NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5338 8.1633 118.3397 55.2026 33.7459 173.6832 2 N 4.9960 9.0143 117.7899 52.0203 40.1004 172.8405 3 I 4.8670 9.1080 125.4213 59.4011 40.8695 174.4911 4 V 4.6641 8.1226 125.7017 61.0888 34.2979 174.1699 5 V 4.6946 8.4147 127.6539 61.1416 34.1841 174.0280 6 L 5.2338 8.8922 127.6763 53.0007 44.2751 175.6059 7 I 5.4059 9.0436 116.2301 58.5224 41.3222 175.8116 8 S 4.9730 8.9728 114.3022 57.8930 66.3981 174.5437 9 G 4.1991 7.4520 110.9482 44.4249 0.0000 174.1837 10 N 4.3070 9.2755 121.5829 56.3317 38.9292 176.1058 11 G 4.0265 8.4042 105.0899 45.9295 0.0000 175.3067 12 S 4.2066 8.2461 117.6179 61.2330 63.0478 175.6727 13 N 4.4652 8.1982 119.7059 55.7250 38.3564 176.9390 14 L 3.8801 7.8056 121.4503 58.1905 42.1706 178.6402 15 Q 3.8889 8.1484 119.1855 59.2214 29.0219 178.1017 16 A 3.9140 7.8974 121.6688 55.0095 18.2712 179.8463 17 I 3.5852 7.4561 117.9648 64.5046 37.1609 178.4188 18 I 3.6419 7.9450 121.0212 64.7381 37.0016 178.2871 19 D 4.2954 8.3783 119.5396 57.2845 40.6465 178.7482 20 A 4.0466 8.1529 121.2141 55.0891 18.1792 179.4369 21 C 4.1647 8.1874 115.5880 62.4531 27.9497 176.3667 22 K 4.0474 8.0032 120.1509 59.5056 31.4620 178.6359 23 T 4.3157 7.8822 108.2708 60.8837 68.5646 174.1993 24 N 4.8142 7.6307 117.4214 54.9188 38.1123 175.5519 25 K 4.1575 7.6208 117.3143 57.9415 32.4750 177.7119 26 I 4.3519 7.5232 118.8919 59.6899 38.7498 176.6410 27 K 4.2422 8.2830 127.6638 53.5164 30.4027 174.4139 28 G 4.1357 7.0953 107.8727 45.9190 0.0000 170.5567 29 T 4.6981 8.4970 115.8492 61.5155 72.4588 174.0647 30 V 4.1838 8.5094 126.8288 62.9580 31.1658 175.5519 31 R 4.3577 8.9077 128.4077 58.1411 31.1571 176.8808 32 A 4.4454 7.3699 118.0044 50.5968 22.7345 175.2922 33 V 4.7936 8.4807 119.7582 61.0356 35.0407 174.4213 34 F 5.1963 9.2614 125.7222 55.7603 42.3289 174.2212 35 S 5.8912 9.3453 116.4898 55.7064 66.0384 173.6100 36 N 6.0622 9.1625 120.9963 52.0294 38.5160 174.4673 37 K 4.5671 8.2739 119.9859 54.5884 34.7542 177.1647 38 A 4.0959 8.8528 127.4579 54.6033 18.5405 177.4447 39 D 4.6215 7.9975 112.7029 52.9726 40.3581 176.4389 40 A 4.0360 7.7915 124.4020 52.8186 18.7982 178.6194 41 F 4.3647 9.1165 125.1464 60.8831 39.4343 177.3085 42 G 3.6089 8.3053 105.5865 47.7757 0.0000 175.6680 43 L 3.9439 7.8807 121.2090 57.5299 41.5398 179.0891 44 E 3.7553 7.8657 119.3886 58.7797 29.4502 179.1075 45 R 3.6608 7.2679 117.6188 58.9176 30.1325 178.4368 46 A 3.8498 7.7970 120.4666 55.1735 18.3859 179.3250 47 R 3.7487 7.9629 117.2464 60.0524 29.8790 178.7563 48 Q 3.9912 7.8241 115.6245 58.2549 28.7357 177.6324 49 A 4.4104 7.5415 118.9929 51.1428 19.1984 177.0568 50 G 3.7520 7.9374 105.3086 46.7062 0.0000 173.6658 51 I 4.4659 7.5711 119.8090 58.5017 39.3326 176.1102 52 A 3.9594 8.5185 128.1356 52.9161 19.0829 176.4015 53 T 4.8946 8.2210 118.3526 62.1469 72.0209 173.5315 54 H 4.7678 8.3533 119.9920 54.6163 33.6101 172.4992 55 T 5.1371 8.6535 119.0472 61.8241 71.0757 173.3091 56 L 4.8565 9.1117 127.0991 53.1546 44.2163 175.5122 57 I 4.8815 8.5288 124.8645 59.6570 38.9614 176.7522 58 A 4.3718 9.1633 130.1308 55.4961 18.4893 179.7082 59 S 4.2150 8.3532 108.6275 61.4654 62.8405 175.4384 60 A 4.0520 7.8814 121.9769 53.4053 18.1929 176.8314 61 F 4.8523 8.3354 114.1774 55.3495 42.2103 174.9567 62 D 4.6156 8.9142 121.8877 56.6386 