NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 M 4.6165 8.3044 120.3816 54.9695 33.6858 176.2470 22 K 4.5298 7.5097 122.2690 54.5903 34.1414 172.0544 23 F 4.8009 9.8060 124.3455 57.6303 39.8164 174.7579 24 T 4.5028 8.8592 121.4116 62.5290 69.6661 174.8682 25 E 4.1845 8.8343 122.9467 56.4705 30.0584 177.3934 26 I 4.0273 8.4341 124.0514 61.9481 38.1528 175.0156 27 F 4.2571 8.8719 128.8109 56.0623 40.7609 173.7229 28 P 4.4603 0.0000 0.0000 60.5562 29.2500 176.0306 29 V 2.5750 8.0004 121.8679 66.5254 30.9559 177.2755 30 E 3.8797 7.9335 119.5381 57.9199 29.9914 176.8256 31 D 4.4786 8.1676 119.8816 52.9619 40.2032 176.4707 32 A 4.3463 8.4628 129.9070 54.0401 18.5820 177.8615 33 N 4.4825 8.3032 112.8587 54.8591 38.9722 174.5962 34 Y 4.4081 7.8352 119.6996 55.2227 38.4853 173.3456 35 P 4.7972 0.0000 0.0000 62.4422 32.7620 176.8238 36 Y 3.8003 8.5476 120.5558 60.6833 38.7568 178.2324 37 S 3.9859 8.8396 115.2324 60.8585 62.8954 176.2793 38 A 3.9641 7.5972 124.1352 54.5825 18.1794 179.3586 39 F 4.2687 7.9554 118.7388 61.5451 39.4760 177.2721 40 I 2.9161 7.0201 119.1166 63.9906 36.7933 178.2878 41 A 3.8358 7.5080 121.0249 55.0896 18.3053 179.5911 42 S 3.9784 8.1397 111.8613 61.6845 62.5543 176.6776 43 V 3.5911 7.6894 120.8209 65.6411 31.1380 178.2869 44 R 3.8213 7.9975 118.4791 59.0354 29.8969 178.6092 45 K 3.7837 8.0199 118.2353 59.8417 31.8863 178.6212 46 D 4.3786 7.6641 117.0439 57.5824 41.0844 178.9894 47 V 3.7592 7.7730 118.1726 66.3974 31.5182 177.8860 48 I 3.4116 8.2655 119.6474 64.6494 36.6765 178.3088 49 K 3.9420 7.6674 117.8037 58.7569 31.7514 177.2970 50 H 4.9175 8.5457 115.4610 55.5421 29.0589 173.5527 51 C 5.1350 7.9722 117.6156 58.1933 30.2707 174.1964 52 T 4.2869 8.4563 113.1469 61.3916 70.6589 173.5001 53 D 4.7013 8.5485 122.8114 53.2481 41.5312 175.0654 54 H 4.6118 8.6240 123.3291 54.1618 30.1039 175.8472 55 K 4.1220 8.3160 122.6635 57.8137 33.3391 178.1842 56 G 3.9800 8.9629 109.4175 45.3276 0.0000 173.1338 57 I 4.2341 6.8271 119.0840 59.2977 38.1778 175.5049 58 F 4.6048 8.8154 125.1560 60.7019 39.0136 176.4229 59 Q 4.3455 7.8922 117.4689 54.6433 29.4834 174.0504 60 P 4.4582 0.0000 0.0000 62.8937 32.9780 175.2090 61 V 4.4967 8.2148 122.9332 61.2085 33.2075 175.6237 62 L 4.6469 8.4571 127.9680 53.7791 42.6921 175.2993 63 P 4.4008 0.0000 0.0000 61.6536 31.8975 174.6779 64 P 4.4021 0.0000 0.0000 62.5565 31.7165 175.8462 65 E 4.2589 8.4501 121.7794 55.7411 30.1778 175.8579 66 K 4.7552 8.2114 123.5438 54.1428 36.1980 176.5602 67 K 4.1122 8.6834 119.7506 58.9590 32.1269 177.7777 68 V 4.3749 7.2208 117.6949 58.8552 31.4136 171.9983 69 P 4.1480 0.0000 0.0000 62.4433 31.7205 176.6518 70 E 4.6752 8.5930 117.5913 56.0482 31.6791 175.7556 71 L 4.8458 7.5778 119.2482 52.5920 45.0774 175.6299 72 W 5.0272 8.7980 122.1555 54.6076 33.9943 174.3436 73 L 4.6983 8.4057 121.9738 53.9579 44.3925 174.9076 74 Y 5.4703 8.4541 125.3574 56.0944 39.2000 174.8002 75 T 4.9498 8.5333 115.3609 59.7783 71.6171 172.6676 76 E 5.0288 8.9709 126.9737 54.6997 32.0835 174.0769 77 L 4.8971 8.6405 127.1873 53.0022 44.0599 175.2267 78 K 4.7199 9.4214 127.2256 54.7987 34.3442 174.7044 79 T 4.7237 8.4170 118.0879 59.5498 70.9546 175.6105 80 R 3.8455 8.2068 122.4110 59.8764 29.8525 177.7329 81 T 4.0877 7.2295 114.5306 64.7539 69.4518 176.3501 82 S 4.6997 7.0402 116.3151 58.5613 65.5380 172.4757 83 S 5.0337 8.0011 111.6687 58.2587 65.1768 174.5066 84 I 4.9178 8.1908 112.8311 59.7377 41.8472 173.9901 85 T 5.0672 8.5187 118.7501 61.7558 71.3521 173.7843 86 L 4.7885 9.3474 127.4466 54.4479 43.5943 176.2246 87 A 4.7794 9.1552 124.6051 50.5605 21.2549 175.3587 88 I 4.8807 8.3113 122.9826 59.9214 40.2735 175.7814 89 R 3.0020 8.1516 124.6663 55.9787 29.6602 176.7583 90 M 3.8246 8.7514 124.7963 58.5075 32.4804 179.0108 91 D 4.8568 7.5166 116.7814 56.9970 40.2227 178.8876 92 N 5.2648 7.8666 115.4087 51.7748 37.9075 173.8291 93 L 3.5942 9.4671 115.5527 56.9624 39.6143 174.1449 94 Y 4.6545 7.6563 118.1554 55.2453 41.8730 174.3120 95 L 4.3760 8.1672 128.9787 55.8111 42.3577 176.5588 96 V 4.1318 9.5626 128.2685 65.7732 32.8286 175.0919 97 G 4.0997 7.8885 106.0029 47.1487 0.0000 171.7290 98 F 5.5721 8.6778 114.2525 56.1466 41.9322 173.1067 99 R 4.2430 8.3594 121.5770 