NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.6384 8.1548 119.4682 56.2359 31.7843 173.9827 6 K 4.6118 8.3625 120.0172 53.7876 37.4639 173.2947 7 K 4.5165 9.8135 122.5932 54.7403 35.2860 174.0626 8 L 4.9047 9.0323 131.1400 53.4439 44.0742 174.9658 9 V 4.9205 8.1963 126.7923 61.2532 33.7710 174.3255 10 I 4.6530 8.3866 128.0265 60.1331 39.9004 175.0645 11 V 4.2184 7.6224 118.6567 59.1014 36.1336 174.1913 12 G 3.8291 7.0462 111.2249 46.0189 0.0000 171.3626 13 D 5.0872 8.2203 120.2046 53.3695 41.0708 176.2928 14 G 3.6650 8.6708 109.3196 46.8348 0.0000 173.7532 15 A 3.6969 8.5522 125.7077 53.5966 16.1007 176.9007 16 C 4.5923 7.5657 111.0301 61.3547 28.3078 174.4561 17 G 3.8533 8.1725 106.0238 47.2562 0.0000 177.4140 18 K 3.9506 8.1495 119.8134 59.5883 32.0477 178.9786 19 T 3.9381 7.7784 115.4178 66.8699 68.4731 176.4974 20 C 4.0539 7.9237 118.2044 62.5189 28.3176 175.6707 21 L 3.9907 7.5487 120.8396 58.1936 41.6636 179.0887 22 L 4.0635 7.4534 117.5976 57.4725 41.5329 179.4628 23 I 3.4199 6.9214 121.1146 63.6310 36.9902 178.5977 24 V 3.8573 7.5063 120.0024 65.2649 31.0873 177.9317 25 F 4.4018 7.5963 118.9979 61.1884 39.3830 177.3528 26 S 3.6369 7.9355 113.2161 59.8659 62.4915 175.7498 27 K 4.0803 7.5655 120.6413 57.1496 33.1776 177.0755 28 D 4.8016 9.6891 115.4317 54.0562 40.2290 173.4866 29 Q 4.6203 7.5243 114.9976 54.0333 32.1644 172.9510 30 F 4.4308 8.7587 125.8868 57.2412 40.0082 174.2809 31 P 3.8092 0.0000 0.0000 63.5933 31.3213 175.3802 32 E 3.6492 8.6323 117.3151 58.5158 26.7872 175.1179 33 V 3.6270 8.0478 112.9499 63.6990 30.2965 171.2174 34 Y 4.6162 7.4056 118.0583 54.8510 39.4937 175.3153 35 V 3.3174 8.0936 127.6542 61.8930 31.2917 174.1929 36 P 4.0884 0.0000 0.0000 62.2118 32.5472 175.8852 37 T 4.3338 8.2430 112.0123 64.1635 71.0820 174.5234 38 V 4.1744 7.7875 120.4730 60.9351 32.6878 174.5999 39 F 4.7641 8.5315 130.2697 56.0332 39.3547 174.4166 40 E 3.8894 8.0824 126.8173 55.4788 29.9893 176.7892 41 N 4.3295 8.3174 119.1176 53.5702 39.3794 173.5382 42 Y 4.4126 8.4317 125.1684 55.5138 41.3210 174.4638 43 V 4.2590 8.0742 127.3948 62.4977 32.0975 174.8378 44 A 4.7846 8.7911 129.6348 50.1987 22.4141 174.4900 45 D 4.6162 8.4815 120.0703 53.0761 41.8059 176.8055 *54 E 4.4542 8.5635 122.9829 56.3514 30.5852 173.1958 55 L 4.6314 8.0361 124.6949 54.5105 43.9873 174.8686 56 A 5.0020 8.9720 128.5624 51.1287 20.6615 175.7331 57 L 5.3175 8.8487 121.9383 52.8936 44.5534 175.4896 58 W 5.1146 9.5565 124.6335 54.9997 31.5928 174.4447 59 D 5.1765 8.9897 125.1559 52.8057 41.0427 176.5642 60 T 4.7730 8.3858 114.2005 60.1542 69.1683 174.7851 61 A 4.2868 7.5164 125.2292 56.0447 18.3664 176.3354 62 G 4.2687 9.0247 111.8744 46.8079 0.0000 174.2851 63 Q 4.6577 7.5472 115.9823 56.1904 26.4601 176.3594 64 E 4.9364 8.0627 114.9783 56.5710 32.3468 176.8221 65 D 4.6760 8.0949 116.9222 53.8337 40.9128 176.0826 66 Y 4.6410 7.3807 118.4755 55.4074 38.9707 175.4512 67 D 4.5116 8.8814 123.5868 56.5630 39.2577 179.2984 68 R 4.3064 7.9295 116.6626 57.0378 30.9673 178.3601 69 L 4.1951 7.7843 118.1180 57.3992 41.5599 179.3319 70 R 3.7653 8.0429 117.7190 58.7406 30.2777 176.9774 71 P 3.8283 0.0000 0.0000 65.4130 30.9374 178.0609 72 L 4.1979 7.4129 116.0556 56.7876 41.6985 177.8845 73 S 4.8723 8.0757 113.4030 59.4343 63.3068 174.4875 74 Y 4.6427 7.1173 116.4158 58.8961 36.9856 174.6732 75 P 4.3846 0.0000 0.0000 63.5774 31.9346 175.6477 76 D 4.5845 8.5965 118.3770 55.6232 38.4687 173.9918 77 T 4.2259 7.1312 113.9044 63.2738 69.2299 174.5854 78 D 5.0440 7.7726 122.9992 53.9249 42.8030 176.4753 79 V 4.2725 7.0846 115.4025 60.8653 34.4182 171.8723 80 I 4.6991 7.9072 122.3356 59.3284 40.3044 175.8094 81 L 4.4498 7.9885 131.2596 53.5642 39.4846 176.6212 82 M 4.3539 7.9613 121.5295 