NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4581 8.3044 120.6022 54.9687 33.9192 174.6371 2 K 3.8651 8.4624 127.2118 54.9112 32.3464 174.0710 3 T 4.9817 9.2090 117.7099 58.6347 74.3813 172.4315 4 P 4.2027 0.0000 0.0000 65.5223 31.2268 179.2546 5 I 3.6724 7.5691 118.5968 64.5872 37.2790 178.3744 6 T 3.9133 8.0005 110.5770 64.5248 68.5103 176.2248 7 E 3.8485 8.4035 122.2787 58.9805 29.6173 178.5237 8 A 3.9737 7.8557 120.9238 55.2529 18.4250 179.6661 9 I 3.7817 7.8334 111.1666 63.6666 37.6956 178.2424 10 A 3.9422 8.1257 122.8230 54.8927 18.0143 179.4575 11 A 3.8801 8.1053 119.1333 55.2639 18.4603 179.7795 12 A 3.9313 7.8088 119.0643 55.1920 18.3442 179.3987 13 D 4.2052 8.4579 117.2651 57.7153 41.1415 178.6473 14 T 3.8511 7.9674 109.1241 64.3321 68.7856 175.4748 15 Q 4.3701 7.6844 118.4986 54.6669 29.2398 175.5901 16 G 3.9791 8.1484 108.5478 46.4406 0.0000 173.5202 17 R 4.7203 8.0701 113.9491 53.3288 32.6512 174.9092 18 F 4.2273 8.6471 116.9254 56.8652 39.5967 175.6059 19 L 4.1324 8.5012 122.8177 55.0350 42.1399 177.3675 20 S 4.8483 9.6611 118.2219 56.2144 67.0725 174.6320 21 N 4.3489 8.5874 118.2699 56.9551 38.0229 176.6298 22 T 3.8697 7.7639 117.0034 66.7135 68.5401 176.2807 23 E 3.8408 7.9911 119.8174 59.0167 29.7024 179.0021 24 L 3.9744 7.9650 119.2068 57.9104 41.6608 179.5734 25 Q 3.9939 8.2381 117.7957 58.6113 28.7080 178.6178 26 A 3.9184 7.3918 121.5857 55.3212 18.4228 179.9619 27 V 3.2680 7.6386 116.6492 65.8577 31.3620 177.7456 28 D 4.3524 8.0212 118.2454 57.0550 41.0545 178.3090 29 G 3.6197 8.1627 106.4088 47.8189 0.0000 175.6699 30 R 3.9323 7.7069 120.5699 59.2276 29.8949 178.6275 31 F 4.6455 7.9757 116.7916 60.6151 39.0473 177.5858 32 K 4.2020 8.5258 118.4504 59.5028 31.9829 179.4755 33 R 3.9609 8.3283 118.3653 58.7742 29.9360 178.0768 34 A 4.0812 7.9756 120.9941 55.1572 18.0758 179.5674 35 V 3.5005 7.6171 116.6812 66.3970 31.5945 178.2446 36 A 4.0529 7.9554 119.8139 55.0993 18.2423 179.6457 37 S 4.1420 8.2286 113.7834 62.1322 62.8597 176.8680 38 M 4.0806 8.7329 121.7413 58.1373 31.6387 178.3871 39 E 3.9080 8.0612 119.4089 59.2550 29.8430 178.8091 40 A 3.9651 8.0727 120.5381 55.0480 18.4496 179.4511 41 A 3.9650 8.2634 119.4659 55.4152 18.4310 180.0774 42 R 3.8626 8.3741 116.7005 59.2486 30.1245 179.1410 43 A 3.9933 7.9949 120.4721 55.3649 18.2357 179.7620 44 L 4.0012 7.8203 115.9705 58.1289 42.0274 179.7460 45 T 4.0699 7.9885 115.8587 66.6523 68.2177 176.5565 46 N 4.4165 8.3792 117.6295 55.7870 38.8172 176.4203 47 N 4.9352 8.1538 116.0984 52.9234 39.4505 176.9894 48 A 4.0270 7.7059 124.6774 55.5819 18.3869 180.4464 49 Q 3.9617 8.0921 116.0941 59.2590 28.8369 179.2764 50 S 4.1497 8.0337 114.6959 61.4150 63.0657 176.3342 51 L 4.2027 8.0205 122.6320 57.5625 41.3000 179.5867 52 I 3.6964 8.1176 120.0585 64.4442 37.1754 178.1980 53 D 4.3735 8.3967 120.1400 57.4033 40.6919 179.2232 54 G 3.4016 8.7049 107.7019 46.9314 0.0000 175.6639 55 A 3.2581 7.8340 123.0336 54.4700 18.3928 179.4998 56 A 3.3914 7.7800 119.3459 55.3873 18.3552 179.9857 57 Q 3.9236 7.5822 115.6707 58.7947 28.6594 178.8224 58 A 3.8509 7.4142 121.9765 54.9930 18.3331 179.8953 59 V 3.4958 7.3492 116.6771 66.4311 31.3750 177.9630 60 Y 4.3444 7.3389 116.3605 61.1232 37.3687 178.6490 61 Q 4.0021 8.1532 118.8084 58.6471 28.9242 178.1168 62 K 3.9655 7.9769 119.9724 57.7381 33.7631 176.9913 63 F 5.0850 8.2108 118.2494 53.8525 39.1888 173.3816 64 P 4.4828 0.0000 0.0000 65.3108 31.1153 178.0399 65 Y 4.1953 8.2874 116.7564 59.6883 37.7983 177.8795 66 T 3.6267 7.2583 111.3769 63.4353 68.7557 175.6565 67 T 4.2983 8.0002 113.6963 61.5219 69.2308 176.0450 68 T 4.2765 7.2903 109.6238 62.1343 