NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1811 8.2649 123.5250 52.4911 20.5859 178.2830 2 T 3.7260 7.0011 110.8120 65.8969 69.1273 172.5992 3 G 4.1029 8.0897 108.4222 44.9567 0.0000 171.1852 4 P 4.3880 0.0000 0.0000 65.1557 31.5060 177.7462 5 R 4.1305 7.9015 117.0379 57.8827 30.5353 175.9186 6 Y 3.9048 7.2742 117.0079 57.9826 39.0373 175.1981 7 K 4.2317 7.5078 127.4620 54.5684 33.4506 175.2205 8 V 4.3311 8.0590 125.9819 60.1502 32.9896 173.5380 9 P 4.3389 0.0000 0.0000 62.6044 32.0829 176.0126 10 M 4.0645 8.3231 119.6637 55.4421 32.8296 177.3957 11 R 3.8838 8.9147 122.8935 60.0517 30.2053 178.6331 12 R 4.2225 8.0859 115.3369 57.7906 30.1152 178.2022 13 R 4.1991 8.5263 119.7012 58.5452 30.2141 178.1008 14 R 3.9307 7.9708 116.5484 59.6298 30.2655 178.5349 15 E 3.9763 8.0904 116.1403 56.9276 30.3500 176.6004 16 A 3.7272 7.9097 119.7595 53.7401 15.7861 177.7486 17 R 4.6031 8.2108 117.7120 55.9046 32.8132 176.8929 18 T 4.3496 7.7149 113.7765 61.1282 71.7703 174.1315 19 D 4.7068 8.3534 126.7145 52.8806 40.2888 175.6090 20 Y 3.9585 8.6168 123.7948 60.8937 38.1630 177.8720 21 H 4.1792 8.3035 116.6847 59.0592 28.9564 177.4792 22 Q 4.1291 9.2503 121.4623 58.6749 28.8130 177.9226 23 R 3.7429 7.9217 120.1651 59.2733 30.0497 177.7457 24 L 3.8837 8.0180 119.8861 58.6935 41.8532 179.0392 25 R 3.8932 7.4066 115.1858 59.4202 30.2391 178.6056 26 L 4.0954 7.8346 119.7803 58.2677 42.2454 179.0978 27 L 4.0675 8.4720 119.0696 57.5056 41.2466 179.5669 28 K 4.0415 8.2101 118.4234 59.1176 31.9383 178.8217 29 S 4.2318 7.5984 114.0103 59.7815 62.7384 175.3994 30 G 3.9719 8.2372 109.9124 45.0470 0.0000 173.6211 31 K 4.3498 6.9541 117.6238 54.8289 33.5210 174.2751 32 P 4.6802 0.0000 0.0000 62.4110 32.8563 176.2008 33 R 4.5868 8.7517 122.5894 55.7937 32.1389 175.8002 34 L 4.7462 8.3631 126.0714 53.3910 41.9627 173.6743 35 V 4.0254 9.0119 123.6046 62.6332 32.6172 174.0578 36 A 5.1183 8.3814 130.7035 50.4117 20.7095 175.5854 37 R 4.7296 9.0137 120.8591 54.6834 35.3146 173.8915 38 K 5.2098 8.2014 118.1687 55.6202 36.1988 175.4462 39 S 4.5840 8.6988 113.0892 57.3721 65.5536 174.7566 40 N 4.2487 8.9609 122.1385 56.1317 38.3416 176.3962 41 K 4.2573 7.9470 114.5519 56.9286 33.5734 175.5553 42 H 5.0526 7.5849 114.4859 53.6412 32.2944 172.4351 43 V 4.7621 8.1716 119.4792 61.4481 34.4806 174.0093 44 R 5.0184 8.7885 127.1789 54.3875 33.8607 173.6826 45 A 5.1806 8.9692 126.2474 50.2778 22.4396 174.9249 46 Q 4.8300 9.1655 121.1183 54.0125 33.1097 174.7531 47 L 4.7278 9.4494 125.4994 54.0739 42.5168 175.7630 48 V 4.7636 8.9995 125.1366 61.5175 33.1839 174.5403 49 T 4.9647 9.1438 120.8433 59.9968 71.3384 172.4856 50 L 3.9447 8.5437 127.5698 54.9933 42.8419 175.9391 51 G 4.3527 8.2170 111.6579 43.0319 0.0000 171.7400 52 P 4.4367 0.0000 0.0000 64.5349 31.3444 177.2102 53 N 4.8945 9.1458 112.3290 51.9470 40.3799 174.1102 54 G 4.2269 6.9795 105.3511 43.7452 0.0000 171.9707 55 D 4.8255 8.0139 119.6964 54.4300 41.7505 175.9355 56 D 4.9287 10.1114 120.9185 52.9807 43.8431 175.6854 57 T 4.6750 8.4217 120.1327 62.1320 68.4292 174.5958 58 L 4.2355 8.7082 127.6688 57.0155 42.3295 177.2830 59 A 4.5179 7.6558 118.0537 51.7568 22.1308 175.0989 60 S 4.9359 8.3643 111.8082 57.8132 65.6367 174.3770 61 A 4.7671 9.1483 122.0480 50.5881 21.2688 174.6308 62 H 5.1392 8.5117 120.1968 54.0304 33.1039 174.9509 63 S 4.2820 8.5382 117.8869 61.0630 63.2516 175.9436 64 S 4.2328 8.3418 116.3790 61.5253 62.8420 176.4781 65 D 4.7046 7.5007 115.9659 52.9488 38.8747 177.6384 66 L 4.0352 8.4539 124.2365 58.3567 42.0275 178.0632 67 A 4.4596 8.2213 120.2983 55.5919 18.0308 178.7859 68 E 3.3928 8.4322 115.9931 59.1700 29.7183 177.6224 69 Y 4.5358 8.3328 114.7810 56.8306 39.5497 175.3323 70 G 4.6849 9.2021 111.3572 46.0989 0.0000 173.7108 