41.7382 176.9342 63 S 4.7397 7.7974 111.8901 55.7760 67.0562 174.9773 64 R 3.8842 8.6610 122.0821 59.6811 29.7494 178.8274 65 E 3.9661 8.2658 118.1185 59.2396 29.6492 178.5064 66 A 4.0379 7.9415 120.5369 55.2342 18.3896 178.9183 67 Y 2.4478 7.8671 117.8887 60.7241 38.7959 178.2457 68 D 4.5166 8.2768 119.7403 57.1137 40.8942 178.7876 69 R 3.8663 8.3007 119.7361 59.4632 30.0663 178.2753 70 E 3.9785 8.0488 119.1378 59.0773 29.6230 178.3016 71 L 3.8164 8.0275 120.8236 58.2743 42.0747 179.1570 72 I 3.7990 8.1524 119.8775 64.4956 36.8048 177.7147 73 H 4.0260 8.0398 117.9361 59.5567 29.8755 176.8644 74 E 4.1863 8.4885 120.3553 59.4530 29.3840 179.3710 75 I 3.9232 7.8314 119.9625 64.4325 37.1464 177.9402 76 D 4.6124 8.2367 118.9275 56.6277 40.4870 178.4364 77 M 3.9676 7.4217 117.5785 57.7421 31.8119 177.0720 78 Y 4.4647 7.4512 113.8957 56.1900 39.6330 175.8687 79 A 3.8126 7.7309 121.5571 52.6035 16.3748 175.6648 80 P 4.6323 0.0000 0.0000 62.4035 32.6860 176.9547 81 D 5.0280 9.0442 120.7463 55.1143 42.3183 176.9825 82 V 4.5909 7.6168 116.5241 59.8088 35.6076 174.5394 83 V 4.3624 8.3658 121.3770 61.1781 34.6707 174.0775 84 V 4.5474 8.5392 128.1906 61.1221 32.3452 174.2043 85 L 4.8835 8.9715 128.4640 53.6995 43.2904 175.3836 86 A 4.7930 9.3916 127.5973 49.4963 19.8588 175.8481 87 G 3.6923 8.7223 109.8017 46.2659 0.0000 171.0095 88 F 4.4692 8.3351 122.0178 57.9598 39.6203 174.6939 89 M 4.2949 8.1801 127.3081 55.1102 32.0243 176.0301 90 R 4.4050 6.3902 117.5558 54.0451 32.5305 175.7752 91 I 4.0385 7.9303 121.9153 60.8901 38.0256 175.4131 92 L 4.5024 8.2030 124.6084 53.0659 43.2816 177.4229 93 S 4.4392 8.8907 118.3460 57.4416 65.0870 173.5167 94 P 4.5965 0.0000 0.0000 65.4710 31.1492 178.7263 95 A 4.0314 8.0354 118.6654 54.6837 18.3675 179.4360 96 F 3.8623 7.8144 118.9500 61.4345 39.3882 177.4579 97 V 3.7695 7.9655 116.5811 66.4547 31.4825 177.7189 98 S 4.2251 8.3519 112.6176 61.3545 61.9485 175.5058 99 H 3.9330 7.7410 120.1015 58.2269 29.6442 175.4312 100 Y 4.5362 7.3164 116.7010 57.0400 38.3586 174.9381 101 A 4.0928 7.3403 123.5425 54.5457 18.4344 179.1569 102 G 3.9085 10.1257 112.1049 45.2679 0.0000 173.2631 103 R 4.7847 8.4900 117.6097 55.4856 29.9118 175.0131 104 L 5.0656 8.3643 121.6075 54.7461 45.1092 174.9521 105 L 5.1739 8.5839 126.4512 53.4375 44.8254 175.2170 106 N 5.4840 8.3712 118.0858 52.2892 43.0817 172.7311 107 I 4.6229 7.5861 121.8982 59.2872 40.1845 174.0530 108 H 4.8883 9.2746 129.5696 53.5185 32.8627 171.5233 109 P 5.0381 0.0000 0.0000 60.0248 29.1157 174.7948 110 S 4.5011 7.6505 118.8275 59.5847 65.9098 178.0456 111 L 4.3899 8.8027 121.9523 54.7628 39.5744 177.6098 112 L 4.6226 10.2522 126.3486 53.8084 42.8003 175.0145 *113 P 5.8500 0.0000 0.0000 62.7737 29.6402 177.6453 *114 K 4.7363 7.3002 121.5068 53.8374 34.8019 178.6755 *115 Y 4.7360 8.6529 119.5160 57.2906 39.2257 171.7981 *116 P 4.5326 0.0000 0.0000 63.6207 29.8687 179.4288 117 G 4.0643 7.6516 117.0472 45.5475 0.0000 179.9872 *118 L 3.2552 9.5782 123.0083 52.2029 41.4406 174.7411 *119 H 4.2274 8.5099 117.2329 56.4541 26.1675 179.3058 *120 T 4.3220 8.0712 116.0063 63.5634 69.2728 178.6604 *121 H 4.4571 8.2739 117.4857 57.4728 28.9913 181.1063 *122 R 4.3031 7.8083 121.7628 56.4137 31.7400 177.7570 *127 N 4.7930 8.1553 115.5360 52.1448 38.6321 172.2596 128 G 3.9615 7.6589 103.6125 47.6887 