NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3405 8.4444 121.7360 56.1679 30.7035 174.9799 3 T 4.2816 8.6178 122.3629 61.8068 68.2483 171.8973 4 Q 4.6513 9.4730 126.6934 54.1055 33.6072 173.6073 5 S 5.1433 8.1340 115.8310 56.7907 64.9162 172.7629 6 F 5.2405 9.3811 124.5484 55.6716 43.4633 173.7708 7 V 4.8468 8.9939 122.1068 61.2795 33.6386 174.4859 8 V 5.1112 9.0591 128.0855 61.2560 34.4622 174.1565 9 S 5.1934 8.9794 123.3514 56.7395 66.2225 173.2383 10 V 5.1683 8.4218 122.4569 61.2495 34.9728 173.8826 11 A 5.3513 9.3626 128.6332 50.6256 23.1334 175.5543 12 G 3.5702 8.4464 106.1653 46.0784 0.0000 172.2368 13 S 4.8458 8.2311 116.0847 58.1165 63.4104 174.4362 14 D 4.8360 9.0844 125.1468 54.7228 41.6760 175.4089 15 R 4.5781 8.1880 119.0454 54.9316 31.9409 174.6458 16 V 3.5958 8.1319 119.0668 64.5117 32.0495 176.2262 17 G 4.0219 8.9219 114.2558 45.5959 0.0000 175.2156 18 I 3.3360 7.6788 121.0376 64.2703 37.0150 178.2073 19 V 3.5938 7.6963 118.5055 66.2074 31.3829 177.2782 20 H 4.2144 8.2097 117.4117 59.4813 29.8036 176.7558 21 D 4.3168 8.3308 120.8813 57.2105 40.6414 178.4484 22 F 3.9696 8.4601 121.3656 61.6219 39.3965 177.4648 23 S 4.2423 8.5806 114.8227 61.2207 62.6582 176.3837 24 W 3.9448 8.7510 131.2867 60.3957 30.4544 177.8462 25 A 3.9965 8.2002 120.6305 55.2040 17.7483 179.6595 26 L 3.8185 7.5623 117.4246 57.6459 41.6428 179.5551 27 K 3.7148 7.9168 119.6385 59.4959 31.8320 178.2355 28 N 3.9170 7.4022 116.4759 55.5808 38.6724 175.8167 29 I 4.1548 6.6314 110.2533 59.5856 38.1673 175.4065 30 S 3.5919 7.5927 114.2098 59.8816 60.7987 171.7971 31 A 4.7280 7.8961 120.7671 50.8547 20.4519 177.1705 32 N 4.9329 8.9347 119.6652 51.5709 41.9827 173.9749 33 V 4.2658 8.3612 125.7130 62.9101 31.4955 175.1877 34 E 4.3236 9.4231 131.1933 59.0682 30.0604 176.6053 35 S 4.8573 7.8913 111.5680 57.8403 66.1876 173.4064 36 S 5.1069 8.2798 113.7670 57.6517 65.4816 173.1917 37 R 4.6445 8.5861 119.6375 54.5631 34.6065 174.1931 *39 A 4.0980 8.3225 120.3556 52.1769 20.2473 175.6249 40 C 5.1738 8.1953 116.5959 57.9438 31.7285 173.7020 41 L 4.2958 9.0202 123.1129 55.3578 44.9900 174.8756 42 G 4.1263 10.0315 112.6577 46.5216 0.0000 174.4156 43 G 3.9686 8.4897 106.8027 44.6858 0.0000 173.1717 44 D 5.4282 8.1965 119.5718 52.4898 44.2322 175.0399 45 F 5.3607 9.3386 122.6762 56.6352 42.6353 173.7621 46 A 5.5699 7.9534 126.1563 49.6915 23.0803 175.0343 *48 I 4.1517 8.0929 118.0064 61.4725 38.9391 175.5326 49 V 4.8156 8.8689 125.7385 61.1499 35.3490 173.9224 50 L 5.0427 8.9393 127.8859 53.7086 43.3327 175.6391 51 V 4.9230 9.1441 124.4764 61.2249 34.5408 174.2085 52 S 5.4202 9.3039 124.2202 57.1852 65.1339 173.0199 53 L 4.8435 8.9419 125.0931 53.2256 45.6788 175.9531 54 N 4.7960 8.5662 123.8757 51.3324 36.8897 174.0251 55 A 4.5923 7.1905 119.6741 51.0297 22.6004 176.9381 56 K 4.1741 8.8821 122.1301 58.5471 32.5315 176.3753 57 D 5.3331 7.9344 115.2506 51.3618 42.4784 175.7023 58 G 3.3172 8.3113 102.7017 44.4423 0.0000 175.3409 59 K 3.7897 8.3322 123.3498 59.4150 31.9405 178.8763 60 L 3.8590 7.6552 119.7802 58.0168 42.0767 178.8679 61 I 3.4941 7.3683 119.2076 64.3431 37.0429 177.9536 62 Q 3.9188 8.0774 120.3730 59.3244 28.8948 178.5025 63 S 4.0623 8.1944 115.9334 61.5851 62.9213 176.5153 64 A 3.9781 8.1084 123.5445 55.2318 18.0618 179.7554 65 L 3.8923 8.0093 117.4461 57.8799 41.5005 179.4521 66 E 4.0108 8.2018 117.8244 59.4249 29.4149 179.1379 67 S 4.2231 7.9034 112.2527 61.3609 62.5959 175.8173 68 A 4.1994 7.8756 122.2054 53.6393 19.7967 177.5443 69 L 4.7597 7.9838 116.4909 52.6164 42.1615 174.6869 70 P 4.6260 0.0000 0.0000 64.1291 32.3637 176.8864 71 G 4.0809 8.9540 109.0634 45.5335 0.0000 173.9931 72 F 4.2454 7.8253 117.1386 57.2689 40.0158 175.3613 73 Q 4.4318 9.3706 124.4590 