55.9289 33.7887 175.3407 83 C 5.4587 8.6079 119.7144 57.5002 33.4649 172.6208 84 F 5.0591 8.3202 113.0961 55.5165 41.3758 173.2181 85 S 4.5653 8.4751 114.8372 57.5326 62.8040 174.4619 86 I 3.9699 8.4229 128.2317 64.5395 37.0529 177.2658 87 D 4.6492 7.9903 117.4553 53.1970 39.2373 176.9877 88 S 4.5569 7.9689 114.9187 56.4122 63.6485 173.0830 89 P 4.4537 0.0000 0.0000 65.1304 30.8729 177.8128 90 D 4.4330 8.1593 117.8719 56.7778 40.7506 177.8055 91 S 4.8363 8.4511 116.7175 60.0133 63.2136 176.0472 92 L 3.4852 7.7949 122.4977 57.2260 41.5840 177.8616 93 E 4.0591 7.8870 119.8113 58.7021 29.5839 177.3981 94 N 4.6699 7.7125 114.7354 53.4992 38.9979 177.2144 95 I 3.9845 7.6772 122.4831 63.7817 37.3831 175.9688 96 P 4.5536 0.0000 0.0000 63.7552 32.0546 176.8804 97 E 4.1770 7.4554 116.2432 58.2612 29.7551 176.7941 98 K 4.0935 7.7430 118.5279 58.0958 32.9397 178.0537 99 W 4.5056 7.7314 118.7263 59.6501 29.3084 178.2097 100 T 3.9807 8.2599 115.3883 66.7512 68.4489 174.7546 101 P 4.2697 0.0000 0.0000 65.5469 30.8305 178.3556 102 E 3.8846 7.8386 117.9022 59.1042 29.4959 179.0273 103 V 3.4754 8.1626 118.6492 65.9980 31.5808 177.9971 104 K 4.0989 7.8538 115.6324 58.2292 31.8399 178.2154 105 H 4.3125 7.2748 117.2235 58.8753 30.2222 176.6949 106 F 4.6689 7.4975 116.0108 58.7411 39.9236 175.8886 107 C 4.8150 8.2042 116.3461 57.3179 28.6620 170.8012 108 P 4.5066 0.0000 0.0000 63.3240 31.9655 176.6880 109 N 4.2031 8.7877 117.9418 53.7352 36.4791 173.7135 110 V 4.3648 7.1852 118.2891 60.5261 32.2100 174.1548 111 P 4.6594 0.0000 0.0000 63.2660 32.6474 174.9404 112 I 4.9595 8.3227 120.0340 59.6725 41.0118 174.3133 113 I 4.9488 8.7152 127.6801 59.2845 39.5819 174.6919 114 L 4.6924 8.1968 130.5359 54.8976 43.3712 175.7982 115 V 4.5820 8.6275 124.8928 60.9613 35.3690 174.3622 116 G 3.4829 8.5215 115.4218 44.4805 0.0000 172.6022 117 N 4.7324 8.2716 124.5873 51.8448 40.4237 175.2692 118 K 3.9150 8.5016 117.5226 56.3998 29.5737 176.9609 119 K 3.9619 8.2774 120.5837 59.9826 32.5519 178.7967 120 D 4.3868 8.0412 119.9553 56.2064 39.0754 177.7097 121 L 4.3161 7.4199 117.7926 55.5452 41.7197 178.6755 122 R 4.0451 7.6923 119.6629 59.6553 30.2368 177.2867 123 N 4.4585 7.6273 113.4104 55.6245 38.7998 175.4728 124 D 4.4444 7.9923 119.0126 53.8729 42.0361 176.7070 125 E 4.0181 8.8567 125.3137 59.6945 29.4343 178.6414 126 H 4.1993 8.5288 118.9758 58.5170 30.0093 176.1726 127 T 4.2424 7.6819 109.8012 62.3766 69.2238 176.8340 128 R 4.1529 7.6397 121.2513 59.1448 30.2170 178.6329 129 R 4.0036 7.8602 117.3253 58.8783 29.7819 178.7269 130 E 3.7871 7.4686 118.9635 59.2192 30.0659 178.5598 131 L 4.1411 7.6751 117.5207 57.6173 41.8374 179.2100 132 A 4.0585 8.0780 120.7641 54.8505 17.9675 179.7670 133 K 3.9206 7.3518 116.2431 59.9964 32.3076 178.7785 134 M 4.2567 7.7041 114.3388 54.8136 32.3378 176.2176 135 K 3.8512 7.8342 117.2576 57.7890 30.2169 173.9734 136 Q 4.6712 7.6143 116.1978 55.1386 32.8937 174.2318 137 E 4.7329 8.2596 113.7904 54.9461 31.8649 173.1392 138 P 4.2522 0.0000 0.0000 62.6186 31.8295 176.6129 139 V 3.7134 8.3767 122.6729 62.6715 32.0169 176.0482 140 K 4.3535 8.7041 126.6940 55.5475 32.9962 176.4148 141 P 4.4298 0.0000 0.0000 65.8941 31.3955 178.3126 142 E 4.1934 8.1799 114.2235 57.3254 29.5386 177.4309 143 E 4.4445 8.0491 119.7360 58.0552 30.4267 178.5004 144 G 3.3656 7.7826 105.3294 47.5479 0.0000 175.9051 145 R 3.4309 7.3785 120.3473 59.0522 30.0829 178.9267 146 D 4.2594 7.8591 118.0531 57.3401 40.7747 178.4924 147 M 3.9204 7.6376 118.6054 58.3492 32.2291 178.0578 148 A 4.0364 7.9201 120.9312 55.2318 18.3606 179.1896 149 N 4.1952 8.0493 113.7998 56.5677 38.7610 176.9960 150 R 4.0247 7.6205 118.7012 59.6213 30.1981 178.0442 151 I 4.0310 7.7794 110.9626 61.0718 39.3171 175.4799 152 G 