0.0000 170.8922 129 D 4.4130 8.3058 118.8939 54.1551 42.1265 180.1600 130 E 4.5421 7.9201 120.8431 57.5604 33.4482 175.2207 131 E 3.5925 8.4343 116.8475 58.0760 26.7614 172.7819 132 H 4.6992 7.2046 116.3527 54.3567 32.8179 174.8703 133 G 4.1409 7.7155 108.0711 47.0883 0.0000 170.7833 134 T 5.0539 7.4924 113.0057 60.9792 71.3675 174.1657 135 S 5.1323 9.1249 122.1693 56.6142 67.0336 172.6631 136 V 4.6357 8.2998 122.4971 61.7717 32.9724 174.3359 137 H 5.3695 8.8869 122.3090 53.7045 32.4316 172.6603 138 F 4.5473 8.9001 119.1275 57.6657 39.5367 175.2430 139 V 4.1682 8.7877 123.9406 62.7152 32.1234 175.2751 140 T 4.8731 8.4246 122.7750 61.4756 72.4159 174.3960 141 D 4.3354 8.5551 120.8623 57.1029 41.1691 176.1908 142 E 4.2798 8.1259 118.4156 55.6819 28.6703 175.6915 143 L 4.1091 8.4219 125.9554 56.5636 42.3543 176.7496 144 D 4.4811 9.1397 122.7758 54.9494 40.3049 173.2712 145 G 4.1309 8.0220 106.2620 45.8526 0.0000 173.1595 146 G 4.2773 8.4034 107.0906 43.2501 0.0000 172.3474 147 P 4.5053 0.0000 0.0000 63.1359 31.8364 176.2204 148 V 4.0167 8.5850 124.8760 63.2441 32.0553 175.0202 149 I 4.5307 9.0218 127.1101 62.5553 39.8640 175.4205 150 L 5.0905 7.6346 121.6090 53.8770 45.2966 174.3588 151 Q 5.2025 8.7283 121.9485 54.3893 34.0098 173.9400 152 A 4.8492 8.6496 121.2644 50.8887 22.7895 175.5539 153 K 4.6942 8.7444 122.5057 55.3730 33.7537 176.4507 154 V 4.2371 8.1430 124.8657 60.2665 32.7839 173.8087 155 P 3.8961 0.0000 0.0000 63.0354 31.6198 176.1662 156 V 3.9225 7.5751 122.1378 61.2982 33.2862 174.2841 157 F 5.0342 8.6216 121.8728 55.5487 43.2806 176.1744 158 A 3.9165 8.9538 124.3778 55.6744 18.6982 179.3307 159 G 4.0042 7.8110 104.5038 44.5606 0.0000 172.7343 160 D 5.5940 7.8912 117.1961 50.9599 45.3654 176.1613 161 S 4.8323 8.3758 116.7539 56.0642 67.0684 174.9598 162 E 3.9429 8.5576 119.8426 59.7187 29.0892 178.8560 163 D 4.3246 7.6817 120.3554 56.0112 39.4620 178.3643 164 D 4.3335 8.0387 120.3858 57.2485 40.8199 178.6651 165 I 3.6294 7.9375 120.3654 64.7503 37.1661 178.6116 166 T 3.8292 8.1424 116.4022 66.5627 68.2821 176.4779 167 A 3.9656 8.1108 122.6333 55.2678 18.4144 179.6313 168 R 3.8705 8.0397 117.1617 59.4094 30.1067 178.8684 169 V 3.5427 8.1546 118.3872 66.2582 31.6308 177.9849 170 Q 4.3260 8.3881 119.3912 58.7851 28.5797 179.1650 171 T 3.8642 8.3329 117.1444 66.6151 68.4620 176.5279 172 Q 4.0398 8.2174 121.5490 58.8421 28.9269 177.7045 173 E 3.9308 8.5700 120.3145 59.9022 29.3238 179.0351 174 H 4.4023 8.1562 114.2061 57.9041 29.1029 177.1651 175 A 4.3107 7.4689 122.4702 54.4106 18.9337 179.4638 176 I 3.7389 7.7931 111.6101 64.0106 37.6944 177.6810 177 Y 4.3337 8.2216 121.7076 60.1622 38.6699 176.3067 178 P 4.2290 0.0000 0.0000 65.3154 31.3056 178.4263 179 L 3.5830 7.2294 117.8591 57.8891 41.9338 179.0369 180 V 3.0188 7.4963 118.3565 66.0921 31.4271 178.0875 181 I 3.7180 7.7823 119.6178 64.2396 36.7802 178.6436 182 S 4.1689 8.0024 115.3773 61.1834 62.9484 176.6291 183 W 4.3835 8.2227 122.6861 59.3477 28.7343 178.1861 184 F 4.0209 8.8447 120.8337 61.4219 38.6627 177.1417 185 A 4.1690 8.1889 119.0635 54.9646 18.1825 178.3483 186 D 4.7270 8.1907 115.1985 53.9173 40.8917 176.6920 187 G 3.7951 7.8264 107.0906 46.8852 0.0000 174.9135 188 R 4.5388 8.0372 117.6300 55.3986 32.1013 175.4863 189 L 5.4322 7.8953 120.9641 53.3064 44.5774 175.4461 190 