71.0065 174.3584 69 M 3.9831 7.9722 122.3596 55.0312 32.6054 175.4395 70 Q 4.1590 8.4849 127.4694 55.1620 30.2964 173.9546 71 G 4.2715 9.0374 111.5552 44.4896 0.0000 174.2579 72 S 4.2675 8.3342 118.7977 60.3849 63.3866 175.1020 73 Q 4.1776 7.8771 118.1715 57.1381 28.7062 174.9465 74 Y 4.6360 7.5123 116.7343 56.6179 40.2483 175.0188 75 A 4.1736 8.1197 122.9946 52.4348 19.0239 178.7491 76 S 4.9484 7.8840 112.2147 58.5353 63.9335 173.9097 77 T 4.6895 7.1982 114.4868 59.0505 71.8769 172.3600 78 P 4.2005 0.0000 0.0000 65.9676 31.1622 178.5214 79 E 4.0645 8.1642 118.0807 59.1468 29.4340 179.3677 80 G 3.6363 7.8757 106.6853 47.0939 0.0000 175.8250 81 K 3.9947 8.2943 120.8018 59.1335 31.9620 179.3512 82 A 3.9706 8.1032 121.0910 55.0143 18.2190 179.7732 83 K 3.8119 8.2480 117.2558 59.6509 32.0322 179.1328 84 C 4.0786 8.2540 118.6341 62.5468 31.5656 175.4494 85 A 3.9108 8.1042 122.3805 54.9548 17.8728 179.5209 86 R 3.5669 8.0695 117.3135 59.6148 30.1882 178.3373 87 D 4.2794 8.1310 118.7760 57.6032 40.9517 178.9483 88 I 4.0058 8.1740 120.4885 64.5414 37.0569 178.7392 89 G 3.6971 8.2858 106.4699 47.8725 0.0000 175.3633 90 Y 4.3603 8.0851 118.9887 61.2699 37.9458 178.2086 91 Y 3.9599 8.3927 117.5761 61.0605 38.0189 178.6144 92 L 4.0392 8.2212 121.1509 58.1149 42.2221 178.8724 93 R 3.6325 8.3704 119.0653 59.6841 29.9397 178.3595 94 M 3.9409 8.1556 118.9151 58.2612 31.9343 178.7902 95 I 3.7421 7.9014 113.5688 64.2274 37.6479 178.4569 96 T 3.8984 7.8938 111.6371 64.6963 68.5090 176.2053 97 Y 4.3538 7.8811 119.6001 61.1230 37.8409 178.1976 98 C 4.2843 8.0818 119.0322 62.1661 27.8661 176.2129 99 L 3.8899 7.4745 119.4504 57.7073 41.2716 179.4326 100 V 3.7252 7.8584 117.2034 65.8489 31.6105 177.5179 101 A 4.2640 8.3423 119.1835 52.4154 18.4885 178.1779 102 G 3.8432 9.2204 105.1219 45.6405 0.0000 173.1073 103 G 4.0957 7.1952 107.3579 43.6843 0.0000 174.6056 104 T 4.1433 8.3566 108.6694 62.6053 68.8605 176.7295 105 G 3.8683 7.6799 109.5485 47.7102 0.0000 173.6029 106 P 3.8546 0.0000 0.0000 65.3013 31.3942 178.4557 107 M 4.0815 7.9295 116.2072 58.5613 32.2817 177.6114 108 D 4.4255 8.4791 119.5462 57.5795 40.8268 178.7915 109 E 3.8965 7.8581 117.4288 59.3468 29.7160 178.3702 110 Y 4.6079 7.5024 114.6286 59.0955 38.2173 175.9658 111 L 4.4913 7.6108 118.3094 56.5552 44.6449 177.4727 112 I 3.7629 8.3105 119.4831 63.9416 37.2227 176.3915 113 A 4.1488 7.6926 123.8757 53.5171 18.3745 177.8065 114 G 4.4454 8.9953 111.5819 45.4169 0.0000 174.7029 115 L 3.9131 8.0526 122.2764 58.3027 42.0079 178.9589 116 S 4.1176 8.0427 113.4623 61.6275 62.8593 176.0815 117 E 3.9562 8.1392 121.7659 59.0009 29.2400 179.2691 118 I 3.8749 8.0176 119.8410 64.6776 37.1902 178.2549 119 N 4.4234 8.3526 117.3454 56.2805 38.1266 177.5400 120 S 4.0205 8.1058 114.4908 61.7110 62.3478 176.2688 121 T 3.7354 7.8799 117.2062 66.2487 68.2315 175.7430 122 F 4.5668 8.0329 116.1331 55.9638 39.8655 175.2024 123 D 4.2984 7.6264 116.9285 55.2648 39.8726 173.3786 124 L 4.4759 7.9895 117.4081 52.9087 43.9219 176.7028 125 S 3.9519 5.8100 117.6096 56.3379 63.1632 172.8285 126 P 4.4316 0.0000 0.0000 65.8548 31.1436 178.6177 127 S 4.2407 7.9409 112.4397 61.1819 62.7196 176.7026 128 W 4.2004 7.7661 122.5279 60.0952 28.7899 178.1472 129 Y 3.9704 7.8239 116.0311 60.8475 37.2024 178.4044 130 I 3.7627 8.0438 121.0877 64.3020 37.1946 178.0330 131 E 3.9761 8.3799 119.8646 59.1653 29.4698 178.7384 132 A 3.9577 7.9366 120.5415 55.1769 18.4581 179.6430 133 L 4.0330 8.1220 117.5702 57.9014 41.6937 179.9116 134 K 4.0451 8.4497 118.7687 59.5131 31.5705 178.8107 135 Y 3.9464 8.1165 119.9734 60.6233 38.5845 178.0161 136 I 3.8136 7.9918 120.8835 