NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9019 8.3129 109.7350 44.9876 0.0000 175.2891 3 D 4.1803 8.6630 121.4233 57.7645 39.5122 177.1828 4 R 4.1001 8.6494 121.4217 59.2071 30.5864 177.8866 5 E 4.1379 8.2391 120.3291 59.6335 29.5971 179.5900 6 Q 4.0355 8.3019 121.2691 60.1730 28.0568 182.4772 7 L 4.1962 7.8976 120.9668 57.6830 41.7170 179.6089 8 L 3.9987 7.9429 118.9924 57.5581 41.4795 179.1884 9 Q 3.8971 8.4202 120.0192 59.3215 29.0300 178.4070 10 R 3.8334 8.0192 119.2469 59.4678 30.0796 178.1452 11 A 3.9984 8.3347 120.7495 55.4110 18.4263 179.8955 12 R 3.9172 7.9955 116.4950 59.2103 30.0319 179.2807 13 L 3.9289 7.9707 118.6683 57.7745 41.6545 179.3277 14 A 3.8659 8.0076 120.6392 54.9801 18.2555 179.1832 15 E 3.7307 8.2145 117.6670 59.7654 29.5630 179.2529 16 Q 4.0249 7.8026 116.0686 58.4250 28.8255 177.7217 17 A 4.2284 7.8310 119.1933 51.0685 19.3012 176.6171 18 E 2.9508 7.6438 115.8793 57.7080 28.0316 176.0879 19 R 4.4442 7.4685 116.4122 54.7690 29.9020 176.8270 20 Y 4.2740 7.5618 118.8130 60.7298 38.4335 177.2840 21 D 4.3200 8.1049 119.7599 57.3345 40.8122 178.2210 22 D 4.3775 7.9902 119.0880 57.2091 40.9129 178.2632 23 M 3.9961 7.9812 118.7746 58.5113 32.1888 178.1918 24 A 3.6084 8.1813 121.2631 55.0598 18.4645 179.6943 25 S 4.0517 7.9796 113.4059 61.7026 62.7976 176.9401 26 A 3.9869 7.7749 123.2589 55.5361 18.2021 179.7112 27 M 4.0404 8.0840 117.2201 58.0210 31.8652 178.9514 28 K 3.9826 8.4202 120.0577 59.5001 32.2018 178.7527 29 A 4.0627 7.8158 119.7128 55.0748 18.4694 179.2800 30 V 3.6286 8.0407 117.1045 66.5475 31.5661 178.4405 31 T 3.7472 7.9276 115.2307 66.5694 68.1533 176.2395 32 E 2.9850 7.8802 118.1553 57.5579 29.2534 178.4571 33 L 4.0131 7.4288 119.5078 54.8419 41.3863 177.0592 34 N 4.6359 7.4258 116.0406 54.2394 37.9344 173.1270 35 E 4.7567 7.1938 114.2833 52.9055 32.2887 174.2491 36 P 4.5075 0.0000 0.0000 62.7136 32.2214 175.5847 37 L 4.5927 8.1513 119.7193 53.1886 43.4135 177.5178 38 S 4.4087 8.9801 118.6801 57.6189 65.1232 175.0955 39 N 4.0419 8.6473 118.9463 56.7644 38.1542 177.3876 40 E 3.9341 8.0479 118.8876 59.4540 29.6574 178.9432 41 D 4.3174 7.9360 118.6833 57.5386 41.0124 178.8898 42 R 3.9539 8.4518 119.3673 59.5667 29.8839 178.2746 43 N 4.5830 8.3547 116.3925 55.9496 38.4977 177.4743 44 L 4.0664 7.9135 120.8599 57.4746 41.7568 179.1240 45 L 4.0787 8.0321 120.3770 58.3884 42.1445 179.0822 46 S 4.3305 8.2749 113.0012 61.3683 62.4050 176.2010 47 V 3.6100 8.3960 121.2392 65.8832 31.3863 177.4950 48 A 3.9989 8.1629 120.4530 55.9327 18.2589 179.3648 49 Y 4.0797 8.1169 114.4371 60.5124 37.9202 178.2324 50 K 3.9767 8.3544 120.9776 59.9190 32.3017 178.5732 51 N 4.1394 7.9211 116.4198 56.0672 38.4024 177.3773 52 V 3.5791 7.6553 119.7190 66.1902 31.6124 178.5439 53 V 3.7954 8.2579 118.9118 64.5508 31.1918 178.5378 54 G 3.4206 8.1912 106.4419 47.5290 0.0000 175.5499 55 A 4.0271 7.9110 123.2384 55.0181 18.4396 179.9735 56 R 3.9173 7.8626 116.0962 59.3921 30.0252 179.6286 57 R 3.9599 8.1785 118.0517 59.2062 29.9490 178.8020 58 S 4.1372 8.4628 113.3984 61.6753 62.3598 176.5893 59 S 4.1482 8.1875 117.6318 61.2387 62.5306 176.2512 60 W 4.0067 8.6934 131.4494 60.6884 30.4256 177.9296 61 R 3.9164 8.6568 118.2562 59.5195 29.6594 179.2605 62 V 3.5672 7.4325 117.8240 66.0524 31.4728 178.2149 63 I 3.7728 7.5913 119.5268 64.0692 36.9695 178.2803 64 S 3.6408 7.7760 114.4550 61.1940 62.1156 176.2074 65 S 4.0237 7.8368 115.8430 61.2894 62.1213 176.2090 66 I 3.6577 7.5679 122.1990 64.2215 36.7698 177.6810 67 E 3.8858 8.2786 120.4721 59.6682 29.3721 179.0779 68 Q 4.0076 8.1581 120.1320 59.5590 28.7731 179.5497 69 K 4.0170 7.8823 124.2024 60.1327 31.6936 181.1357 70 T 4.1622 8.0613 116.6144 66.3998 68.3904 176.8093 71 M 3.9578 8.3386 120.2649 58.7216 32.1397 178.0587 72 A 4.0343 7.8184 119.3731 55.3477 18.5869 178.7995 73 D 4.5298 7.9616 115.4364 54.7963 40.9723 177.2591 74 G 3.7739 7.7498 107.3478 46.7498 0.0000 174.5403 75 N 4.6320 7.7246 119.6509 51.7564 38.0191 175.0730 76 E 3.9997 8.4794 128.8899 59.6525 29.2457 179.4105 77 K 4.7943 7.9403 124.4664 59.3210 31.8149 180.7215 78 K 4.3492 8.0379 121.2970 59.1266 32.0584 178.5474 79 L 3.9767 