 0.00 124 W 9.39 4.96 0.00 3.25 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 0.00 125 P 0.00 4.65 0.00 2.20 2.16 0.00 3.95 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 2.03 1.96 0.00 126 L 7.27 4.30 0.00 1.77 1.68 0.96 0.84 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 0.00 127 T 8.20 4.33 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 0.00 128 D 8.75 4.64 0.00 2.79 2.67 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 0.00 129 A 7.80 4.11 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 0.00 130 A 8.42 4.19 1.27 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 0.00 0.00 0.00 131 G 8.17 3.71 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 0.00 0.00 0.00 132 S 8.11 4.11 0.00 4.00 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 0.00 133 V 7.83 3.84 2.34 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 0.92 0.00 0.00 0.97 0.00 0.00 134 K 8.37 4.55 0.00 1.73 1.62 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.42 7.81 135 P 0.00 4.01 0.00 0.99 0.49 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 136 T 7.71 3.88 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 1.08 0.00 0.00 *138 Q 8.59 3.97 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.14 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 139 K 8.56 4.22 0.00 1.55 1.51 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.51 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.73 0.90 7.81 140 L 8.97 5.02 0.00 1.76 1.55 1.05 1.01 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 0.00 141 I 8.18 4.15 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 1.06 0.00 0.00 142 P 0.00 4.25 0.00 1.92 1.78 0.00 4.03 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 143 A 8.28 4.84 1.22 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 0.00 0.00 144 D 8.85 4.99 0.00 2.64 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 0.00 145 S 7.74 4.52 0.00 3.89 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 0.00 146 L 9.37 5.14 0.00 1.72 1.60 1.10 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 147 R 9.24 5.19 0.00 1.63 1.78 0.00 3.35 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 148 L 8.99 4.92 0.00 1.69 1.06 1.20 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.71 4.74 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 150 F 9.64 5.33 0.00 3.28 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 0.00 151 Y 8.50 4.59 0.00 1.43 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 0.00 0.00 0.00 0.00 152 D 7.95 4.72 0.00 2.88 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 0.00 153 G 6.66 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 0.00 0.00 0.00 154 T 8.05 4.32 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 1.17 0.00 0.00 155 R 7.08 4.82 0.00 1.62 1.77 0.00 3.13 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 156 W 9.01 5.25 0.00 3.33 3.29 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 0.00 157 Q 10.00 4.88 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.68 2.81 0.00 158 E 9.20 4.34 0.00 2.07 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 2.40 2.42 0.00 159 S 8.12 5.17 0.00 3.95 3.80 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 0.00 160 W 8.47 4.59 0.00 1.89 2.36 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 0.00 161 S 7.40 4.46 0.00 3.80 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 0.00 162 S 6.48 4.01 0.00 3.38 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 0.00 163 V 8.35 3.85 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 1.03 0.00 0.00 0.89 0.00 0.00 164 Q 7.98 4.23 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 165 A 7.92 4.41 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 0.00 166 I 7.94 4.45 1.65 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 1.41 0.71 0.88 0.00 0.00 167 P 0.00 4.11 0.00 1.82 1.66 0.00 3.07 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.44 0.00 168 V 8.41 3.93 2.33 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 1.06 0.00 0.00 0.95 0.00 0.00 169 A 7.71 5.22 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 0.00 170 V 9.05 5.02 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 1.06 0.00 0.00 0.97 0.00 0.00 171 R 8.83 5.13 0.00 1.27 1.49 0.00 3.02 0.00 0.00 3.04 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.10 0.00 *173 T 8.14 4.69 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 1.19 0.00 0.00 174 L 8.78 5.80 0.00 1.82 1.73 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 175 H 8.35 5.12 0.00 3.23 3.41 0.00 5.54 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 S 8.76 5.12 0.00 3.96 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 0.00 177 P 0.00 4.30 0.00 2.20 2.18 0.00 4.01 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 178 Q 8.16 4.02 0.00 2.15 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 179 W 8.28 4.65 0.00 3.14 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 G 8.80 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 0.00 181 E 8.54 4.79 0.00 2.03 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 2.24 2.34 0.00 182 I 8.77 4.52 1.81 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.53 0.77 0.00 0.00 183 E 8.71 4.86 0.00 1.83 1.67 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 1.98 2.12 0.00 184 R 8.18 4.19 0.00 1.23 0.66 0.00 2.88 0.00 0.00 3.05 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.27 0.00 185 I 7.72 4.68 1.72 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.67 1.08 0.00 0.00 186 W 9.29 4.90 0.00 3.25 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 0.00 187 L 8.71 4.62 0.00 1.58 1.62 0.92 0.98 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 0.00 188 L 8.89 4.56 0.00 1.54 1.60 0.74 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 189 R 7.96 4.40 0.00 1.86 1.91 0.00 3.17 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 190 G 8.13 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 191 P 0.00 4.49 0.00 2.20 2.06 0.00 3.73 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 1.99 1.99 0.00 192 Q 8.47 4.25 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.