54.3938 31.9525 176.1868 100 T 4.5551 8.6597 117.0266 60.3898 69.8775 173.6777 101 P 4.3847 0.0000 0.0000 64.1564 31.3626 177.5120 102 G 3.7898 8.0052 106.4155 45.2395 0.0000 174.4938 103 G 3.7285 8.0338 107.5027 45.1340 0.0000 173.2491 104 V 4.0142 7.4223 119.6575 60.9698 33.2736 174.6662 105 W 4.9606 8.2970 127.0615 54.7613 31.6226 174.7914 106 W 4.8880 8.7282 124.3693 54.6801 31.4427 174.0424 107 E 5.0378 8.6895 125.8732 53.8539 31.8390 175.0271 108 F 4.4800 9.1212 126.0528 58.7925 39.8375 174.9099 109 G 3.8701 7.8413 109.1314 43.9818 0.0000 171.8831 110 K 4.5016 7.2289 117.4622 54.6346 35.8496 174.9431 111 D 4.1354 8.0251 118.8387 55.1508 41.0491 175.8494 112 G 4.0212 8.8604 113.6231 46.4063 0.0000 174.2074 113 D 4.4960 6.8907 118.0518 53.9526 41.4587 175.5880 114 T 4.6484 8.2662 117.4926 62.4712 69.4721 175.0455 115 H 4.4462 8.9588 124.1983 55.9861 29.3111 175.2543 116 L 4.5833 9.0709 122.8451 55.3461 43.0123 177.2263 117 L 3.8079 8.1435 118.2478 53.5187 42.5931 176.6537 118 G 3.6698 7.3941 109.9846 45.0154 0.0000 172.3365 119 D 4.1253 8.3831 114.3181 57.2935 37.9368 175.2059 120 N 3.9034 7.7465 112.3402 53.7469 36.1351 172.7588 121 P 4.3431 0.0000 0.0000 62.2206 33.0864 176.6259 122 R 4.3514 8.0056 120.2015 53.8560 32.0832 176.0125 123 W 4.8716 8.6816 123.5794 57.3081 29.3245 176.2094 124 L 4.3065 8.7143 122.8257 55.5741 41.7160 178.3697 125 G 4.1213 10.5143 106.7918 44.9028 0.0000 172.9905 126 F 4.9781 7.1134 113.0833 55.2376 40.4447 174.1921 127 G 4.1240 8.8871 112.0213 45.8470 0.0000 173.2348 128 G 2.5511 8.0322 106.2239 44.6310 0.0000 174.5987 129 R 4.4233 7.2156 117.5689 54.5556 33.2412 176.5468 130 Y 4.0288 8.2141 117.3561 61.0895 37.8150 178.3416 131 Q 4.6032 8.1400 121.6152 58.9337 28.8881 178.2015 132 D 4.4281 7.9693 118.0230 56.9374 41.1490 178.0636 133 L 4.2484 7.5739 118.9255 56.0568 42.1334 177.6265 134 I 4.6104 7.8716 109.9266 59.4108 40.1956 176.8690 135 G 4.3546 7.9843 114.1840 47.3110 0.0000 175.0181 136 N 5.0491 8.9957 117.6612 52.0264 37.5137 174.7015 137 K 4.2077 7.9965 117.9666 56.6459 33.1550 177.3314 138 G 3.9700 8.1276 109.4389 44.1416 0.0000 175.0054 139 L 4.0198 8.1420 119.8331 56.8110 42.1763 179.3496 140 E 4.1514 8.0647 116.5767 58.6215 29.7660 177.9689 141 T 4.2250 7.6279 108.6270 61.5706 68.8684 174.5219 142 V 4.1584 7.3788 122.7347 61.4842 31.6625 175.4073 143 T 4.0920 8.3201 124.8196 63.6665 69.1563 173.9899 144 M 4.7705 9.3382 124.5700 53.2532 36.0538 173.8497 145 G 4.4637 8.6877 104.5597 43.0230 0.0000 174.6999 146 R 3.2526 7.0499 120.0815 59.0602 29.6851 178.4511 147 A 3.8581 7.5383 119.7244 55.3066 18.4757 179.2808 148 E 3.8857 7.9886 116.5827 59.6535 29.4402 179.2253 149 M 4.0405 8.4733 118.7032 58.8233 32.3497 178.1829 150 T 3.7754 7.8506 115.8273 66.9904 68.6995 176.6600 151 R 3.8779 7.9565 119.4112 59.1915 29.9938 179.1084 152 A 3.9161 7.8558 120.5989 55.0888 18.2782 179.7906 153 V 3.3867 8.0595 117.0542 66.0562 31.4750 177.5958 154 N 4.3427 7.9282 115.3028 56.7090 38.8124 176.8521 155 D 4.4477 8.0165 119.5827 57.5179 41.1599 178.8223 156 L 3.8829 7.9742 119.2430 57.7607 41.3023 179.5085 157 A 4.2279 8.7089 120.8239 54.6913 18.2827 179.4082 158 K 4.2211 7.9704 116.7645 57.7623 32.3699 177.4646 159 K 3.8088 6.8170 118.2205 56.8921 32.0061 175.7173 160 K 4.6817 8.4012 124.3602 56.5938 34.0497 175.2638 161 K 4.9148 7.6017 119.8564 56.9940 35.0933 173.8796 *162 M 3.6935 9.0545 117.8363 54.1889 34.2818 174.5354 *191 Q 4.2813 8.1996 113.2241 56.9727 30.3312 170.6098 192 A 5.0767 7.8292 124.8250 51.8824 21.0137 176.8262 193 D 4.6359 8.5593 114.9650 54.5597 39.7758 177.6164 194 T 4.2581 7.6168 116.2981 64.5592 68.7515 176.4784 195 K 3.8734 7.6025 121.7070 59.1586 32.3371 178.7468 196 S 4.0703 7.9169 112.8603 61.6066 62.5490 176.3651 197 K 4.1009 7.4637 117.7115 59.3273 31.7052 179.4141 198 L 4.1775 7.7640 119.2897 57.4405 41.3237 179.5685 199 V 3.8474 8.0544 118.7256 64.0539 31.4756 178.6804 200 K 4.0745 7.7244 118.6131 59.4063 31.8999 179.2158 201 L 4.1224 7.6235 118.3070 57.7064 41.6418 179.5824 202 V 3.6318 7.9395 118.3487 65.9874 31.4603 178.3262 203 V 3.7818 7.6954 117.6548 66.2747 31.2634 178.0293 204 M 4.3652 8.0770 117.1189 57.4213 31.9929 177.5316 205 V 4.2862 8.2271 117.3228 