55.5549 29.8099 174.5572 74 I 5.4103 8.4513 127.0924 59.5958 40.8262 175.1457 75 S 4.9618 9.2007 119.8611 57.0481 66.8112 172.9974 76 T 5.3967 8.1684 118.0872 62.0680 71.9373 173.5117 77 R 4.8754 9.0624 121.3077 54.1416 33.5241 174.4478 78 R 4.1661 8.8138 120.2240 56.3900 30.7025 176.1028 79 A 4.2137 8.4072 127.3650 51.8439 19.0925 177.9334 80 S 4.2028 8.5499 116.9417 58.6624 63.3499 174.7006 81 S 4.2870 8.4578 119.3243 60.5680 63.8954 175.7593 82 V 3.7435 7.1501 119.6611 59.4303 31.8187 175.2188 *87 V 3.8764 7.9775 111.9286 61.1506 32.7023 174.9866 88 S 4.1534 8.4080 115.3271 58.1061 62.3918 173.4217 89 P 4.3130 0.0000 0.0000 65.2418 31.2212 176.5788 90 D 4.8319 8.1443 118.3551 55.0071 41.2421 176.2318 91 T 4.3767 7.9045 117.6245 64.1059 68.9892 173.8698 92 R 4.6834 9.0787 123.6776 54.5010 34.9968 173.9964 93 E 5.0472 8.1868 119.3374 55.2379 32.5322 174.7390 94 Y 5.0336 8.8035 119.1522 56.4626 42.9085 173.9633 95 E 4.7544 9.4777 123.1500 55.0858 31.5473 174.8203 96 L 5.0745 8.7197 126.6257 53.3900 45.0529 174.6179 97 Y 5.1019 9.0355 122.9675 56.2475 42.1620 174.4936 98 V 5.0255 8.4492 122.2940 61.2313 35.4466 173.6591 99 E 5.0430 9.2485 127.8660 54.6751 33.5732 174.9674 100 G 3.9895 8.3822 112.4577 45.3825 0.0000 169.8021 101 P 4.3126 0.0000 0.0000 62.5155 31.7927 176.3760 102 D 4.6113 8.8258 124.3926 54.7046 41.5930 175.2589 103 S 4.5710 8.0601 116.9576 57.1071 65.8874 174.7270 104 E 3.6332 9.0984 121.8240 58.7486 29.5544 177.7907 105 G 3.9738 7.6057 105.8785 45.6097 0.0000 175.4200 106 I 2.6352 6.8458 121.5683 64.0544 36.9736 178.1053 107 V 3.4476 7.1835 118.1343 66.0830 31.2956 177.3606 108 E 3.8285 7.9992 118.0870 59.2439 29.1947 178.4864 109 A 3.8588 7.8301 120.8442 54.9985 18.3214 179.8475 110 V 3.4940 7.8359 117.2752 66.4382 31.6398 178.5007 111 T 3.9070 8.0204 109.1743 64.4269 68.4062 176.2752 112 A 3.9143 8.1674 124.1685 54.9384 18.3904 179.5249 113 V 3.4554 7.3932 116.5421 66.1794 31.4900 178.2690 114 L 3.8232 7.6583 117.8256 57.7027 41.5058 179.1895 115 A 3.9677 8.1800 120.9476 55.3722 18.0961 179.8391 116 K 3.9342 8.0179 115.6231 59.1833 32.1749 178.7889 117 K 4.3172 7.7585 115.8987 55.5708 32.0938 177.2271 118 G 3.8469 7.7587 106.8188 46.1693 0.0000 173.7764 119 A 4.5749 8.0666 121.6247 51.5820 19.1391 177.4968 120 N 4.8597 9.2203 121.2610 52.2738 41.2454 173.7502 121 I 4.4480 8.2849 126.2855 60.6619 37.7118 175.4993 122 V 4.1160 9.1306 127.7216 64.3958 32.7734 175.9622 123 E 4.8465 7.8462 117.6616 54.8090 34.1850 174.4257 124 L 5.0881 8.2202 123.4303 54.0050 45.2046 174.2260 125 E 4.9182 9.2799 124.2409 54.8480 32.6007 174.7379 126 T 4.9148 8.5014 111.5585 60.0471 72.1513 172.5643 127 E 4.9028 8.7679 119.9603 55.1271 33.5743 173.8824 128 T 5.0897 8.4551 110.2505 60.0282 71.9067 173.4961 129 L 4.6657 9.1008 123.9623 52.1579 44.7609 174.0801 130 P 4.7830 0.0000 0.0000 62.1733 31.3832 176.6748 131 A 4.0276 8.9586 125.8385 51.1553 19.0804 177.0208 132 P 4.2462 0.0000 0.0000 64.3543 31.5985 176.7583 133 F 4.9633 6.0299 112.2707 54.1423 40.2997 175.1146 134 A 4.1365 8.4696 124.0050 53.5472 18.6608 177.9569 135 G 4.0650 10.1824 108.5337 45.1723 0.0000 173.0222 136 F 4.7770 7.8303 121.3284 56.8646 43.1524 173.0998 137 T 4.9344 7.5854 121.6243 61.5845 72.2677 172.6788 138 L 4.6887 9.0760 129.3480 54.4955 44.0168 174.9135 139 F 5.3427 9.3372 128.3070 56.7200 42.1274 174.4421 140 R 5.2513 7.4175 123.6367 53.0035 34.9263 173.9386 *142 G 3.9906 8.3906 105.1946 46.7346 0.0000 172.1200 143 S 5.0862 8.7044 117.7202 56.7785 66.8212 172.3427 144 R 5.0546 8.7872 125.2649 54.7074 32.1441 175.1348 145 V 5.1587 9.0155 118.6724 59.5501 36.3194 174.3416 146 A 5.3052 9.0856 123.9431 50.4358 22.2595 175.2295 147 F 5.1718 8.5399 115.5734 55.0767 42.1160 172.0489 148 P 