71 W 5.1035 7.9172 126.4712 55.8914 33.9414 173.8365 72 E 4.3128 8.2358 124.7267 56.2397 31.1898 175.3965 73 A 2.8430 5.8000 120.3436 50.0533 19.3252 175.1749 74 P 4.4843 0.0000 0.0000 63.1338 31.1731 176.6481 75 T 5.1089 7.7327 105.6471 61.5603 70.7033 174.2562 76 G 3.9169 8.1958 110.4215 45.9179 0.0000 173.5884 77 N 4.6338 8.0144 123.2250 53.2568 38.6505 175.1741 *78 M 4.4916 8.0975 116.7955 53.8390 33.7216 173.8431 79 P 4.7731 0.0000 0.0000 65.0134 31.5712 178.3345 80 S 3.8932 8.4765 111.7908 61.2876 62.3851 176.0723 81 A 3.9559 8.1270 123.5786 55.2953 18.0820 178.6128 82 Y 4.1596 7.7297 117.7871 61.1445 38.7962 178.2795 83 L 4.0453 8.1827 119.3976 58.3052 41.7313 179.6713 84 T 3.7845 7.8438 115.3916 66.6632 68.3613 176.6056 85 G 3.5893 7.9092 107.3529 47.7994 0.0000 175.2911 86 L 4.4398 7.6808 124.1814 57.1738 41.9989 178.7686 87 L 3.7327 8.0677 120.3934 58.1107 42.0122 178.8217 88 A 4.0167 8.3604 121.2147 55.0881 18.3819 179.7745 89 G 3.5660 8.6268 104.8094 47.8299 0.0000 175.9567 90 L 3.9600 7.9858 120.7247 57.7195 41.8695 179.4701 91 R 4.0291 8.2914 118.1292 58.9999 29.9292 178.7462 92 A 3.9974 8.3822 120.9786 55.5071 18.3760 179.3441 93 Q 4.1720 7.7834 117.3246 58.7856 28.6559 179.8018 94 E 4.0001 7.7478 117.6383 58.6951 29.4616 178.2322 95 A 4.5031 8.2700 119.1486 51.7908 19.1494 177.4444 96 G 3.9627 8.2575 108.8287 45.7414 0.0000 175.0873 97 V 3.6100 7.6363 119.1965 63.8566 32.0223 175.7161 98 E 4.6500 8.9101 124.5530 56.5109 32.8461 175.4516 99 E 5.2768 8.1504 114.4550 54.7646 33.3184 174.7693 100 A 5.2925 9.0637 121.6335 50.9536 23.8950 174.9262 101 V 4.4937 8.0872 116.9239 61.1353 34.7385 173.9888 102 L 3.9928 8.8584 130.3808 56.1804 42.8199 176.0059 103 D 4.8031 8.7853 127.2378 52.3176 42.2330 175.5877 104 I 4.1426 8.2911 118.2084 59.6683 38.9178 177.4021 105 G 3.6767 8.0281 112.7014 47.7202 0.0000 174.3401 106 L 4.5089 8.5140 122.8725 54.4681 41.5372 175.9155 107 N 4.7557 7.7837 116.2384 52.2553 39.8354 174.9478 108 S 4.5611 8.0775 116.1511 57.1137 64.5662 173.8970 109 P 4.3567 0.0000 0.0000 62.4523 30.3197 177.2828 110 T 4.1620 7.2978 115.8905 62.4692 69.6174 173.2642 111 P 4.8325 0.0000 0.0000 64.0828 31.7379 177.1384 112 G 4.0335 9.6110 111.2672 46.1198 0.0000 174.4754 113 S 4.3253 7.7983 116.0642 58.0808 64.7764 175.1759 114 K 3.9519 8.5260 122.5078 59.9517 31.8157 180.0605 115 V 3.7081 7.5847 112.1195 64.2504 31.3411 178.4198 116 F 4.6802 7.8998 117.0323 60.1931 38.9630 177.3433 117 A 4.1861 8.3084 120.7400 55.4289 18.2095 179.3841 118 I 3.5465 8.3636 118.4034 64.7298 37.1833 177.9452 119 Q 3.9404 7.9303 119.8945 59.5064 28.7271 178.6663 120 E 4.0022 8.6301 120.2808 59.4259 29.6710 178.9942 121 G 2.4425 7.8678 105.3220 47.4252 0.0000 175.4305 122 A 4.0402 7.9201 122.8425 54.7571 18.2222 179.8452 123 I 4.0292 7.6811 119.5842 64.0333 37.4324 178.0087 124 D 4.4870 8.9096 120.7508 57.1018 40.4551 178.1569 125 A 4.1423 7.5194 117.0215 52.9770 18.3081 177.9523 126 G 3.8641 7.9710 106.6230 44.8531 0.0000 173.6457 127 L 4.3631 7.5378 122.7200 54.6201 43.7684 175.7295 128 D 4.9391 9.2565 126.7749 53.5373 41.5265 175.3034 129 I 5.2494 7.9008 123.8975 57.3282 40.2048 173.5929 130 P 4.3576 0.0000 0.0000 63.5223 31.7424 175.1340 131 H 4.8235 8.4165 119.7247 54.1124 31.8307 172.4156 132 N 4.4967 8.2430 117.4341 52.6017 39.4547 174.2972 133 D 4.3251 8.6366 125.5442 57.8939 41.1493 179.1690 134 D 4.4150 8.0124 117.7928 55.2151 39.5616 177.3159 135 V 3.9722 7.6947 119.3277 61.8687 32.1645 175.3047 136 L 4.7474 8.1912 122.2691 52.9203 42.7080 176.2741 137 A 4.1427 8.7697 126.5230 52.2032 19.1793 176.8239 138 D 4.6406 8.7019 118.9348 52.9215 40.5712 177.3053 139 W 5.1267 8.6886 130.5992 61.1061 31.0466 177.8924 140 Q 3.7197 8.3548 117.4033 59.2312 27.9858 179.4729 141 