8.0566 120.9470 58.2135 42.0865 178.8676 80 E 4.0348 8.0682 117.2653 59.0323 29.3972 179.4613 81 K 3.9775 7.4700 120.1861 59.1782 32.1494 179.3266 82 V 3.5861 7.7694 118.4497 66.0078 31.4898 177.7158 83 K 3.8138 8.4086 119.4667 59.6190 31.9401 178.3109 84 A 4.0367 7.9449 120.4170 55.4118 18.2399 179.0778 85 Y 4.2677 7.9256 117.5860 60.9555 39.0443 177.7333 86 R 3.7164 8.3823 120.0276 59.6647 30.0442 178.3258 87 E 4.1083 8.4720 118.3612 59.0530 29.4062 179.1654 88 K 3.9951 8.1113 119.8616 59.5573 32.2115 178.9691 89 I 3.6576 7.8389 120.2914 64.2644 36.8970 177.9751 90 E 4.0190 8.3506 122.4303 59.8913 29.4518 179.6644 91 K 4.0132 8.1752 123.7117 59.6995 31.7530 180.7329 92 E 4.1505 8.0204 119.4335 59.2039 29.5809 179.0194 93 L 3.9388 8.0669 120.3308 58.4942 42.0532 178.8841 94 E 3.9869 8.4383 118.5521 59.7262 29.3107 179.5196 95 T 3.8529 8.1330 115.8248 66.7180 68.6143 176.8046 96 V 3.6917 7.9530 120.0595 66.1643 31.4749 177.9728 97 C 4.3421 8.0026 116.2709 62.9181 27.9650 175.8025 98 N 4.2416 8.4558 118.4088 56.1015 38.1659 177.2217 99 D 4.2625 8.2126 120.5228 57.2878 40.9414 178.9339 100 V 2.9624 7.1256 117.9660 65.8751 31.4089 178.0406 101 L 3.7394 7.6544 118.6232 57.6801 41.3376 179.4225 102 S 3.9835 8.1775 113.4012 61.3233 62.2968 176.2844 103 L 4.1244 7.6894 121.3359 57.8092 41.3021 179.4715 104 L 3.8182 7.6433 118.9381 57.5845 41.2552 179.3562 105 D 4.2316 7.7035 117.7895 57.2413 41.1362 178.8948 106 K 3.7872 7.9706 117.6798 58.4719 31.9364 177.3031 107 F 4.8501 7.4813 115.2494 59.1697 41.7094 176.9278 108 L 3.6718 7.9882 118.9534 57.9149 41.5811 179.0838 109 I 3.9547 7.9611 119.8120 63.9450 37.3472 178.3642 110 K 3.8006 8.0570 120.2649 59.2393 31.9712 176.6825 111 N 4.7777 7.6934 113.7636 53.0672 38.5420 174.3475 112 C 4.5311 7.6026 117.5408 58.8650 28.8730 173.6722 113 N 4.2759 9.0564 122.6207 52.7335 38.7253 175.7343 114 D 4.1548 7.9128 119.0503 57.0100 41.3614 176.7105 115 F 3.5045 6.7057 111.3562 56.7874 38.7828 177.0110 116 Q 4.3472 6.9764 123.5791 55.2946 24.9893 175.8500 117 Y 4.2480 7.1709 121.9890 61.1124 38.6632 177.9003 118 E 3.9680 8.3272 119.7134 59.5026 29.6841 178.9945 119 S 3.8360 7.9598 114.5222 61.3841 63.0266 176.4649 120 K 4.0354 8.2639 121.3660 59.5921 31.8606 179.4617 121 V 3.6211 8.1051 118.5191 65.8935 31.5573 177.5759 122 F 3.8300 8.0907 120.3172 61.8138 39.1162 176.8349 123 Y 4.5166 8.2096 116.3751 60.9784 37.6862 178.2027 124 L 3.9716 8.2710 120.2413 57.4926 41.6218 179.3643 125 K 3.8326 8.1444 119.7762 59.4779 32.0952 178.6321 126 M 4.0290 7.7485 118.4848 58.3457 32.1688 178.1345 127 K 3.9455 8.3911 120.3731 59.2063 32.3160 178.9298 128 G 2.3990 7.6416 105.9626 47.4372 0.0000 175.1405 129 D 4.2303 7.7299 123.3967 56.6298 40.8614 178.8280 130 Y 3.5979 7.8016 116.7734 60.8763 37.8469 177.8591 131 Y 4.1495 7.8502 117.8757 60.8739 37.8446 178.3474 132 R 4.0512 7.9448 119.9122 59.5352 29.8966 178.2389 133 Y 4.4879 7.2400 116.0152 60.9882 38.1119 177.9501 134 L 4.0823 7.8991 119.3893 57.7650 41.1204 179.4307 135 A 4.1065 8.1256 120.3721 54.7631 18.0465 179.4196 136 E 4.1103 7.7877 116.1790 58.5661 29.5296 178.0534 137 V 3.8739 6.6744 109.2988 60.4911 33.6168 175.8228 138 A 4.2882 7.7547 122.8123 51.9404 18.8370 176.1262 139 S 4.6943 7.8964 112.9256 57.3497 67.3147 175.1693 140 G 3.9151 8.4350 110.8302 48.0938 0.0000 177.3155 141 E 4.0575 8.6232 120.3976 59.9671 29.7223 176.4372 142 K 4.2008 8.0202 118.1530 59.6108 32.1646 178.6302 143 K 3.9379 7.8070 120.0250 59.6692 32.1983 178.4412 144 N 4.2974 7.6973 116.2703 56.5374 38.4000 177.6601 145 S 4.0797 7.7610 115.4520 61.6980 62.9093 177.1762 146 V 3.4587 7.5708 115.2710 64.0677 31.2504 178.7429 147 V 3.7412 8.0833 118.3762 66.1297 31.3046 177.9462 148 E 3.9307 8.2859 117.9059 59.4333 29.3426 179.1200 149 A 3.6349 7.7318 120.7136 54.9548 18.1032 179.4954 150 S 3.6366 7.8803 111.5862 61.4361 62.4987 175.9847 151 E 3.4873 7.8844 121.5555 59.1140 29.5210 178.4845 152 A 3.9521 8.1003 120.6939 55.1218 18.3777 179.5652 153 A 3.7673 7.7976 119.0476 55.3878 18.3281 179.4276 154 Y 3.6677 7.3418 115.4856 60.8392 37.7047 178.6724 155 K 4.0737 8.0954 120.7987 59.7576 32.1058 178.3850 156 E 