65.1709 32.8962 177.2470 206 C 4.0762 7.9536 115.7107 63.1282 28.1674 176.0143 207 E 4.2536 8.5174 119.9169 59.2201 28.8565 179.8455 208 G 3.7468 7.6152 104.0614 47.8554 0.0000 175.4991 209 L 4.0273 7.8580 120.6070 57.3304 41.8900 179.6761 210 R 3.7763 7.7861 117.8875 57.6550 30.1063 176.4029 211 F 5.2056 8.4132 118.1826 55.9859 40.6733 175.9584 212 N 5.2728 8.8186 123.9909 53.1018 37.5008 176.9094 213 T 4.0695 7.8589 116.8095 65.0642 67.6842 176.5605 214 V 3.7014 7.8356 120.0873 65.6624 31.7596 178.1238 215 S 4.4540 8.0006 114.2322 61.5834 62.9941 176.6256 216 R 3.9463 7.7937 122.1946 59.1530 29.3483 179.0736 217 T 3.8665 7.8278 115.2251 66.7743 68.2735 176.9125 218 V 3.5657 7.9162 118.9426 65.9196 31.4896 177.0559 219 D 4.5176 8.7380 118.0195 57.3744 40.8123 177.9202 220 A 4.2410 7.9529 120.1423 54.7489 18.1328 179.7313 221 G 4.1224 7.7412 104.3265 45.6217 0.0000 176.3499 222 F 4.2406 8.1983 123.7885 61.0302 39.5135 176.5985 223 N 4.5258 8.1468 114.7534 53.7292 39.3950 175.6664 224 S 4.1243 7.3472 114.6219 58.6739 63.1465 175.3506 225 Q 4.0416 8.5791 123.4814 58.1767 28.9512 175.9427 226 H 4.6292 7.7270 111.8899 55.7731 30.0407 175.0841 227 G 3.8402 9.4337 105.9185 44.8179 0.0000 172.7992 228 V 4.4633 7.7074 115.3215 60.8869 34.2694 172.8158 229 T 4.8769 8.0499 111.3464 59.8473 71.9355 173.2066 230 L 4.3921 8.1358 121.9939 54.1098 43.0482 177.4852 231 T 4.2804 7.9878 110.8138 61.0666 71.3266 175.6347 232 V 3.5912 8.3985 121.5608 66.9143 31.2865 178.6530 233 T 3.8764 7.7726 114.6013 66.6543 68.4410 176.5518 234 Q 4.1851 8.0340 120.0296 58.8783 28.7164 179.1705 235 G 3.4882 8.3998 107.0073 47.8801 0.0000 175.9070 236 K 4.0900 7.8617 119.3807 58.3805 32.2270 179.4961 237 Q 4.1204 7.8288 118.9997 59.0273 28.5856 178.2568 238 V 2.5259 7.5323 118.0814 65.9959 31.4640 177.4309 239 Q 4.3933 7.8349 114.7385 56.7591 28.8388 176.5387 240 K 4.7474 8.5879 121.0497 55.4949 33.2870 178.3004 241 W 4.6120 8.9211 130.5297 60.9427 30.5387 176.4378 242 D 3.9571 8.3151 118.1719 57.5412 40.2658 178.8602 243 R 3.8050 7.9105 118.3726 59.4461 30.2626 178.4324 244 I 3.8505 8.0603 119.8129 64.3270 36.8029 178.5771 245 S 4.1153 8.0492 116.4066 61.0826 62.6108 176.9541 246 K 3.8355 8.0093 121.3111 59.4221 31.9161 179.0907 247 A 3.5659 8.1961 121.1167 54.9036 18.1128 179.6904 248 A 4.1664 7.8330 118.8826 55.5593 18.4435 179.6151 249 F 4.1158 8.1566 113.0155 58.9996 39.1472 176.6842 250 E 4.2455 7.7000 119.3627 58.3748 29.6443 177.5671 251 W 4.7057 8.4097 117.9859 58.5513 28.7749 178.1803 252 A 4.1716 7.7156 120.8148 55.0249 17.8730 179.0681 253 D 4.6163 8.0405 116.1840 56.2940 42.4440 177.6802 254 H 4.8028 7.8062 120.8526 52.8940 28.2634 173.1298 255 P 4.6248 0.0000 0.0000 63.9942 31.3993 177.8842 256 T 4.3009 7.7485 114.0853 63.7967 69.6581 174.4619 257 A 4.2222 7.9426 124.7765 52.6092 18.7189 178.1735 258 V 4.4755 7.8553 118.1716 60.4581 32.0030 173.3002 259 I 4.1921 8.0616 128.2126 59.6235 38.5619 174.9386 260 P 4.2661 0.0000 0.0000 66.5796 30.5367 178.2499 261 D 4.4271 7.9492 116.4798 56.7503 41.0140 178.1223 262 M 4.3168 8.3548 120.4139 58.1551 31.7096 178.6015 263 Q 4.1669 8.0615 117.0477 58.8593 28.6944 178.0980 264 K 4.1458 7.8951 119.0489 58.2956 32.1517 178.2210 265 L 4.4685 7.6338 118.0840 54.9639 42.2509 177.1497 266 G 4.1603 7.5230 106.4349 45.5613 0.0000 173.8702 267 I 4.3716 7.5795 121.8697 58.8513 37.1877 176.2120 268 K 4.1725 8.5159 124.3064 58.7923 33.2607 177.8245 269 D 4.5038 7.3949 119.1434 49.4965 43.5907 176.5354 270 K 2.4800 6.3337 118.9402 59.3390 31.8742 178.8783 271 N 4.2420 7.4573 117.4447 56.3036 38.6358 176.7444 272 E 3.8845 8.1092 119.6855 59.4859 29.6138 179.1857 273 A 4.0699 7.8803 120.3996 55.4302 18.1802 179.6190 274 A 4.2204 7.8037 118.0254 55.1573 18.5110 179.5679 275 R 4.0255 7.8086 116.7720 59.0233 30.3756 178.3839 276 I 4.2506 7.8176 119.8116 62.1495 37.6049 175.7985 277 V 4.3367 7.8680 118.6058 60.1535 32.6491 175.3570 278 A 4.3976 9.0182 127.2010 53.2627 19.8224 177.3460 279 L 4.7925 7.8195 114.3860 53.1098 44.4022 176.7222 280 V 4.4844 8.1659 117.5512 58.6003 33.7756 175.7145 281 K 4.2030 7.4696 126.0084 56.0999 32.7257 176.0253 282 N 4.4353 8.5490 124.5856 53.3128 39.8006 174.6305 283 Q 3.8139 7.3605 123.8945 