64.2422 37.0052 178.3158 137 K 3.9628 8.0135 119.1561 59.5484 32.1517 178.5355 138 A 4.0993 7.8480 119.6392 53.9313 18.2287 177.7596 139 N 4.7941 7.2262 112.9114 53.1691 39.6763 175.2268 140 H 4.2950 7.7190 115.7146 57.6428 28.8740 177.0064 *143 G 4.0881 7.7902 107.2742 44.8869 0.0000 172.9987 144 L 4.3300 7.9214 119.5314 54.6374 42.4591 175.7712 145 T 4.6704 7.6847 109.5549 60.6122 72.8583 174.5388 146 G 4.1105 8.5089 108.7228 46.1667 0.0000 174.7676 147 Q 4.0673 8.7663 117.2892 58.6206 29.0049 177.9441 148 A 4.2707 7.9999 121.7262 55.0920 18.4053 179.3381 149 A 3.9144 7.7271 117.9974 55.0916 18.4139 180.0275 150 V 3.3871 7.5340 116.4370 65.9198 31.4294 177.7466 *161 E 4.1684 7.9715 116.5911 56.4328 31.6200 177.6353 162 A 4.1570 8.1347 120.1556 55.6077 18.3480 179.5387 163 N 4.3913 8.6227 114.8699 56.1265 38.5892 177.5718 164 A 3.9001 7.8991 122.4728 55.4581 18.5421 179.2760 165 Y 4.3260 7.5788 115.0240 60.7651 37.9619 178.4758 166 I 3.8915 8.0971 121.1190 64.6651 37.2307 178.2302 167 D 4.4564 8.6384 120.0411 57.2767 40.5590 178.2671 168 Y 4.0922 8.0818 120.0818 60.5053 38.5830 177.8510 169 A 4.0678 8.0234 120.5395 55.2398 18.9618 179.1702 170 I 3.8511 7.9542 118.3660 64.8992 37.3277 178.4019 171 N 4.3265 8.5439 117.1853 56.2697 38.1088 177.3373 172 A 3.9643 7.7030 121.1032 54.2216 18.5086 178.6237 173 L 4.3968 7.5409 115.1002 55.1199 42.2461 176.9381 174 S 4.3996 7.6807 120.3937 58.5379 63.0527 173.8250 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 1 M 8.30 4.46 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 2 K 8.46 3.87 0.00 1.87 1.72 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.46 7.81 3 T 9.21 4.98 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 4 P 0.00 4.20 0.00 2.11 2.10 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 5 I 7.57 3.67 1.85 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 1.52 0.46 0.89 0.00 0.00 6 T 8.00 3.91 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 7 E 8.40 3.85 0.00 2.31 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 0.00 2.28 2.35 0.00 8 A 7.86 3.97 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 9 I 7.83 3.78 1.85 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 1.43 1.19 0.93 0.00 0.00 10 A 8.13 3.94 1.40 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 11 A 8.11 3.88 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 12 A 7.81 3.93 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 13 D 8.46 4.21 0.00 2.82 2.76 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 14 T 7.97 3.85 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 1.27 0.00 0.00 15 Q 7.68 4.37 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 16 G 8.15 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 0.00 0.00 0.00 17 R 8.07 4.72 0.00 1.91 1.91 0.00 3.26 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 18 F 8.65 4.23 0.00 3.05 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 19 L 8.50 4.13 0.00 1.70 1.63 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 20 S 9.66 4.85 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.59 4.35 0.00 2.85 2.86 0.00 0.00 6.90 7.22 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 22 T 7.76 3.87 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 1.20 0.00 0.00 23 E 7.99 3.84 0.00 2.17 1.96 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 2.53 2.44 0.00 24 L 7.97 3.97 0.00 1.86 1.71 0.92 0.85 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 25 Q 8.24 3.99 0.00 2.09 2.13 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 2.37 2.61 0.00 26 A 7.39 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.64 3.27 