3.9710 8.0771 118.7365 59.2065 29.5512 178.5325 157 A 4.0470 8.0225 120.9469 55.0245 18.3273 179.5007 158 F 4.5318 8.3076 119.2246 61.5712 39.5395 177.1120 159 E 3.9390 8.3585 118.3016 59.7198 29.2296 179.6526 160 I 3.7018 7.5727 119.6687 64.3410 37.1624 178.7085 161 S 4.1078 8.2643 115.1843 61.3946 62.6344 176.4616 162 K 3.7254 7.9333 121.5774 59.2637 31.8318 178.8285 163 E 4.0634 7.7755 117.1908 58.5663 29.5616 177.8228 164 Q 4.4110 8.0921 114.5226 55.6139 29.9645 175.3187 165 M 4.8563 7.9464 117.3195 53.0810 35.9412 175.3916 166 Q 4.2100 8.4759 121.1230 55.0307 29.5416 175.8239 167 P 4.5770 0.0000 0.0000 65.3876 31.3562 177.2310 168 T 4.1769 7.7162 107.4520 62.5652 69.6969 175.0058 169 H 4.1288 8.5358 124.1852 55.7892 30.9105 173.5750 170 P 4.2947 0.0000 0.0000 65.8614 31.2544 178.7502 171 I 3.7794 8.0397 117.9095 64.4235 37.0963 178.0924 172 R 4.0222 8.1604 118.9582 59.6927 29.8125 178.3313 173 L 4.1852 8.3205 118.8136 57.7546 41.6365 179.7487 174 G 3.6267 8.5533 106.1302 47.6213 0.0000 175.4757 175 L 3.9726 8.5326 123.0146 57.8146 42.1353 178.8859 176 A 3.8120 8.3377 120.8746 55.0329 18.4718 179.0991 177 L 3.9319 8.1805 119.0744 58.7602 42.0450 179.1279 178 N 4.4350 8.2447 116.1158 56.0447 38.4660 177.3586 179 F 3.3487 8.0216 122.5177 60.8268 39.3781 177.4516 180 S 4.2583 8.2733 114.1381 61.4439 62.7028 176.7580 181 V 3.8632 7.9281 121.7224 65.6537 31.2876 177.5660 182 F 4.1182 8.3308 120.7522 61.6924 39.1508 176.8408 183 Y 3.9594 7.8691 116.0563 61.1091 37.2868 177.8675 184 Y 3.4303 7.8522 120.3858 60.0931 38.5629 177.0608 185 E 4.0652 8.1620 118.5544 58.2758 30.4063 177.2431 186 I 3.7754 7.3094 117.7390 64.2577 37.3650 177.0315 187 Q 4.0134 7.4495 115.8418 55.5324 29.1224 175.2677 188 N 3.9639 7.9181 113.6614 53.3528 36.6582 175.1576 189 A 4.5598 7.4627 118.7579 49.0902 19.2848 175.5590 190 P 4.2436 0.0000 0.0000 65.6670 31.7400 179.3179 191 E 3.9265 8.0253 117.6275 60.9439 29.5828 181.1840 192 Q 3.9032 7.8512 120.1133 58.9246 29.2042 178.0692 193 A 4.0697 7.7567 121.5941 55.3076 18.2157 179.4861 194 C 4.3563 8.3397 117.7844 63.3741 28.2476 176.6920 195 L 4.0491 7.6569 123.7253 59.4867 40.4861 180.7625 196 L 4.2392 7.7022 121.0260 58.1220 42.1198 179.0586 197 A 4.1097 8.0817 120.4090 55.0103 18.2282 179.5915 198 K 3.9453 8.9854 118.9125 59.6009 32.3144 178.4119 199 Q 3.9990 9.0070 120.6854 59.7085 29.0426 178.5953 200 A 4.2626 8.3222 121.3787 55.2498 18.3433 179.1730 201 F 4.0501 8.3631 119.0488 61.2952 39.5679 176.7688 202 D 4.5288 8.9075 118.6820 58.0021 40.6077 179.1126 203 D 4.3735 8.5261 117.7209 57.3191 40.8946 178.4889 204 A 4.1040 7.8306 120.8754 54.9948 18.1638 179.6355 205 I 3.4672 7.5957 117.6126 64.4314 37.1977 177.9772 206 A 4.1533 7.9131 120.5686 54.1355 18.5094 178.1443 207 E 4.7073 7.7781 116.7216 55.8750 30.5351 178.3878 208 L 4.0543 7.8249 120.8964 57.6892 42.2196 178.8398 209 D 4.6495 8.0784 115.4717 54.0227 39.4238 176.5026 210 T 4.2747 7.3738 107.8021 61.4718 69.2533 174.1373 211 L 4.2974 7.5297 125.1151 53.9421 42.3607 176.0045 212 N 4.5249 8.5375 124.3688 52.7972 39.5259 175.6375 213 E 3.8405 9.1892 125.5722 60.2959 29.6138 179.1636 214 D 4.5780 8.1990 115.3756 55.0645 40.0353 178.7617 215 S 4.9361 8.3031 112.0163 57.2940 64.8290 176.0534 *216 Y 4.1026 8.2133 126.7117 62.9440 36.3145 184.8244 217 K 4.2206 7.9189 124.3171 59.9317 31.9291 181.4656 218 D 4.5562 7.9573 120.0719 57.3488 40.9307 178.9886 219 S 4.3056 8.1125 115.9651 61.5775 62.8007 176.8435 220 T 3.9147 7.8751 112.3675 64.3891 68.6375 176.4269 221 L 3.9208 7.7258 122.8282 58.3032 42.2019 179.2291 222 I 3.8059 7.8058 119.5324 64.3942 36.9570 178.4716 223 M 4.1491 8.1677 119.8042 58.3488 31.8213 178.1969 224 Q 4.0349 8.4374 120.1260 59.5881 29.1836 178.8524 225 L 4.3484 7.6986 120.6547 57.0598 41.4953 179.5519 226 L 3.9306 8.0976 121.5692 58.5042 41.5380 180.3602 227 R 3.6347 8.0095 120.4783 61.2593 29.1138 180.2301 228 D 4.3720 7.9588 119.4243 57.3434 40.8175 178.3711 229 N 3.2970 7.5008 116.6066 56.1013 38.4133 177.3096 230 L 3.8829 7.4889 120.1747 57.9324 41.5725 179.8346 231 T 3.7697 7.8454 109.7612 64.6413 68.5350 176.1945 232 L 3.9059 7.7655 122.6883 57.4869 