3.5853 8.4413 107.7936 45.6576 0.0000 172.4856 153 A 4.6214 7.2965 121.0372 51.0101 20.8765 177.5844 154 F 4.1604 9.9587 123.8913 60.9594 38.7313 176.1888 155 G 4.1421 7.8012 101.3354 45.6924 0.0000 171.8293 156 Y 5.0522 8.9445 126.1820 57.2431 39.8395 174.2527 157 M 4.7120 8.2845 124.6682 53.6216 36.9482 173.9185 158 E 4.9715 8.1350 118.3323 55.3275 34.1021 174.5190 159 C 5.1046 8.3649 115.5842 59.0372 33.7000 172.1403 160 S 4.8721 8.2004 111.5833 57.0923 64.7666 175.2683 161 A 4.2089 8.8030 129.5404 54.9349 18.7392 179.1329 162 K 4.0083 8.1029 115.0484 59.6796 32.4127 178.6735 163 T 3.8755 7.7709 107.3095 62.6678 68.8515 175.5059 164 K 3.9239 8.3109 119.2306 56.5066 30.5159 174.4045 165 D 4.6039 8.2949 120.6212 54.4618 41.8184 177.3838 166 G 3.8814 8.8697 113.7862 46.2906 0.0000 175.3473 167 V 3.3783 7.4022 118.6317 65.8574 31.6182 177.6810 168 R 3.9167 8.0202 117.8460 59.8198 29.8842 178.2507 169 E 4.1994 8.1002 117.3722 59.0023 29.4027 179.4629 170 V 3.3848 7.5222 118.7235 65.9292 31.5750 178.1574 171 F 4.2198 7.5093 117.2865 60.1892 38.4914 177.2907 172 E 4.0641 8.6534 119.6073 59.3968 29.3344 178.6208 173 M 4.0373 7.7997 117.8405 58.3829 32.1413 178.0954 174 A 3.9279 7.9861 120.3850 54.9775 18.8666 179.6231 175 T 4.0070 8.3410 114.9208 66.8345 68.8014 177.3322 176 R 3.9375 7.7232 120.1964 59.0674 30.0605 178.3752 177 A 2.7505 7.7867 120.7492 54.3831 17.9932 179.3180 178 A 3.9597 7.3957 117.7074 54.6322 18.4053 179.5257 179 L 4.1167 7.2725 116.8619 57.0672 41.8052 177.1353 180 Q 4.2677 7.6978 120.8412 55.9999 29.3540 175.1241 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 5 R 8.15 4.64 0.00 1.71 1.93 0.00 3.17 0.00 0.00 3.29 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 6 K 8.36 4.61 0.00 1.68 1.62 0.00 1.68 0.00 0.00 1.93 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.42 7.81 7 K 9.81 4.52 0.00 1.56 1.53 0.00 1.15 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.63 0.70 7.81 8 L 9.03 4.90 0.00 1.75 1.78 1.15 0.80 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 9 V 8.20 4.92 2.20 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 1.05 0.00 0.00 0.86 0.00 0.00 10 I 8.39 4.65 1.97 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 1.19 1.12 1.00 0.00 0.00 11 V 7.62 4.22 1.31 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 0.77 0.00 0.00 0.82 0.00 0.00 12 G 7.05 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 13 D 8.22 5.09 0.00 2.90 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 14 G 8.67 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.55 3.70 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 16 C 7.57 4.59 0.00 3.19 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.17 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 18 K 8.15 3.95 0.00 1.81 1.86 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 19 T 7.78 3.94 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 1.23 0.00 0.00 20 C 7.92 4.05 0.00 2.93 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 21 L 7.55 3.99 0.00 1.89 1.83 0.82 0.40 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 22 L 7.45 4.06 0.00 1.02 0.59 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 23 I 6.92 3.42 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.34 0.74 0.00 0.00 24 V 7.51 3.86 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 1.20 0.00 0.00 1.13 0.00 0.00 25 F 7.60 4.40 0.00 3.06 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.94 3.64 0.00 2.75 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 27 K 7.57 4.08 0.00 1.80 1.80 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.26 7.81 28 D 9.69 4.80 0.00 2.76 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 29 Q 7.52 4.62 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 