K 5.0531 9.5462 124.4827 55.0657 37.1775 174.6466 191 M 5.2283 8.1581 121.1138 54.2090 34.6355 174.5560 192 H 4.6579 9.5113 118.7757 55.8000 31.6489 173.1928 193 E 4.0717 8.9916 118.5743 59.0011 26.5878 173.6488 194 N 4.1962 8.5239 110.7689 54.3322 37.9875 173.1536 195 A 4.7361 7.8745 116.4620 49.9564 22.7576 175.7339 196 A 5.1310 8.5221 123.2311 51.4584 20.5496 176.4142 197 W 5.0967 9.6204 121.5604 54.6538 33.0135 174.1100 198 L 5.0716 9.1223 127.0734 53.6397 44.1780 176.0819 199 D 4.4754 10.0440 127.6466 55.4259 39.0007 175.1667 200 G 4.1697 8.6505 106.3116 45.6084 0.0000 174.1746 201 Q 4.4588 8.0827 119.9790 54.5375 29.9465 174.8461 202 R 3.1135 7.8379 123.0241 55.6424 30.5682 175.8665 203 L 4.3656 8.3650 127.5089 53.4044 42.6469 175.2171 204 P 4.3629 0.0000 0.0000 62.3228 31.8758 175.2912 205 P 4.1985 0.0000 0.0000 65.3242 31.3241 177.3333 206 Q 4.5383 8.2811 114.8437 55.3552 29.7114 176.3890 207 G 3.9879 8.2357 104.2046 44.9014 0.0000 172.5780 208 Y 4.3176 8.3619 123.2219 57.4083 39.9001 176.0576 209 A 3.7594 8.1449 128.2533 52.6665 18.6361 177.1448 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 8.16 4.53 0.00 2.15 2.46 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 2 N 9.01 5.00 0.00 2.84 2.84 0.00 0.00 7.20 6.60 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 3 I 9.11 4.87 1.89 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 1.09 0.83 0.79 0.00 0.00 4 V 8.12 4.66 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.98 0.00 0.00 5 V 8.41 4.69 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 0.97 0.00 0.00 0.81 0.00 0.00 6 L 8.89 5.23 0.00 1.21 0.52 0.66 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 7 I 9.04 5.41 1.96 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 1.44 1.26 1.00 0.00 0.00 8 S 8.97 4.97 0.00 3.92 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 9 G 7.45 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 10 N 9.28 4.31 0.00 2.76 2.94 0.00 0.00 7.04 7.98 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 11 G 8.40 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 0.00 0.00 0.00 12 S 8.25 4.21 0.00 4.16 4.38 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 13 N 8.20 4.47 0.00 2.88 3.09 0.00 0.00 6.79 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 14 L 7.81 3.88 0.00 1.74 1.84 0.85 0.68 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 15 Q 8.15 3.89 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 16 A 7.90 3.91 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 17 I 7.46 3.59 1.94 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.77 0.00 0.00 18 I 7.94 3.64 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.87 0.00 0.00 19 D 8.38 4.30 0.00 2.64 2.69 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 0.00 20 A 8.15 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 21 C 8.19 4.16 0.00 3.12 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 22 K 8.00 4.05 0.00 1.88 1.86 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.63 7.81 23 T 7.88 4.32 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 24 N 7.63 4.81 0.00 2.77 2.88 0.00 0.00 7.11 6.56 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 25 K 7.62 4.16 0.00 1.76 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.47 1.49 7.81 26 I 7.52 4.35 