42.1389 178.8169 233 W 4.4353 7.9556 117.8721 60.1551 29.1558 178.4845 234 T 4.3204 7.9328 108.5188 63.5647 68.2488 174.6338 235 S 4.4817 8.1559 119.3926 61.3320 63.3807 174.4818 236 D 4.6062 8.8153 125.3062 52.8493 40.1667 174.1344 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 G 8.31 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 0.00 0.00 0.00 3 D 8.66 4.18 0.00 2.78 2.71 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 4 R 8.65 4.10 0.00 1.84 1.93 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 5 E 8.24 4.14 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 1.94 0.00 6 Q 8.30 4.04 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 7 L 7.90 4.20 0.00 1.87 1.72 0.89 0.63 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 8 L 7.94 4.00 0.00 1.70 1.71 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.42 3.90 0.00 2.25 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 10 R 8.02 3.83 0.00 1.96 2.16 0.00 3.18 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 11 A 8.33 4.00 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 12 R 8.00 3.92 0.00 2.03 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 13 L 7.97 3.93 0.00 1.84 1.69 0.91 0.77 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 14 A 8.01 3.87 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 15 E 8.21 3.73 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 16 Q 7.80 4.02 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 17 A 7.83 4.23 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 18 E 7.64 2.95 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.18 0.00 19 R 7.47 4.44 0.00 1.64 1.74 0.00 3.07 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 20 Y 7.56 4.27 0.00 3.02 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.10 4.32 0.00 2.76 2.71 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 22 D 7.99 4.38 0.00 2.81 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 M 7.98 4.00 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.59 0.00 24 A 8.18 3.61 0.74 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 0.00 0.00 25 S 7.98 4.05 0.00 3.89 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.77 3.99 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 27 M 8.08 4.04 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.85 0.00 28 K 8.42 3.98 0.00 2.16 2.06 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.56 7.81 29 A 7.82 4.06 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 30 V 8.04 3.63 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 31 T 7.93 3.75 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 1.10 0.00 0.00 32 E 7.88 2.99 0.00 1.97 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 2.32 2.38 0.00 33 L 7.43 4.01 0.00 1.68 1.62 0.87 0.41 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 34 N 7.43 4.64 0.00 2.83 2.86 0.00 0.00 6.98 7.06 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 35 E 7.19 4.76 0.00 1.75 1.80 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 2.22 2.17 0.00 36 P 0.00 4.51 0.00 2.20 2.08 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 37 L 8.15 4.59 0.00 1.74 1.65 1.00 0.88 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 38 S 8.98 4.41 0.00 4.01 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 39 N 8.65 4.04 0.00 2.78 2.88 0.00 0.00 6.81 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 40 E 8.05 3.93 0.00 2.00 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 0.00 2.40 2.39 0.00 41 D 7.94 4.32 0.00 2.84 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 42 R 8.45 3.95 0.00 1.79 1.84 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.42 0.00 43 N 8.35 4.58 0.00 2.93 2.92 0.00 0.00 6.98 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.91 4.07 0.00 1.96 1.76 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.03 4.08 0.00 1.90 2.01 1.11 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.27 4.33 0.00 4.35 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.40 3.61 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 1.00 0.00 0.00 1.05 0.00 0.00 48 A 8.16 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 49 Y 8.12 4.08 0.00 3.11 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 50 K 8.35 3.98 0.00 2.05 2.02 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.52 7.81 51 N 7.92 4.14 0.00 2.08 2.04 0.00 0.00 6.72 7.69 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 52 V 7.66 3.58 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 1.10 0.00 0.00 0.93 0.00 0.00 53 V 8.26 3.80 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.83 0.00 0.00 54 G 8.19 3.