4.6689 0.0000 0.0000 62.6444 31.8014 177.6375 149 F 5.0651 8.9752 120.9470 59.2746 37.3309 175.9556 150 P 4.4814 0.0000 0.0000 64.8022 31.3383 177.4720 151 L 4.2752 8.2458 116.7845 55.2699 41.6014 177.7881 152 Y 4.2572 8.3353 121.2896 61.0937 38.6597 177.9594 153 Q 3.8044 8.2520 119.8559 59.1403 29.2611 177.9175 154 E 3.8918 8.0410 118.1559 59.0430 29.6592 179.1135 155 V 3.2725 7.6570 119.4422 65.7555 31.5423 178.0487 156 V 3.3782 7.4988 118.0988 66.2982 30.9191 178.1044 157 T 3.7938 8.0967 115.4550 66.5844 67.9964 176.5473 158 A 3.9687 8.0119 122.6762 55.1759 18.3833 179.7166 159 L 3.9877 8.3504 118.0211 57.5204 41.6047 179.8204 160 S 4.3296 8.0114 114.7679 61.3621 62.8839 176.6858 161 R 3.9045 7.7129 121.3626 59.0303 29.7506 179.0788 162 V 3.7803 7.5383 117.6242 66.1174 31.5200 177.6155 163 E 4.2214 8.2234 119.6116 58.9237 29.1311 179.4850 164 E 3.9356 7.9732 116.8728 59.5249 29.6998 178.7751 165 E 3.9289 8.5023 118.3623 58.3176 29.7877 177.7519 166 F 4.5873 8.3403 114.9491 55.7939 40.1563 175.6216 167 G 3.9618 8.1340 106.6069 46.8846 0.0000 174.0009 168 V 4.6955 7.7294 110.9994 59.4841 35.2558 174.6408 169 D 5.0892 9.1975 122.8056 52.9819 42.8467 175.6941 170 I 5.1435 9.2912 124.2715 59.6087 40.2458 174.7096 171 D 5.1625 9.3976 126.1986 52.4147 44.4994 174.9020 172 L 5.2310 8.7151 123.4078 53.6231 45.0140 175.1675 173 E 4.9392 9.4347 126.2701 54.1559 32.9829 175.2784 174 E 3.8728 9.0193 125.9088 56.2177 30.4317 176.2721 175 V 3.8076 8.2792 127.3801 62.3911 32.4845 176.1443 176 V 3.8621 8.1568 125.9497 62.9695 31.5786 174.9704 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 E 8.44 4.34 0.00 2.00 1.94 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 2.18 2.31 0.00 3 T 8.62 4.28 4.36 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 1.21 0.00 0.00 4 Q 9.47 4.65 0.00 1.94 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 5 S 8.13 5.14 0.00 3.82 3.56 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 6 F 9.38 5.24 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 7 V 8.99 4.85 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 0.98 0.00 0.00 0.96 0.00 0.00 8 V 9.06 5.11 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 1.30 0.00 0.00 1.05 0.00 0.00 9 S 8.98 5.19 0.00 3.86 3.77 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 10 V 8.42 5.17 2.30 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 1.17 0.00 0.00 1.18 0.00 0.00 11 A 9.36 5.35 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 12 G 8.45 3.57 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 0.00 0.00 0.00 13 S 8.23 4.85 0.00 3.65 3.77 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 14 D 9.08 4.84 0.00 2.66 2.65 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 0.00 0.00 0.00 0.00 15 R 8.19 4.58 0.00 1.94 1.88 0.00 3.12 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 16 V 8.13 3.60 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 0.80 0.00 0.00 0.95 0.00 0.00 17 G 8.92 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 18 I 7.68 3.34 1.20 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.64 -0.48 0.00 0.00 19 V 7.70 3.59 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 1.16 0.00 0.00 1.11 0.00 0.00 20 H 8.21 4.21 0.00 3.27 3.44 0.00 5.73 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 21 D 8.33 4.32 0.00 2.75 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 22 F 8.46 3.97 0.00 3.13 3.21 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 0.00 23 S 8.58 4.24 0.00 4.18 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 24 W 8.75 3.94 0.00 3.25 3.28 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 25 A 8.20 4.00 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 26 L 7.56 3.82 0.00 1.71 1.59 