R 3.8536 7.7650 117.9918 59.7675 30.4260 178.2565 142 T 3.8383 7.8129 114.9621 66.7038 68.1272 176.5708 143 R 2.5100 6.7623 119.3159 58.5847 30.2992 176.9845 144 G 3.6961 7.6782 104.8166 45.1335 0.0000 175.1664 145 A 3.9382 8.3668 123.7952 55.6213 18.0207 179.3905 146 H 4.0572 8.3966 111.5015 59.1624 28.1934 176.8008 147 I 3.8978 7.5237 120.6519 63.6892 37.8849 177.0262 148 A 3.9949 7.8051 121.1054 55.4445 18.1709 179.1535 149 E 4.0819 8.2320 115.4793 59.8460 29.6926 179.2065 150 Y 4.3471 7.7409 119.3814 60.5156 38.8104 177.0147 151 D 4.1594 8.5599 118.6333 55.8529 41.0952 177.7315 152 E 3.8813 7.6829 119.5543 59.2704 30.3909 178.3822 153 Q 4.4200 7.4061 116.9799 54.8313 29.3896 177.0033 154 L 3.9455 7.2758 121.6930 54.8368 41.6089 179.6558 155 E 4.0087 10.7794 117.3677 56.2155 29.1057 173.3762 156 E 4.4352 7.9525 113.2101 55.5266 32.9540 173.1983 157 P 3.9425 0.0000 0.0000 61.7216 31.8648 175.7997 158 L 3.8304 8.4257 126.1401 58.0527 42.0638 176.9830 159 Y 4.7789 7.3603 114.0651 56.9443 38.9404 175.4541 160 S 4.2206 8.6655 118.6675 61.2598 63.0388 174.8744 161 G 3.7097 7.7326 109.0544 45.3216 0.0000 173.1333 162 D 4.6304 8.3762 121.0101 52.9228 40.1510 176.4661 163 F 4.4330 8.7457 128.6134 58.1540 40.2640 175.5897 164 D 4.8646 7.7862 121.5421 52.2153 40.8744 176.4710 165 A 4.0343 7.8063 124.0949 54.2447 17.7637 178.7580 166 A 4.6775 8.5234 119.5096 50.6889 19.1333 178.8474 167 D 5.3389 7.6939 116.8605 53.5140 40.6654 173.0018 168 L 4.7239 8.0941 116.9977 52.2959 44.9257 176.0252 169 P 4.3171 0.0000 0.0000 64.7249 31.2211 178.4055 170 E 4.5193 8.1738 119.0690 59.2003 29.3852 178.2308 171 H 4.4351 7.9366 119.2746 58.6171 29.7521 176.9550 172 F 4.6387 8.4211 122.2434 61.6517 39.2917 176.7669 173 D 4.1224 8.2247 117.9226 57.5227 40.6415 178.5578 174 E 4.0503 9.3214 119.9683 59.1669 29.3904 179.2447 175 L 4.1834 8.1743 120.4442 58.0168 42.2604 178.7950 176 R 3.7834 8.2084 118.9607 59.0989 29.4648 178.0053 177 E 3.9086 8.5850 119.5915 59.8112 29.4782 179.0584 178 T 3.9449 7.5565 113.7999 66.2805 68.4818 176.2333 179 L 4.2670 7.5749 120.0676 57.4392 42.1527 178.9647 180 L 4.0803 7.9573 117.5525 56.4555 41.8776 177.5924 181 D 4.3922 7.3196 118.2023 53.6780 41.3725 175.0482 182 G 3.6207 8.8692 111.6921 48.7879 0.0000 176.5115 183 D 3.5162 8.5900 111.7057 52.9462 42.2393 179.0059 184 I 3.0262 8.9298 117.6235 63.0165 38.0651 173.3049 185 E 4.4280 8.3185 127.7688 54.2613 28.0622 176.1456 186 L 4.5992 8.0456 120.8680 54.3849 41.6503 177.4149 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 A 8.26 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 7.00 3.73 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 3 G 8.09 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 4 P 0.00 4.39 0.00 2.07 2.14 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 2.04 2.08 0.00 5 R 7.90 4.13 0.00 1.79 1.98 0.00 3.27 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 6 Y 7.27 3.90 0.00 3.04 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 7 K 7.51 4.23 0.00 1.54 1.36 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.20 1.29 7.81 8 V 8.06 4.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.19 0.00 0.00 9 P 0.00 4.34 0.00 2.07 1.96 0.00 3.78 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 2.04 2.08 0.00 10 M 8.32 4.06 0.00 1.89 1.65 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 11 R 8.91 3.88 0.00 1.88 2.00 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 1.93 1.79 0.00 12 R 8.09 4.22 0.00 2.17 2.12 0.00 3.18 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 13 R 8.53 4.20 0.00 1.87 2.02 0.00 3.25 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 14 R 7.97 3.93 0.00 1.93 2.02 0.00 3.29 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.02 