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.91 4.03 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 56 R 7.86 3.92 0.00 1.85 2.01 0.00 3.31 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 57 R 8.18 3.96 0.00 1.91 1.94 0.00 2.26 0.00 0.00 2.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 58 S 8.46 4.14 0.00 3.85 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 59 S 8.19 4.15 0.00 4.07 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 60 W 8.69 4.01 0.00 3.44 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.66 3.92 0.00 2.13 2.04 0.00 3.26 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 62 V 7.43 3.57 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.02 0.00 0.00 63 I 7.59 3.77 1.65 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.72 0.88 0.00 0.00 64 S 7.78 3.64 0.00 2.72 3.26 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 65 S 7.84 4.02 0.00 3.98 3.95 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 66 I 7.57 3.66 1.96 0.00 0.00 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 1.39 0.79 0.90 0.00 0.00 67 E 8.28 3.89 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 68 Q 8.16 4.01 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 69 K 7.88 4.02 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 70 T 8.06 4.16 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 1.20 0.00 0.00 71 M 8.34 3.96 0.00 2.19 2.04 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 2.59 2.55 0.00 72 A 7.82 4.03 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 73 D 7.96 4.53 0.00 2.81 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 74 G 7.75 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 0.00 0.00 0.00 75 N 7.72 4.63 0.00 2.76 2.73 0.00 0.00 7.25 8.32 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 76 E 8.48 4.00 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 77 K 7.94 4.79 0.00 1.76 1.82 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 0.93 7.81 78 K 8.04 4.35 0.00 1.75 1.91 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.43 7.81 79 L 8.06 3.98 0.00 1.96 1.82 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.07 4.03 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 81 K 7.47 3.98 0.00 2.17 1.87 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.62 7.81 82 V 7.77 3.59 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 83 K 8.41 3.81 0.00 1.87 1.87 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.49 7.81 84 A 7.94 4.04 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 7.93 4.27 0.00 2.96 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.38 3.72 0.00 1.87 2.01 0.00 3.39 0.00 0.00 2.87 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.52 0.00 87 E 8.47 4.11 0.00 2.33 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 88 K 8.11 4.00 0.00 1.92 2.04 0.00 1.82 0.00 0.00 1.97 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.54 7.81 89 I 7.84 3.66 1.98 0.00 0.00 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 1.14 -0.02 1.03 0.00 0.00 90 E 8.35 4.02 0.00 2.53 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 91 K 8.18 4.01 0.00 1.82 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.36 7.81 92 E 8.02 4.15 0.00 2.19 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 2.35 2.54 0.00 93 L 8.07 3.94 0.00 1.85 1.77 0.67 1.14 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 E 8.44 3.99 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 95 T 8.13 3.85 4.42 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 0.00 0.00 0.00 1.24 0.00 0.00 96 V 7.95 3.69 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.08 0.00 0.00 97 C 8.00 4.34 0.00 3.22 