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.92 3.71 0.00 1.76 1.60 0.00 1.58 0.00 0.00 1.42 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.23 1.33 7.81 28 N 7.40 3.92 0.00 1.48 2.46 0.00 0.00 7.17 7.24 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 29 I 6.63 4.15 1.76 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.73 0.79 0.00 0.00 30 S 7.59 3.59 0.00 3.99 3.93 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 31 A 7.90 4.73 1.13 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 0.00 0.00 32 N 8.93 4.93 0.00 2.81 2.66 0.00 0.00 6.86 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 33 V 8.36 4.27 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 0.89 0.00 0.00 1.09 0.00 0.00 34 E 9.42 4.32 0.00 2.02 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 2.33 2.27 0.00 35 S 7.89 4.86 0.00 3.90 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 36 S 8.28 5.11 0.00 3.78 3.82 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 37 R 8.59 4.64 0.00 1.60 1.77 0.00 3.17 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 *39 A 8.32 4.10 1.16 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 40 C 8.20 5.17 0.00 2.92 2.84 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 41 L 9.02 4.30 0.00 1.68 1.44 0.92 0.86 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 42 G 10.03 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 0.00 0.00 0.00 0.00 43 G 8.49 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 44 D 8.20 5.43 0.00 2.84 2.61 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 45 F 9.34 5.36 0.00 3.38 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 46 A 7.95 5.57 1.10 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 *48 I 8.09 4.15 1.85 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 1.23 0.57 0.93 0.00 0.00 49 V 8.87 4.82 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.67 0.00 0.00 50 L 8.94 5.04 0.00 1.66 1.61 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 51 V 9.14 4.92 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 1.01 0.00 0.00 1.08 0.00 0.00 52 S 9.30 5.42 0.00 3.80 3.78 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 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0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.20 0.78 0.00 0.00 62 Q 8.08 3.92 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 63 S 8.19 4.06 0.00 3.94 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 64 A 8.11 3.98 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 65 L 8.01 3.89 0.00 1.67 1.71 0.85 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.20 4.01 0.00 2.08 2.04 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 2.39 2.55 0.00 67 S 7.90 4.22 0.00 3.90 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 68 A 7.88 4.20 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.98 4.76 0.00 1.75 1.26 0.79 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.63 0.00 2.21 2.09 0.00 3.89 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 71 G 8.95 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 72 F 7.83 4.25 0.00 3.19 3.09 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 73 Q 9.37 4.43 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 74 I 8.45 5.41 1.95 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 1.55 0.96 1.07 0.00 0.00 75 S 9.20 4.96 0.00 3.88 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 76 T 8.17 5.40 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 77 R 9.06 4.88 0.00 1.90 2.02 0.00 2.81 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 78 R 8.81 4.17 0.00 1.86 1.82 0.00 2.86 0.00 0.00 2.