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.49 0.91 0.00 0.00 27 K 8.28 4.24 0.00 1.73 1.76 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.39 7.81 28 G 7.10 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 29 T 8.50 4.70 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 1.20 0.00 0.00 30 V 8.51 4.18 2.01 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 0.68 0.00 0.00 0.86 0.00 0.00 31 R 8.91 4.36 0.00 1.72 2.01 0.00 3.50 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 32 A 7.37 4.45 0.35 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 33 V 8.48 4.79 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 0.92 0.00 0.00 0.83 0.00 0.00 34 F 9.26 5.20 0.00 2.92 2.89 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 35 S 9.35 5.89 0.00 3.93 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 36 N 9.16 6.06 0.00 2.89 3.15 0.00 0.00 6.18 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 37 K 8.27 4.57 0.00 1.92 1.92 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.50 7.81 38 A 8.85 4.10 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 39 D 8.00 4.62 0.00 2.83 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 40 A 7.79 4.04 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 F 9.12 4.36 0.00 3.14 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 42 G 8.31 3.61 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 0.00 0.00 0.00 43 L 7.88 3.94 0.00 1.71 1.65 0.97 0.78 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 44 E 7.87 3.76 0.00 1.86 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 2.29 2.06 0.00 45 R 7.27 3.66 0.00 1.88 1.84 0.00 3.20 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.33 0.00 46 A 7.80 3.85 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 47 R 7.96 3.75 0.00 1.95 2.00 0.00 3.06 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 48 Q 7.82 3.99 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 49 A 7.54 4.41 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 50 G 7.94 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 0.00 0.00 0.00 51 I 7.57 4.47 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.78 0.83 0.00 0.00 52 A 8.52 3.96 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 53 T 8.22 4.89 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 1.09 0.00 0.00 54 H 8.35 4.77 0.00 2.07 3.09 0.00 5.56 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.65 5.14 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 1.29 0.00 0.00 56 L 9.11 4.86 0.00 1.58 1.39 0.52 0.86 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 57 I 8.53 4.88 1.99 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 1.39 1.84 1.00 0.00 0.00 58 A 9.16 4.37 1.30 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 0.00 129 D 8.31 4.41 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.92 4.54 0.00 2.02 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 0.00 2.04 2.17 0.00 131 E 8.43 3.59 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 2.28 2.34 0.00 132 H 7.20 4.70 0.00 3.30 3.09 0.00 5.93 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 0.00 133 G 7.72 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 0.00 134 T 7.49 5.05 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 0.00 135 S 9.12 5.13 0.00 3.86 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 