56.0008 29.2204 175.0061 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 21 M 8.30 4.62 0.00 2.20 2.50 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.71 0.00 22 K 7.51 4.53 0.00 1.95 1.73 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.65 7.81 23 F 9.81 4.80 0.00 3.05 3.15 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 24 T 8.86 4.50 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 1.32 0.00 0.00 25 E 8.83 4.18 0.00 2.13 2.12 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 2.47 2.46 0.00 26 I 8.43 4.03 1.86 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 1.26 0.41 0.85 0.00 0.00 27 F 8.87 4.26 0.00 1.79 2.41 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 28 P 0.00 4.46 0.00 1.93 1.84 0.00 2.43 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 29 V 8.00 2.57 1.86 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 0.61 0.00 0.00 0.74 0.00 0.00 30 E 7.93 3.88 0.00 1.91 1.92 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 2.22 2.19 0.00 31 D 8.17 4.48 0.00 2.73 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 32 A 8.46 4.35 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 33 N 8.30 4.48 0.00 2.95 2.95 0.00 0.00 6.83 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.84 4.41 0.00 3.27 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 35 P 0.00 4.80 0.00 2.31 2.23 0.00 3.49 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 36 Y 8.55 3.80 0.00 1.56 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 37 S 8.84 3.99 0.00 4.01 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 38 A 7.60 3.96 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 39 F 7.96 4.27 0.00 2.78 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 40 I 7.02 2.92 1.43 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 -0.03 0.70 0.00 0.00 41 A 7.51 3.84 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 42 S 8.14 3.98 0.00 3.97 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 43 V 7.69 3.59 1.61 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 0.83 0.00 0.00 0.59 0.00 0.00 44 R 8.00 3.82 0.00 2.02 1.89 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 45 K 8.02 3.78 0.00 2.06 1.87 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 46 D 7.66 4.38 0.00 2.83 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 47 V 7.77 3.76 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 0.94 0.00 0.00 48 I 8.27 3.41 2.09 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 1.52 0.54 0.91 0.00 0.00 49 K 7.67 3.94 0.00 1.89 1.74 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.67 7.81 50 H 8.55 4.92 0.00 3.21 3.29 0.00 5.61 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 51 C 7.97 5.14 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 52 T 8.46 4.29 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 1.26 0.00 0.00 53 D 8.55 4.70 0.00 2.71 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 54 H 8.62 4.61 0.00 2.97 3.03 0.00 5.95 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.32 4.12 0.00 1.93 1.92 0.00 1.52 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.42 7.81 56 G 8.96 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 57 I 6.83 4.23 1.86 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.38 0.88 0.00 0.00 58 F 8.82 4.60 0.00 2.94 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.89 4.35 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.95 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 60 P 0.00 4.46 0.00 2.10 1.99 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 61 V 8.21 4.50 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 1.07 0.00 0.00 0.83 0.00 0.00 62 L 8.46 4.65 0.00 1.73 1.73 1.38 1.15 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 63 P 0.00 4.40 0.00 2.15 1.97 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.42 0.00 64 P 0.00 4.40 0.00 2.16 2.06 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 65 E 8.45 4.26 0.00 1.89 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 2.23 2.22 0.00 66 K 8.21 4.76 0.00 1.70 1.63 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.50 7.81 67 K 8.68 4.11 0.00 1.76 1.88 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.43 7.81 