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 79 A 8.41 4.21 1.16 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 80 S 8.55 4.20 0.00 3.86 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 81 S 8.46 4.29 0.00 3.96 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 82 V 7.15 3.74 2.08 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 0.74 0.00 0.00 0.93 0.00 0.00 *87 V 7.98 3.88 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 0.71 0.00 0.00 0.94 0.00 0.00 88 S 8.41 4.15 0.00 3.85 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 89 P 0.00 4.31 0.00 2.25 2.19 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 90 D 8.14 4.83 0.00 2.61 2.29 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 91 T 7.90 4.38 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 1.24 0.00 0.00 92 R 9.08 4.68 0.00 1.50 1.30 0.00 3.11 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.83 0.00 93 E 8.19 5.05 0.00 1.76 1.74 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 2.26 2.23 0.00 94 Y 8.80 5.03 0.00 2.81 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 95 E 9.48 4.75 0.00 1.88 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 2.26 2.46 0.00 96 L 8.72 5.07 0.00 1.68 1.39 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.04 5.10 0.00 2.92 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.45 5.03 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.10 0.43 0.49 0.00 0.00 107 V 7.18 3.45 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 1.03 0.00 0.00 0.87 0.00 0.00 108 E 8.00 3.83 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 109 A 7.83 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.84 3.49 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 1.04 0.00 0.00 0.92 0.00 0.00 111 T 8.02 3.91 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 1.21 0.00 0.00 112 A 8.17 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 0.00 113 V 7.39 3.46 2.21 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 0.91 0.00 0.00 0.89 0.00 0.00 114 L 7.66 3.82 0.00 1.84 1.69 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.18 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 0.00 116 K 8.02 3.93 0.00 1.91 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.57 7.81 117 K 7.76 4.32 0.00 1.51 1.58 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.36 7.81 118 G 7.76 3.85 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 0.00 0.00 0.00 119 A 8.07 4.57 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 0.00 120 N 9.22 4.86 0.00 2.89 2.72 0.00 0.00 6.92 8.60 0.00 0.00 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 I 8.28 4.45 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 0.92 0.00 0.00 122 V 9.13 4.12 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 0.74 0.00 0.00 0.94 0.00 0.00 123 E 7.85 4.85 0.00 1.87 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 2.27 2.28 0.00 124 L 8.22 5.09 0.00 1.58 1.48 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 E 9.28 4.92 0.00 1.89 1.81 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 2.18 2.21 0.00 126 T 8.50 4.91 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 1.28 0.00 0.00 127 E 8.77 4.90 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 128 T 8.46 5.09 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 1.36 0.00 0.00 129 L 9.10 4.67 0.00 1.54 1.60 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.78 0.00 1.91 1.96 0.00 3.67 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 2.02 2.09 0.00 131 A 8.96 4.03 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.11 2.14 0.00 3.10 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 133 F 6.03 4.96 0.00 3.29 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 0.00 134 A 8.47 4.14 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 0.00 135 G 10.18 