1.95 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 0.19 0.00 0.00 0.79 0.00 0.00 28 D 8.02 4.35 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 29 G 8.16 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.71 3.93 0.00 1.92 1.89 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 31 F 7.98 4.65 0.00 3.18 2.98 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 32 K 8.53 4.20 0.00 1.98 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.62 7.81 33 R 8.33 3.96 0.00 2.06 1.97 0.00 3.18 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 34 A 7.98 4.08 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 35 V 7.62 3.50 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 1.01 0.00 0.00 0.95 0.00 0.00 36 A 7.96 4.05 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 37 S 8.23 4.14 0.00 4.07 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.73 4.08 0.00 1.99 2.19 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 2.63 2.84 0.00 39 E 8.06 3.91 0.00 2.10 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 2.32 2.34 0.00 40 A 8.07 3.97 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 41 A 8.26 3.96 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 42 R 8.37 3.86 0.00 1.86 2.01 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 43 A 7.99 3.99 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 44 L 7.82 4.00 0.00 1.66 1.78 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.99 4.07 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 46 N 8.38 4.42 0.00 2.88 2.90 0.00 0.00 7.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.15 4.94 0.00 2.76 2.83 0.00 0.00 6.91 7.47 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 48 A 7.71 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 49 Q 8.09 3.96 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 50 S 8.03 4.15 0.00 4.09 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 51 L 8.02 4.20 0.00 2.02 1.86 0.99 0.94 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 52 I 8.12 3.70 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.79 0.92 0.00 0.00 53 D 8.40 4.37 0.00 2.69 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 54 G 8.70 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 55 A 7.83 3.26 1.40 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 56 A 7.78 3.39 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 57 Q 7.58 3.92 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 58 A 7.41 3.85 1.20 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 59 V 7.35 3.50 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.86 0.00 0.00 60 Y 7.34 4.34 0.00 3.07 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 61 Q 8.15 4.00 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 62 K 7.98 3.97 0.00 1.57 1.54 0.00 1.30 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.11 0.21 7.81 63 F 8.21 5.09 0.00 2.94 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 64 P 0.00 4.48 0.00 2.29 2.34 0.00 4.08 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.95 0.00 65 Y 8.29 4.20 0.00 3.11 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 66 T 7.26 3.63 3.69 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 0.09 0.00 0.00 67 T 8.00 4.30 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 0.82 0.00 0.00 68 T 7.29 4.28 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 1.15 0.00 0.00 69 M 7.97 3.98 0.00 0.97 1.82 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.24 0.00 70 Q 8.48 4.16 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 71 G 9.04 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 0.00 0.00 0.00 0.00 72 