68 V 7.22 4.37 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 0.96 0.00 0.00 0.99 0.00 0.00 69 P 0.00 4.15 0.00 1.55 1.91 0.00 3.87 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.68 0.00 70 E 8.59 4.68 0.00 1.97 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 2.21 2.23 0.00 71 L 7.58 4.85 0.00 1.41 1.41 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 72 W 8.80 5.03 0.00 2.95 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.41 4.70 0.00 1.66 1.44 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.45 5.47 0.00 1.88 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.53 4.95 4.58 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 1.35 0.00 0.00 76 E 8.97 5.03 0.00 2.23 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 2.32 2.58 0.00 77 L 8.64 4.90 0.00 1.63 1.54 0.99 0.28 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 78 K 9.42 4.72 0.00 1.68 1.53 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.31 7.81 79 T 8.42 4.72 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 1.10 0.00 0.00 80 R 8.21 3.85 0.00 1.82 2.05 0.00 3.12 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 81 T 7.23 4.09 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 1.18 0.00 0.00 82 S 7.04 4.70 0.00 3.77 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 83 S 8.00 5.03 0.00 3.98 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.19 4.92 2.01 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.79 0.91 0.00 0.00 85 T 8.52 5.07 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 1.50 0.00 0.00 86 L 9.35 4.79 0.00 1.83 1.74 1.04 0.67 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 87 A 9.16 4.78 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 88 I 8.31 4.88 1.99 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 1.35 0.98 0.88 0.00 0.00 89 R 8.15 3.00 0.00 1.37 0.92 0.00 2.75 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 90 M 8.75 3.82 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 91 D 7.52 4.86 0.00 2.91 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 92 N 7.87 5.26 0.00 3.07 3.08 0.00 0.00 6.26 7.79 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 93 L 9.47 3.59 0.00 1.41 1.53 0.76 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.66 4.65 0.00 3.22 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 95 L 8.17 4.38 0.00 1.69 1.59 1.16 1.14 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 96 V 9.56 4.13 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 1.18 0.00 0.00 1.30 0.00 0.00 97 G 7.89 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 98 F 8.68 5.57 0.00 3.21 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 99 R 8.36 4.24 0.00 0.67 0.76 0.00 2.54 0.00 0.00 2.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.60 0.00 100 T 8.66 4.56 4.50 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 1.58 0.00 0.00 101 P 0.00 4.38 0.00 2.05 2.12 0.00 3.78 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 2.01 2.34 0.00 102 G 8.01 3.79 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 0.00 0.00 0.00 103 G 8.03 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.42 4.01 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 0.18 0.00 0.00 0.83 0.00 0.00 105 W 8.30 4.96 0.00 3.06 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 0.00 106 W 8.73 4.89 0.00 2.07 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 0.00 107 E 8.69 5.04 0.00 1.91 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 2.34 2.47 0.00 108 F 9.12 4.48 0.00 3.29 3.08 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 0.00 109 G 7.84 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 0.00 110 K 7.23 4.50 0.00 1.72 1.78 0.00 1.28 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.16 1.18 7.81 111 D 8.03 4.14 0.00 2.61 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 0.00 112 G 8.86 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 0.00 113 D 6.89 4.50 0.00 1.58 2.47 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 0.00 114 T 8.27 4.65 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 1.31 0.00 0.00 115 H 8.96 4.45 0.00 3.00 3.00 0.00 5.87 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 0.00 116 L 9.07 4.58 0.00 1.88 2.13 1.