0.00 15 E 8.09 3.98 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 16 A 7.91 3.73 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.21 4.60 0.00 1.80 1.92 0.00 3.34 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 18 T 7.71 4.35 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 19 D 8.35 4.71 0.00 2.72 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 20 Y 8.62 3.96 0.00 3.03 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 21 H 8.30 4.18 0.00 3.39 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 9.25 4.13 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 23 R 7.92 3.74 0.00 1.86 1.97 0.00 2.67 0.00 0.00 2.81 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 24 L 8.02 3.88 0.00 1.83 1.70 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.41 3.89 0.00 2.05 2.02 0.00 3.24 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 26 L 7.83 4.10 0.00 2.11 1.74 0.98 0.73 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 27 L 8.47 4.07 0.00 1.82 1.70 0.91 0.85 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 28 K 8.21 4.04 0.00 1.92 1.88 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.68 7.81 29 S 7.60 4.23 0.00 4.00 4.01 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 30 G 8.24 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 31 K 6.95 4.35 0.00 1.89 1.77 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.55 7.81 32 P 0.00 4.68 0.00 2.06 2.00 0.00 3.80 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 2.09 2.10 0.00 33 R 8.75 4.59 0.00 1.75 1.81 0.00 3.26 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 34 L 8.36 4.75 0.00 1.77 1.55 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 35 V 9.01 4.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.90 0.00 0.00 36 A 8.38 5.12 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 37 R 9.01 4.73 0.00 1.64 1.77 0.00 3.20 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 38 K 8.20 5.21 0.00 1.55 1.68 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.70 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.36 7.81 39 S 8.70 4.58 0.00 3.85 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 40 N 8.96 4.25 0.00 2.75 2.89 0.00 0.00 6.88 7.61 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 41 K 7.95 4.26 0.00 1.63 1.65 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.42 7.81 42 H 7.58 5.05 0.00 3.02 3.14 0.00 5.56 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.17 4.76 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 0.90 0.00 0.00 0.99 0.00 0.00 44 R 8.79 5.02 0.00 1.70 1.61 0.00 3.08 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 45 A 8.97 5.18 1.14 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 46 Q 9.17 4.83 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 47 L 9.45 4.73 0.00 1.63 1.61 0.94 -0.48 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 48 V 9.00 4.76 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 0.90 0.00 0.00 0.95 0.00 0.00 49 T 9.14 4.96 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 50 L 8.54 3.94 0.00 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0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.66 4.52 1.17 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 60 S 8.36 4.94 0.00 3.94 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 9.15 4.77 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.51 5.14 0.00 3.23 3.35 0.00 5.59 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.54 4.28 0.00 4.10 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 64 S 8.34 4.23 0.00 3.92 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 65 D 7.50 4.70 0.00 2.88 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 66 L 8.45 4.04 0.00 1.57 1.75 0.54 