0.00 136 V 8.30 4.64 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 0.94 0.00 0.00 0.58 0.00 0.00 137 H 8.89 5.37 0.00 3.47 3.30 0.00 5.51 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.90 4.55 0.00 3.05 3.02 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 0.00 139 V 8.79 4.17 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 0.87 0.00 0.00 0.96 0.00 0.00 140 T 8.42 4.87 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 1.33 0.00 0.00 141 D 8.56 4.34 0.00 2.75 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 0.00 142 E 8.13 4.28 0.00 2.11 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 0.00 2.42 2.38 0.00 143 L 8.42 4.11 0.00 1.62 1.61 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 144 D 9.14 4.48 0.00 2.82 2.69 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 0.00 145 G 8.02 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 0.00 146 G 8.40 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.51 0.00 2.32 2.51 0.00 3.98 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 2.39 2.12 0.00 148 V 8.58 4.02 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 0.83 0.00 0.00 0.94 0.00 0.00 149 I 9.02 4.53 1.88 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.66 1.16 0.00 0.00 150 L 7.63 5.09 0.00 1.83 1.44 1.20 0.45 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 0.00 151 Q 8.73 5.20 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 152 A 8.65 4.85 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 0.00 153 K 8.74 4.69 0.00 1.62 1.73 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.48 7.81 154 V 8.14 4.24 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 0.73 0.00 0.00 0.92 0.00 0.00 155 P 0.00 3.90 0.00 1.92 1.70 0.00 3.70 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 2.05 2.03 0.00 156 V 7.58 3.92 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 0.70 0.00 0.00 0.77 0.00 0.00 157 F 8.62 5.03 0.00 3.34 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.95 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 0.00 159 G 7.81 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 0.00 0.00 0.00 160 D 7.89 5.59 0.00 2.75 2.55 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 0.00 0.00 0.00 0.00 161 S 8.38 4.83 0.00 4.08 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 0.00 162 E 8.56 3.94 0.00 2.26 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 0.00 2.36 2.43 0.00 163 D 7.68 4.32 0.00 3.07 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 0.00 164 D 8.04 4.33 0.00 3.05 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 0.00 165 I 7.94 3.63 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.86 0.75 0.00 0.00 166 T 8.14 3.83 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 167 A 8.11 3.97 1.41 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 0.00 0.00 0.00 168 R 8.04 3.87 0.00 2.11 2.07 0.00 3.25 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 169 V 8.15 3.54 2.22 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 0.99 0.00 0.00 1.00 0.00 0.00 170 Q 8.39 4.33 0.00 2.35 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 171 T 8.33 3.86 4.39 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 1.23 0.00 0.00 172 Q 8.22 4.04 0.00 2.28 2.07 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 2.35 2.44 