S 8.33 4.27 0.00 4.02 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 73 Q 7.88 4.18 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.81 0.00 0.00 0.00 0.00 0.00 1.16 2.11 0.00 74 Y 7.51 4.64 0.00 3.18 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 75 A 8.12 4.17 1.12 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 0.00 0.00 76 S 7.88 4.95 0.00 3.94 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 77 T 7.20 4.69 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 1.27 0.00 0.00 78 P 0.00 4.20 0.00 2.28 2.26 0.00 3.73 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 2.05 2.04 0.00 79 E 8.16 4.06 0.00 2.07 2.03 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 2.40 2.43 0.00 80 G 7.88 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.29 3.99 0.00 1.90 1.84 0.00 1.58 0.00 0.00 1.47 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.59 7.81 82 A 8.10 3.97 1.36 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 0.00 0.00 83 K 8.25 3.81 0.00 1.92 1.86 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.57 7.81 84 C 8.25 4.08 0.00 3.13 3.07 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 85 A 8.10 3.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.07 3.57 0.00 1.85 1.94 0.00 3.00 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.35 0.00 87 D 8.13 4.28 0.00 3.10 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 88 I 8.17 4.01 1.86 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 1.69 1.07 0.91 0.00 0.00 89 G 8.29 3.70 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 0.00 0.00 0.00 90 Y 8.09 4.36 0.00 3.23 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 91 Y 8.39 3.96 0.00 3.35 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 92 L 8.22 4.04 0.00 1.86 1.85 0.99 0.69 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 93 R 8.37 3.63 0.00 1.91 1.87 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.17 0.00 94 M 8.16 3.94 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.81 0.00 95 I 7.90 3.74 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.82 1.09 0.00 0.00 96 T 7.89 3.90 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 97 Y 7.88 4.35 0.00 3.16 2.93 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 0.00 0.00 0.00 98 C 8.08 4.28 0.00 2.46 1.56 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 99 L 7.47 3.89 0.00 1.77 1.95 1.04 1.09 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 0.00 100 V 7.86 3.73 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 0.82 0.00 0.00 1.01 0.00 0.00 101 A 8.34 4.26 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 9.22 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 0.00 103 G 7.20 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 0.00 104 T 8.36 4.14 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 0.38 0.00 0.00 105 G 7.68 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 0.00 0.00 0.00 106 P 0.00 3.85 0.00 2.23 2.29 0.00 3.56 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 2.25 2.08 0.00 107 M 7.93 4.08 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.72 0.00 108 D 8.48 4.43 0.00 2.83 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 0.00 109 E 7.86 3.90 0.00 1.27 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 0.00 2.20 2.35 0.00 110 Y 7.50 4.61 0.00 3.00 2.81 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 0.00 111 L 7.61 4.49 0.00 1.43 1.66 0.06 0.74 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 0.00 112 I 8.31 3.76 2.03 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 1.46 0.74 0.89 0.00 0.00 113 A 7.69 4.15 1.29 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 0.00 0.00 114 G 9.