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 7.83 4.78 0.00 3.36 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 0.00 137 T 7.59 4.93 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 1.18 0.00 0.00 138 L 9.08 4.69 0.00 2.06 1.72 1.20 0.62 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 0.00 139 F 9.34 5.34 0.00 3.23 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 0.00 140 R 7.42 5.25 0.00 1.54 1.64 0.00 3.17 0.00 0.00 3.32 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.33 0.00 *142 G 8.39 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 0.00 0.00 0.00 143 S 8.70 5.09 0.00 3.82 3.58 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 0.00 144 R 8.79 5.05 0.00 1.88 1.72 0.00 3.13 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 145 V 9.02 5.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.17 0.00 0.00 146 A 9.09 5.31 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 0.00 0.00 0.00 0.00 0.00 0.00 147 F 8.54 5.17 0.00 3.15 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 0.00 148 P 0.00 4.67 0.00 2.22 1.96 0.00 3.81 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 149 F 8.98 5.07 0.00 3.40 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.48 0.00 1.93 2.09 0.00 3.33 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.38 0.00 151 L 8.25 4.28 0.00 1.72 1.50 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 152 Y 8.34 4.26 0.00 3.40 3.18 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 0.00 153 Q 8.25 3.80 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 154 E 8.04 3.89 0.00 2.16 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 2.48 2.22 0.00 155 V 7.66 3.27 1.74 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 0.67 0.00 0.00 0.11 0.00 0.00 156 V 7.50 3.38 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.14 0.00 0.00 157 T 8.10 3.79 4.29 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 1.18 0.00 0.00 158 A 8.01 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.35 3.99 0.00 1.75 1.71 0.87 0.64 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 0.00 160 S 8.01 4.33 0.00 4.06 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 0.00 161 R 7.71 3.90 0.00 2.07 2.04 0.00 3.12 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 162 V 7.54 3.78 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 1.08 0.00 0.00 1.00 0.00 0.00 163 E 8.22 4.22 0.00 2.35 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 2.57 2.45 0.00 164 E 7.97 3.94 0.00 2.11 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 2.58 2.46 0.00 165 E 8.50 3.93 0.00 1.93 1.94 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 1.60 2.09 0.00 166 F 8.34 4.59 0.00 3.20 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 0.00 167 G 8.13 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 0.00 168 V 7.73 4.70 2.21 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 1.04 0.00 0.00 1.02 0.00 0.00 169 D 9.20 5.09 0.00 2.61 2.63 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 0.00 170 I 9.29 5.14 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 1.30 0.68 1.00 0.00 0.00 171 D 9.40 5.16 0.00 2.85 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 0.00 172 L 8.72 5.23 0.00 1.64 1.62 1.12 0.84 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 0.00 173 E 9.43 4.94 0.00 2.05 1.90 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 2.42 2.54 0.00 174 E 9.02 3.87 0.00 1.76 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 0.00 1.89 1.47 0.00 175 V 8.28 3.81 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 0.68 0.00 0.00 0.84 0.00 0.00 176 V 8.16 3.86 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 0.78 0.00 0.00 0.83 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.