30 F 8.76 4.43 0.00 3.09 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 31 P 0.00 3.81 0.00 1.76 1.80 0.00 3.41 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.60 0.00 32 E 8.63 3.65 0.00 2.15 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 2.24 2.21 0.00 33 V 8.05 3.63 2.20 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 0.86 0.00 0.00 1.18 0.00 0.00 34 Y 7.41 4.62 0.00 2.76 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 35 V 8.09 3.32 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 0.75 0.00 0.00 0.93 0.00 0.00 36 P 0.00 4.09 0.00 1.92 1.81 0.00 3.40 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 37 T 8.24 4.33 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 1.23 0.00 0.00 38 V 7.79 4.17 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 0.77 0.00 0.00 0.94 0.00 0.00 39 F 8.53 4.76 0.00 2.87 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.08 3.89 0.00 1.82 1.69 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 2.19 2.23 0.00 41 N 8.32 4.33 0.00 2.35 2.65 0.00 0.00 7.03 7.46 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 42 Y 8.43 4.41 0.00 2.69 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 43 V 8.07 4.26 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 0.76 0.00 0.00 0.90 0.00 0.00 44 A 8.79 4.78 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 45 D 8.48 4.62 0.00 2.54 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 *54 E 8.56 4.45 0.00 1.95 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 2.28 2.15 0.00 55 L 8.04 4.63 0.00 1.82 1.63 0.99 1.19 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 56 A 8.97 5.00 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 57 L 8.85 5.32 0.00 2.01 1.95 1.23 0.96 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 58 W 9.56 5.11 0.00 3.31 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 59 D 8.99 5.18 0.00 2.94 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 60 T 8.39 4.77 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 1.36 0.00 0.00 61 A 7.52 4.29 1.47 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 62 G 9.02 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 63 Q 7.55 4.66 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.54 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 64 E 8.06 4.94 0.00 2.05 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 0.00 2.53 2.50 0.00 65 D 8.09 4.68 0.00 1.70 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.38 4.64 0.00 3.10 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 67 D 8.88 4.51 0.00 2.84 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 68 R 7.93 4.31 0.00 1.89 2.09 0.00 3.48 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 69 L 7.78 4.20 0.00 1.78 1.70 0.77 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.04 3.77 0.00 1.92 1.83 0.00 3.55 0.00 0.00 3.73 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 71 P 0.00 3.83 0.00 2.03 1.08 0.00 3.56 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 2.20 1.79 0.00 72 L 7.41 4.20 0.00 1.67 1.72 0.90 0.95 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 73 S 8.08 4.87 0.00 3.64 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 74 Y 7.12 4.64 0.00 2.95 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.38 0.00 2.20 2.01 0.00 3.85 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 76 D 8.60 4.58 0.00 2.78 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 77 T 7.13 4.23 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 1.23 0.00 0.00 78 D 7.77 5.04 0.00 2.41 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 79 V 7.08 4.27 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 0.82 0.00 0.00 0.83 0.00 0.00 80 I 