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.84 3.78 4.31 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 0.00 0.00 0.00 1.11 0.00 0.00 85 G 7.91 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 86 L 7.68 4.44 0.00 1.38 1.68 0.95 0.76 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 87 L 8.07 3.73 0.00 1.58 1.65 0.58 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.36 4.02 1.27 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 89 G 8.63 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.99 3.96 0.00 1.70 1.71 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.29 4.03 0.00 1.94 1.96 0.00 3.09 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 1.75 0.00 92 A 8.38 4.00 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 93 Q 7.78 4.17 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 94 E 7.75 4.00 0.00 2.12 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 0.00 2.35 2.48 0.00 95 A 8.27 4.50 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 96 G 8.26 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.64 3.61 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 0.97 0.00 0.00 0.92 0.00 0.00 98 E 8.91 4.65 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.57 0.00 99 E 8.15 5.28 0.00 2.01 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 0.00 2.15 2.27 0.00 100 A 9.06 5.29 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.31 4.19 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.36 3.55 2.09 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 1.52 1.10 0.86 0.00 0.00 119 Q 7.93 3.94 0.00 2.28 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 120 E 8.63 4.00 0.00 2.17 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 2.78 2.53 0.00 121 G 7.87 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.92 4.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.68 4.03 1.92 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 1.46 1.72 0.75 0.00 0.00 124 D 8.91 4.49 0.00 2.82 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 0.00 125 A 7.52 4.14 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 0.00 126 G 7.97 3.86 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 0.00 127 L 7.54 4.36 0.00 1.82 1.56 0.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.26 4.94 0.00 2.72 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 0.00 129 I 7.90 5.25 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.71 0.92 0.00 0.00 130 P 0.00 4.36 0.00 1.93 2.03 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 131 H 8.42 4.82 0.00 3.22 3.22 0.00 5.52 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.24 4.50 0.00 2.57 2.51 0.00 0.00 6.88 8.49 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 0.00 133 D 8.64 4.33 0.00 2.71 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 0.00 134 D 8.01 4.41 0.00 2.74 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 0.00 135 V 7.69 3.97 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 0.17 0.00 0.00 0.82 0.00 0.00 136 L 8.19 4.75 0.00 1.70 1.72 0.94 0.59 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 0.00 137 A 8.77 4.14 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 0.00 138 D 8.70 4.64 0.00 2.92 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 0.00 139 W 8.69 5.13 0.00 3.33 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.35 3.72 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 141 R 7.77 3.85 0.00 1.77 2.03 0.00 3.19 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.36 0.00 142 T 7.81 3.84 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 1.12 0.00 0.00 143 R 6.76 2.51 0.00 1.50 1.65 0.00 3.05 0.00 0.00 2.74 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.50 0.00 144 G 7.68 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.37 