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.14 3.81 0.00 1.25 0.81 0.73 0.22 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 0.00 118 G 7.39 3.67 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 0.00 0.00 0.00 119 D 8.38 4.13 0.00 2.67 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 0.00 120 N 7.75 3.90 0.00 2.67 2.65 0.00 0.00 7.25 8.02 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 0.00 121 P 0.00 4.34 0.00 1.75 1.69 0.00 3.37 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.76 0.00 122 R 8.01 4.35 0.00 0.91 1.09 0.00 2.75 0.00 0.00 2.62 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.35 0.00 123 W 8.68 4.87 0.00 3.23 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 0.00 124 L 8.71 4.31 0.00 1.22 0.72 0.47 0.97 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 0.00 125 G 10.51 4.12 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 0.00 126 F 7.11 4.98 0.00 3.29 3.23 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 0.00 127 G 8.89 4.12 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 0.00 128 G 8.03 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 0.00 0.00 0.00 129 R 7.22 4.42 0.00 2.16 1.89 0.00 3.17 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 130 Y 8.21 4.03 0.00 3.06 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.14 4.60 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 132 D 7.97 4.43 0.00 2.83 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 0.00 133 L 7.57 4.25 0.00 1.58 1.86 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.87 4.61 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 1.59 0.96 0.97 0.00 0.00 135 G 7.98 4.35 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 0.00 136 N 9.00 5.05 0.00 2.79 2.88 0.00 0.00 5.94 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 0.00 137 K 8.00 4.21 0.00 1.90 1.77 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 138 G 8.13 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 0.00 139 L 8.14 4.02 0.00 1.56 1.58 0.16 0.26 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 0.00 140 E 8.06 4.15 0.00 2.15 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 0.00 2.33 2.21 0.00 141 T 7.63 4.22 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 1.19 0.00 0.00 142 V 7.38 4.16 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 0.85 0.00 0.00 0.97 0.00 0.00 143 T 8.32 4.09 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 144 M 9.34 4.77 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.47 0.00 145 G 8.69 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 R 7.05 3.25 0.00 0.67 1.39 0.00 2.97 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 147 A 7.54 3.86 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 0.00 148 E 7.99 3.89 0.00 2.18 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 2.34 2.39 0.00 149 M 8.47 4.04 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.64 0.00 150 T 7.85 3.78 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 1.21 0.00 0.00 151 R 7.96 3.88 0.00 1.83 1.95 0.00 3.09 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 152 A 7.86 3.92 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 0.00 153 V 8.06 3.39 2.12 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 1.02 0.00 0.00 0.94 0.00 0.00 154 N 7.93 4.34 0.00 2.69 2.87 0.00 0.00 7.20 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 0.00 155 D 8.02 4.45 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 0.00 156 L 7.97 3.88 0.00 1.63 1.13 0.51 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.71 4.23 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 0.00 158 K 7.97 4.22 0.00 1.93 1.89 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.66 7.81 159 K 6.82 3.81 0.00 1.66 1.65 0.00 0.98 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.34 1.05 7.81 160 K 8.40 4.68 0.00 1.85 1.91 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.61 7.81 161 K 7.60 4.91 0.00 1.82 1.79 0.00 1.86 0.00 0.00 1.84 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.59 7.81 *162 M 9.05 3.69 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.85 0.00 *191 Q 8.20 4.28 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 192 A 7.83 