0.00 173 E 8.57 3.93 0.00 2.12 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 0.00 2.26 2.44 0.00 174 H 8.16 4.40 0.00 3.29 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 7.47 4.31 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 0.00 176 I 7.79 3.74 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.04 0.92 0.00 0.00 177 Y 8.22 4.33 0.00 3.05 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 0.00 178 P 0.00 4.23 0.00 2.14 2.03 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 179 L 7.23 3.58 0.00 1.75 1.40 0.76 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 180 V 7.50 3.02 2.17 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 1.03 0.00 0.00 0.71 0.00 0.00 181 I 7.78 3.72 1.73 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.35 0.83 0.00 0.00 182 S 8.00 4.17 0.00 4.16 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 0.00 183 W 8.22 4.38 0.00 3.57 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 0.00 184 F 8.84 4.02 0.00 3.23 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 0.00 185 A 8.19 4.17 1.48 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 0.00 186 D 8.19 4.73 0.00 2.74 2.73 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 0.00 187 G 7.83 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 0.00 0.00 0.00 188 R 8.04 4.54 0.00 1.89 2.01 0.00 3.05 0.00 0.00 3.10 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 189 L 7.90 5.43 0.00 1.86 1.81 1.29 0.80 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 0.00 190 K 9.55 5.05 0.00 1.81 1.68 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.40 7.81 191 M 8.16 5.23 0.00 1.31 0.57 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 192 H 9.51 4.66 0.00 3.14 3.14 0.00 5.46 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 E 8.99 4.07 0.00 2.36 2.24 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 2.31 2.40 0.00 194 N 8.52 4.20 0.00 2.80 2.87 0.00 0.00 6.93 7.96 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 0.00 195 A 7.87 4.74 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 0.00 196 A 8.52 5.13 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 0.00 197 W 9.62 5.10 0.00 3.40 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 0.00 198 L 9.12 5.07 0.00 1.63 1.43 0.11 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 199 D 10.04 4.48 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 G 8.65 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 0.00 0.00 0.00 201 Q 8.08 4.46 0.00 2.34 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 202 R 7.84 3.11 0.00 0.67 1.31 0.00 2.96 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.53 0.00 203 L 8.37 4.37 0.00 1.60 1.64 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 204 P 0.00 4.36 0.00 2.07 2.14 0.00 3.73 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 2.29 1.95 0.00 205 P 0.00 4.20 0.00 2.05 2.19 0.00 3.61 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 2.02 2.12 0.00 206 Q 8.28 4.54 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 207 G 8.24 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 0.00 208 Y 8.36 4.32 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 0.00 209 A 8.14 3.76 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 * Residues marked with a * may have inaccurate shift predictions.