3.94 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 0.00 146 H 8.40 4.06 0.00 3.30 3.43 0.00 5.53 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.52 3.90 1.65 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 1.38 1.33 1.00 0.00 0.00 148 A 7.81 3.99 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 0.00 149 E 8.23 4.08 0.00 2.05 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 0.00 2.41 2.39 0.00 150 Y 7.74 4.35 0.00 3.01 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 0.00 151 D 8.56 4.16 0.00 2.48 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 7.68 3.88 0.00 1.95 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 2.32 2.38 0.00 153 Q 7.41 4.42 0.00 2.33 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 154 L 7.28 3.95 0.00 1.89 0.63 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 155 E 10.78 4.01 0.00 2.10 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 2.12 2.28 0.00 156 E 7.95 4.44 0.00 1.89 1.78 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 2.17 2.18 0.00 157 P 0.00 3.94 0.00 2.04 1.99 0.00 3.67 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 158 L 8.43 3.83 0.00 1.32 1.40 0.68 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 159 Y 7.36 4.78 0.00 3.07 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 0.00 160 S 8.67 4.22 0.00 3.87 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 7.73 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 0.00 0.00 0.00 162 D 8.38 4.63 0.00 2.70 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 0.00 163 F 8.75 4.43 0.00 2.74 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 0.00 164 D 7.79 4.86 0.00 2.80 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 0.00 165 A 7.81 4.03 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 0.00 166 A 8.52 4.68 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 D 7.69 5.34 0.00 2.89 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 0.00 168 L 8.09 4.72 0.00 1.67 1.54 0.73 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 169 P 0.00 4.32 0.00 2.17 2.06 0.00 3.63 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 2.10 2.17 0.00 170 E 8.17 4.52 0.00 2.11 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 0.00 2.43 2.33 0.00 171 H 7.94 4.44 0.00 3.36 3.48 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 F 8.42 4.64 0.00 3.48 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 D 8.22 4.12 0.00 2.96 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 0.00 174 E 9.32 4.05 0.00 2.21 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 2.39 2.53 0.00 175 L 8.17 4.18 0.00 2.17 1.73 1.17 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 176 R 8.21 3.78 0.00 1.23 1.57 0.00 3.29 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 177 E 8.58 3.91 0.00 2.25 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 0.00 2.34 2.43 0.00 178 T 7.56 3.94 4.49 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 1.34 0.00 0.00 179 L 7.57 4.27 0.00 1.60 1.65 0.72 0.83 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 L 7.96 4.08 0.00 1.61 1.76 1.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 181 D 7.32 4.39 0.00 2.85 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 0.00 182 G 8.87 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 D 8.59 3.52 0.00 2.73 2.37 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 0.00 184 I 8.93 3.03 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.00 1.11 0.00 0.00 185 E 8.32 4.43 0.00 1.89 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 0.00 2.24 2.27 0.00 186 L 8.05 4.60 0.00 1.67 1.64 0.93 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 * Residues marked with a * may have inaccurate shift predictions.