5.08 1.26 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 0.00 0.00 193 D 8.56 4.64 0.00 2.89 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 0.00 194 T 7.62 4.26 4.51 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 1.23 0.00 0.00 195 K 7.60 3.87 0.00 1.61 1.74 0.00 1.41 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 1.21 7.81 196 S 7.92 4.07 0.00 3.85 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 0.00 197 K 7.46 4.10 0.00 1.81 1.77 0.00 1.75 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.57 7.81 198 L 7.76 4.18 0.00 2.10 2.00 1.26 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 199 V 8.05 3.85 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 1.01 0.00 0.00 1.14 0.00 0.00 200 K 7.72 4.07 0.00 2.05 1.92 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.71 7.81 201 L 7.62 4.12 0.00 1.83 1.77 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 202 V 7.94 3.63 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 0.86 0.00 0.00 1.00 0.00 0.00 203 V 7.70 3.78 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 1.18 0.00 0.00 204 M 8.08 4.37 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.57 0.00 205 V 8.23 4.29 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 1.28 0.00 0.00 1.26 0.00 0.00 206 C 7.95 4.08 0.00 3.30 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 0.00 207 E 8.52 4.25 0.00 2.32 2.12 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 2.67 2.66 0.00 208 G 7.62 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 0.00 209 L 7.86 4.03 0.00 1.65 1.60 0.81 0.68 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 0.00 210 R 7.79 3.78 0.00 1.72 0.90 0.00 2.89 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 211 F 8.41 5.21 0.00 3.20 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 0.00 212 N 8.82 5.27 0.00 3.01 3.07 0.00 0.00 6.47 7.29 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 0.00 213 T 7.86 4.07 4.37 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 1.26 0.00 0.00 214 V 7.84 3.70 2.46 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 1.27 0.00 0.00 0.87 0.00 0.00 215 S 8.00 4.45 0.00 4.10 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 R 7.79 3.95 0.00 1.92 2.06 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 217 T 7.83 3.87 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 1.22 0.00 0.00 218 V 7.92 3.57 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 0.13 0.00 0.00 0.91 0.00 0.00 219 D 8.74 4.52 0.00 3.15 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 0.00 220 A 7.95 4.24 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 0.00 221 G 7.74 4.12 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 0.00 222 F 8.20 4.24 0.00 3.32 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 0.00 223 N 8.15 4.53 0.00 2.80 2.85 0.00 0.00 6.88 7.57 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 0.00 224 S 7.35 4.12 0.00 4.21 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 0.00 225 Q 8.58 4.04 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 226 H 7.73 4.63 0.00 3.25 3.31 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 G 9.43 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 0.00 228 V 7.71 4.46 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 0.76 0.00 0.00 0.98 0.00 0.00 229 T 8.05 4.88 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 1.28 0.00 0.00 230 L 8.14 4.39 0.00 1.60 1.58 0.82 0.85 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 0.00 231 T 7.99 4.28 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 232 V 8.40 3.59 2.06 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 1.03 0.00 0.00 0.91 0.00 0.00 233 T 7.77 3.88 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 1.21 0.00 0.00 234 Q 8.03 4.19 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 235 G 8.40 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 K 7.86 4.09 0.00 1.82 1.87 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.48 7.81 237 Q 7.83 4.12 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 238 V 7.53 2.53 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 0.71 0.00 0.00 0.19 0.00 0.00 239 Q 7.83 4.39 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.19 