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.05 3.91 0.00 2.02 1.76 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.04 4.12 0.00 4.08 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 0.00 117 E 8.14 3.96 0.00 2.28 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 2.40 2.46 0.00 118 I 8.02 3.87 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.96 1.07 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.77 4.20 0.00 2.94 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 0.00 129 Y 7.82 3.97 0.00 3.07 2.51 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 0.00 130 I 8.04 3.76 2.11 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 1.46 0.91 0.98 0.00 0.00 131 E 8.38 3.98 0.00 2.46 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 0.00 2.31 2.39 0.00 132 A 7.94 3.96 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 0.00 133 L 8.12 4.03 0.00 1.90 1.79 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.45 4.05 0.00 2.01 1.89 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.72 7.81 135 Y 8.12 3.95 0.00 3.03 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 0.00 136 I 7.99 3.81 2.12 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 1.57 0.85 1.02 0.00 0.00 137 K 8.01 3.96 0.00 1.81 2.00 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.73 7.81 138 A 7.85 4.10 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 0.00 139 N 7.23 4.79 0.00 2.22 2.51 0.00 0.00 7.03 8.20 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 0.00 140 H 7.72 4.30 0.00 3.32 3.68 0.00 5.49 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *143 G 7.79 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.92 4.33 0.00 1.56 1.59 0.78 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 145 T 7.68 4.67 4.25 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 1.22 0.00 0.00 146 G 8.51 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 0.00 147 Q 8.77 4.07 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 148 A 8.00 4.27 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 0.00 149 A 7.73 3.91 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 0.00 150 V 7.53 3.39 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 1.00 0.00 0.00 1.01 0.00 0.00 *161 E 7.97 4.17 0.00 2.31 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 2.45 2.41 0.00 162 A 8.13 4.16 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 0.00 163 N 8.62 4.39 0.00 2.81 2.92 0.00 0.00 6.97 7.87 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 0.00 164 A 7.90 3.90 1.05 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 0.00 165 Y 7.58 4.33 0.00 3.09 3.07 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 0.00 166 I 8.10 3.89 1.97 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.06 1.04 0.00 0.00 167 D 8.64 4.46 0.00 2.78 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 0.00 168 Y 8.08 4.09 0.00 3.26 3.30 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 0.00 169 A 8.02 4.07 1.63 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 0.00 0.00 170 I 7.95 3.85 2.07 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 1.76 1.38 0.95 0.00 0.00 171 N 8.54 4.33 0.00 2.83 2.79 0.00 0.00 6.97 7.93 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 0.00 172 A 7.70 3.96 1.20 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 0.00 173 L 7.54 4.40 0.00 1.87 1.77 1.00 0.87 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 0.00 174 S 7.68 4.40 0.00 3.88 3.75 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 * Residues marked with a * may have inaccurate shift predictions.