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 98 N 8.46 4.24 0.00 2.68 2.81 0.00 0.00 7.06 8.58 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 99 D 8.21 4.26 0.00 2.87 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 0.00 100 V 7.13 2.96 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 0.13 0.00 0.00 -0.32 0.00 0.00 101 L 7.65 3.74 0.00 1.51 1.39 -0.05 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.18 3.98 0.00 3.84 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.69 4.12 0.00 1.83 1.68 0.84 0.62 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 0.00 104 L 7.64 3.82 0.00 1.73 1.61 0.80 1.17 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 0.00 105 D 7.70 4.23 0.00 2.65 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 0.00 106 K 7.97 3.79 0.00 0.79 0.74 0.00 1.33 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.17 1.36 7.81 107 F 7.48 4.85 0.00 3.11 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.99 3.67 0.00 1.00 0.13 0.67 0.45 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 0.00 109 I 7.96 3.95 1.92 0.00 0.00 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 1.30 1.28 0.93 0.00 0.00 110 K 8.06 3.80 0.00 1.80 1.79 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.43 7.81 111 N 7.69 4.78 0.00 2.83 2.82 0.00 0.00 7.07 7.53 0.00 0.00 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 C 7.60 4.53 0.00 3.08 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 9.06 4.28 0.00 1.84 1.44 0.00 0.00 6.26 7.65 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 0.00 114 D 7.91 4.15 0.00 2.46 2.62 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 0.00 115 F 6.71 3.50 0.00 2.83 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 0.00 116 Q 6.98 4.35 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.21 0.00 117 Y 7.17 4.25 0.00 3.06 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 0.00 118 E 8.33 3.97 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 119 S 7.96 3.84 0.00 3.95 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.26 4.04 0.00 1.99 1.95 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.50 7.81 121 V 8.11 3.62 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 1.06 0.00 0.00 1.12 0.00 0.00 122 F 8.09 3.83 0.00 3.11 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 0.00 123 Y 8.21 4.52 0.00 3.13 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 0.00 124 L 8.27 3.97 0.00 1.81 1.66 0.95 0.63 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 0.00 125 K 8.14 3.83 0.00 1.82 1.90 0.00 1.63 0.00 0.00 1.42 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.53 7.81 126 M 7.75 4.03 0.00 2.32 2.12 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 2.72 2.52 0.00 127 K 8.39 3.95 0.00 1.90 1.82 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.42 7.81 128 G 7.64 2.40 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 0.00 129 D 7.73 4.23 0.00 2.70 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 7.80 3.60 0.00 3.03 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 0.00 131 Y 7.85 4.15 0.00 2.94 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.94 4.05 0.00 2.07 1.87 0.00 3.25 0.00 0.00 3.52 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 133 Y 7.24 4.49 0.00 2.98 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 0.00 134 L 7.90 4.08 0.00 1.94 1.75 0.90 1.02 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 0.00 135 A 8.13 4.11 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 7.79 4.11 0.00 1.98 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 2.37 2.62 0.00 137 V 6.67 3.87 1.67 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 -0.90 0.00 0.00 0.74 0.00 0.00 138 A 7.75 4.29 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 0.00 139 S 7.90 4.69 0.00 3.98 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 0.00 140 G 8.44 3.92 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 0.00 0.00 0.00 141 E 8.62 4.06 0.00 1.99 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 0.00 2.29 1.92 0.00 142 K 8.02 4.20 0.00 1.92 1.96 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.50 1.07 7.81 143 K 7.81 