7.91 4.70 1.87 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 1.26 0.82 0.96 0.00 0.00 81 L 7.99 4.45 0.00 1.50 1.55 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 82 M 7.96 4.35 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 83 C 8.61 5.46 0.00 2.97 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.32 5.06 0.00 3.10 3.22 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 85 S 8.48 4.57 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 8.42 3.97 1.85 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 1.35 1.15 0.98 0.00 0.00 87 D 7.99 4.65 0.00 2.81 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 88 S 7.97 4.56 0.00 3.93 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 89 P 0.00 4.45 0.00 2.32 2.33 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 90 D 8.16 4.43 0.00 2.70 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 91 S 8.45 4.84 0.00 4.25 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 0.00 92 L 7.79 3.49 0.00 1.36 1.84 0.77 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.89 4.06 0.00 2.07 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 2.29 2.37 0.00 94 N 7.71 4.67 0.00 2.94 2.69 0.00 0.00 6.95 7.26 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 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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 1.02 0.00 0.00 1.06 0.00 0.00 104 K 7.85 4.10 0.00 1.79 1.85 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.58 7.81 105 H 7.27 4.31 0.00 3.00 3.18 0.00 5.94 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 0.00 106 F 7.50 4.67 0.00 2.96 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 0.00 107 C 8.20 4.82 0.00 2.87 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 0.00 108 P 0.00 4.51 0.00 2.02 1.95 0.00 3.81 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 2.00 2.19 0.00 109 N 8.79 4.20 0.00 2.88 2.95 0.00 0.00 6.91 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 0.00 110 V 7.19 4.36 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 0.79 0.00 0.00 1.01 0.00 0.00 111 P 0.00 4.66 0.00 2.12 2.34 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 112 I 8.32 4.96 1.93 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 1.37 0.99 0.96 0.00 0.00 113 I 8.72 4.95 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.14 0.90 0.00 0.00 114 L 8.20 4.69 0.00 2.08 1.84 1.36 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.63 4.58 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.71 0.00 0.00 116 G 8.52 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.27 4.73 0.00 2.58 2.63 0.00 0.00 6.75 7.13 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 0.00 118 K 8.50 3.92 0.00 1.92 1.80 0.00 1.94 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.32 7.81 119 K 8.28 3.96 0.00 1.95 2.01 0.00 1.28 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.41 7.81 120 D 8.04 4.39 0.00 2.86 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 0.00 121 L 7.42 4.32 0.00 1.76 1.76 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.69 4.05 0.00 1.84 2.08 0.00 3.27 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 123 N 7.63 4.46 0.00 2.80 2.86 0.00 0.00 7.05 7.94 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 0.00 124 D 7.99 4.44 0.00 2.71 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 0.00 125 E 8.86 4.02 0.00 2.24 2.20 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 2.37 2.39 0.00 126 H 8.53 4.20 0.00 3.28 3.35 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.68 4.24 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 1.26 0.00 0.00 128 R 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 137 E 8.26 4.73 0.00 2.04 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 