0.00 0.00 0.00 0.00 0.00 2.09 2.30 0.00 240 K 8.59 4.75 0.00 1.99 1.85 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.51 7.81 241 W 8.92 4.61 0.00 3.80 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 0.00 242 D 8.32 3.96 0.00 2.74 2.60 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 0.00 0.00 0.00 0.00 243 R 7.91 3.81 0.00 1.91 2.04 0.00 3.13 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 244 I 8.06 3.85 2.01 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.32 1.10 0.00 0.00 245 S 8.05 4.12 0.00 3.53 3.72 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 0.00 246 K 8.01 3.84 0.00 1.81 1.71 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.38 7.81 247 A 8.20 3.57 0.86 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 0.00 0.00 248 A 7.83 4.17 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 0.00 249 F 8.16 4.12 0.00 3.04 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 0.00 250 E 7.70 4.25 0.00 1.83 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 2.09 2.25 0.00 251 W 8.41 4.71 0.00 3.43 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 0.00 252 A 7.72 4.17 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 0.00 253 D 8.04 4.62 0.00 2.87 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 0.00 254 H 7.81 4.80 0.00 3.24 3.29 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 255 P 0.00 4.62 0.00 2.16 2.17 0.00 3.40 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 2.01 1.96 0.00 256 T 7.75 4.30 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 1.26 0.00 0.00 257 A 7.94 4.22 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 0.00 258 V 7.86 4.48 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 0.82 0.00 0.00 1.01 0.00 0.00 259 I 8.06 4.19 1.61 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.36 0.84 0.00 0.00 260 P 0.00 4.27 0.00 2.23 2.32 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 261 D 7.95 4.43 0.00 2.60 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 0.00 262 M 8.35 4.32 0.00 2.52 2.34 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 2.43 2.43 0.00 263 Q 8.06 4.17 0.00 2.31 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.57 2.65 0.00 264 K 7.90 4.15 0.00 1.91 1.92 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.48 7.81 265 L 7.63 4.47 0.00 1.83 1.77 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 266 G 7.52 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 0.00 0.00 0.00 267 I 7.58 4.37 2.20 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.81 1.14 0.00 0.00 268 K 8.52 4.17 0.00 1.89 1.95 0.00 1.50 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.40 7.81 269 D 7.39 4.50 0.00 2.52 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 0.00 270 K 6.33 2.48 0.00 1.44 1.25 0.00 1.01 0.00 0.00 0.98 0.00 0.00 2.19 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.97 0.98 7.81 271 N 7.46 4.24 0.00 2.92 2.84 0.00 0.00 7.16 7.66 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 0.00 272 E 8.11 3.88 0.00 2.05 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 2.49 2.46 0.00 273 A 7.88 4.07 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 0.00 274 A 7.80 4.22 1.57 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 0.00 275 R 7.81 4.03 0.00 2.04 2.24 0.00 3.27 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 276 I 7.82 4.25 2.04 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 1.68 0.68 1.25 0.00 0.00 277 V 7.87 4.34 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 0.81 0.00 0.00 0.97 0.00 0.00 278 A 9.02 4.40 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 0.00 279 L 7.82 4.79 0.00 1.52 1.69 0.88 0.90 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 0.00 280 V 8.17 4.48 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 1.01 0.00 0.00 1.06 0.00 0.00 281 K 7.47 4.20 0.00 0.79 0.84 0.00 1.51 0.00 0.00 1.27 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.13 1.28 7.81 282 N 8.55 4.44 0.00 2.69 2.59 0.00 0.00 6.76 7.08 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 0.00 283 Q 7.36 3.81 0.00 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.42 0.00 0.00 0.00 0.00 0.00 1.84 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.