3.94 0.00 1.74 1.91 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 144 N 7.70 4.30 0.00 3.10 2.86 0.00 0.00 7.11 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 7.76 4.08 0.00 3.88 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 0.00 146 V 7.57 3.46 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.11 0.00 0.00 147 V 8.08 3.74 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 1.14 0.00 0.00 0.97 0.00 0.00 148 E 8.29 3.93 0.00 2.14 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 2.34 2.45 0.00 149 A 7.73 3.63 0.24 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 0.00 150 S 7.88 3.64 0.00 3.85 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 0.00 151 E 7.88 3.49 0.00 2.35 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 2.55 2.73 0.00 152 A 8.10 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 7.80 3.77 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 0.00 154 Y 7.34 3.67 0.00 1.73 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 0.00 155 K 8.10 4.07 0.00 2.11 1.88 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.81 7.81 156 E 8.08 3.97 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 157 A 8.02 4.05 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 0.00 158 F 8.31 4.53 0.00 3.38 3.34 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 0.00 159 E 8.36 3.94 0.00 2.21 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 2.34 2.24 0.00 160 I 7.57 3.70 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.83 1.01 0.00 0.00 161 S 8.26 4.11 0.00 4.09 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 0.00 162 K 7.93 3.73 0.00 1.50 1.75 0.00 1.70 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 1.01 0.80 7.81 163 E 7.78 4.06 0.00 2.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 164 Q 8.09 4.41 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.63 0.00 0.00 0.00 0.00 0.00 2.03 1.38 0.00 165 M 7.95 4.86 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 166 Q 8.48 4.21 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 167 P 0.00 4.58 0.00 2.26 2.19 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 168 T 7.72 4.18 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 1.26 0.00 0.00 169 H 8.54 4.13 0.00 3.28 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 P 0.00 4.29 0.00 2.23 2.13 0.00 3.31 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 171 I 8.04 3.78 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.75 1.00 0.00 0.00 172 R 8.16 4.02 0.00 1.93 2.19 0.00 3.19 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 173 L 8.32 4.19 0.00 1.92 1.76 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 174 G 8.55 3.63 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 0.00 0.00 0.00 175 L 8.53 3.97 0.00 1.85 2.07 0.94 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 0.00 176 A 8.34 3.81 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 L 8.18 3.93 0.00 1.90 1.94 0.88 0.99 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 0.00 178 N 8.24 4.43 0.00 2.83 2.84 0.00 0.00 6.73 7.47 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 0.00 179 F 8.02 3.35 0.00 2.41 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 S 8.27 4.26 0.00 4.60 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 0.00 181 V 7.93 3.86 2.36 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 1.22 0.00 0.00 1.24 0.00 0.00 182 F 8.33 4.12 0.00 3.04 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 0.00 183 Y 7.87 3.96 0.00 2.92 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 0.00 184 Y 7.85 3.43 0.00 1.85 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 E 8.16 4.07 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 186 I 7.31 3.78 1.37 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 0.98 0.77 0.00 0.00 187 Q 7.45 4.01 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.66 0.00 0.00 0.00 0.00 0.00 1.59 2.35 0.00 188 N 7.92 3.96 0.00 2.65 2.65 0.00 0.00 7.00 7.35 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 0.00 189 A 7.46 4.56 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 0.00 190 P 0.00 4.24 0.00 2.28 2.22 0.00 3.53 