2.19 2.33 0.00 138 P 0.00 4.25 0.00 2.09 2.07 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 139 V 8.38 3.71 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 0.94 0.00 0.00 1.03 0.00 0.00 140 K 8.70 4.35 0.00 1.88 1.74 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.48 7.81 141 P 0.00 4.43 0.00 2.24 2.24 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 142 E 8.18 4.19 0.00 1.93 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 2.30 2.38 0.00 143 E 8.05 4.44 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 144 G 7.78 3.37 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 0.00 145 R 7.38 3.43 0.00 1.73 1.87 0.00 3.10 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 1.65 1.49 0.00 146 D 7.86 4.26 0.00 2.82 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.64 3.92 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 148 A 7.92 4.04 1.45 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 0.00 149 N 8.05 4.20 0.00 2.65 2.87 0.00 0.00 7.02 8.52 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 0.00 150 R 7.62 4.02 0.00 1.96 2.11 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 151 I 7.78 4.03 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.77 0.96 0.00 0.00 152 G 8.44 3.59 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 0.00 0.00 0.00 153 A 7.30 4.62 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 0.00 154 F 9.96 4.16 0.00 2.95 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 0.00 155 G 7.80 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 0.00 0.00 0.00 156 Y 8.94 5.05 0.00 2.98 2.91 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 0.00 157 M 8.28 4.71 0.00 1.69 1.65 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 158 E 8.14 4.97 0.00 1.63 1.64 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 2.04 1.83 0.00 159 C 8.36 5.10 0.00 2.99 2.95 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 0.00 160 S 8.20 4.87 0.00 3.92 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 0.00 161 A 8.80 4.21 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 0.00 162 K 8.10 4.01 0.00 1.67 1.67 0.00 1.79 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.39 7.81 163 T 7.77 3.88 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 1.17 0.00 0.00 164 K 8.31 3.92 0.00 2.06 2.03 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.39 7.81 165 D 8.29 4.60 0.00 2.68 2.50 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 0.00 166 G 8.87 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 0.00 167 V 7.40 3.38 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.93 0.00 0.00 168 R 8.02 3.92 0.00 2.05 1.96 0.00 3.34 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 169 E 8.10 4.20 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 170 V 7.52 3.38 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 0.51 0.00 0.00 0.75 0.00 0.00 171 F 7.51 4.22 0.00 2.60 2.43 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 0.00 172 E 8.65 4.06 0.00 2.14 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 0.00 2.32 2.33 0.00 173 M 7.80 4.04 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 174 A 7.99 3.93 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 0.00 175 T 8.34 4.01 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 1.23 0.00 0.00 176 R 7.72 3.94 0.00 1.97 1.96 0.00 3.17 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 177 A 7.79 2.75 0.29 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 0.00 178 A 7.40 3.96 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 0.00 179 L 7.27 4.12 0.00 1.89 1.75 0.94 0.81 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 0.00 180 Q 7.70 4.27 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.