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.84 0.00 191 E 8.03 3.93 0.00 1.99 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 2.32 1.94 0.00 192 Q 7.85 3.90 0.00 1.79 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 1.16 1.78 0.00 193 A 7.76 4.07 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 0.00 194 C 8.34 4.36 0.00 3.06 3.07 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 0.00 195 L 7.66 4.05 0.00 1.61 1.68 0.92 0.93 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 0.00 196 L 7.70 4.24 0.00 1.68 1.87 1.01 1.28 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 0.00 197 A 8.08 4.11 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 0.00 198 K 8.99 3.95 0.00 1.98 1.85 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.39 7.81 199 Q 9.01 4.00 0.00 2.42 2.36 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 2.44 2.72 0.00 200 A 8.32 4.26 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 0.00 201 F 8.36 4.05 0.00 3.30 3.19 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 0.00 0.00 0.00 202 D 8.91 4.53 0.00 2.98 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 0.00 203 D 8.53 4.37 0.00 2.68 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 0.00 204 A 7.83 4.10 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 0.00 205 I 7.60 3.47 1.88 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 0.79 0.47 0.88 0.00 0.00 206 A 7.91 4.15 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 0.00 207 E 7.78 4.71 0.00 2.06 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 0.00 2.21 2.11 0.00 208 L 7.82 4.05 0.00 1.67 1.68 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 209 D 8.08 4.65 0.00 2.78 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 0.00 210 T 7.37 4.27 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 0.00 211 L 7.53 4.30 0.00 1.90 1.62 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 212 N 8.54 4.52 0.00 2.86 2.71 0.00 0.00 6.68 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 0.00 213 E 9.19 3.84 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 214 D 8.20 4.58 0.00 2.73 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 0.00 215 S 8.30 4.94 0.00 3.92 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *216 Y 8.21 4.10 0.00 2.34 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 0.00 217 K 7.92 4.22 0.00 1.75 1.84 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.10 7.81 218 D 7.96 4.56 0.00 2.69 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 0.00 219 S 8.11 4.31 0.00 3.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 T 7.88 3.91 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 221 L 7.73 3.92 0.00 1.98 1.90 0.93 1.41 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 0.00 222 I 7.81 3.81 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.80 0.95 0.00 0.00 223 M 8.17 4.15 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.42 0.00 224 Q 8.44 4.03 0.00 2.23 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 225 L 7.70 4.35 0.00 1.90 1.65 0.93 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 226 L 8.10 3.93 0.00 2.06 1.79 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 227 R 8.01 3.63 0.00 1.83 1.94 0.00 3.28 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 228 D 7.96 4.37 0.00 2.66 2.57 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 0.00 229 N 7.50 3.30 0.00 2.25 1.42 0.00 0.00 7.13 6.76 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 0.00 230 L 7.49 3.88 0.00 1.67 1.57 0.73 0.68 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 7.85 3.77 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 1.20 0.00 0.00 232 L 7.77 3.91 0.00 1.47 1.62 0.92 0.98 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 0.00 233 W 7.96 4.44 0.00 3.26 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 0.00 234 T 7.93 4.32 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 235 S 8.16 4.48 0.00 4.03 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 0.00 236 D 8.82 4.61 0.00 2.81 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 * Residues marked with a * may have inaccurate shift predictions.