NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5172 8.2893 118.2071 54.7499 32.8296 175.5732 2 D 4.4803 8.3396 119.9994 53.0419 41.1404 175.5306 3 Y 4.5482 9.8620 120.9084 61.5756 38.1237 180.6579 4 F 4.2949 8.4185 117.9756 61.0761 39.1350 177.5541 5 T 4.0148 9.4565 115.9210 66.7622 68.0571 176.2674 6 L 4.0977 8.1962 121.0850 57.4389 42.0086 178.0080 7 F 4.7699 7.9991 115.1819 56.4005 40.2079 175.5082 8 G 4.1546 8.4534 105.3683 46.8059 0.0000 174.1340 9 L 4.9633 8.2415 117.5239 51.5721 45.0897 175.1492 10 P 4.5236 0.0000 0.0000 62.4494 32.5017 177.0254 11 A 3.1015 7.9619 123.1080 50.5519 16.8095 176.8739 12 R 4.6504 6.6165 119.0501 53.4394 34.5483 175.7904 13 Y 4.0644 8.7883 122.0146 60.8513 39.0279 176.4663 14 Q 4.1728 8.1623 120.1959 55.6255 28.6367 175.2125 15 L 4.7099 7.9589 122.0526 53.1531 43.8877 176.2681 16 D 4.6406 8.4126 118.4323 53.1813 41.3785 176.5227 17 T 3.9517 8.5479 121.6876 65.1574 68.5075 176.8612 18 Q 4.0087 8.7535 124.0478 60.3477 28.2551 182.8737 19 A 4.2645 8.3527 122.6411 54.5232 18.4572 179.1834 20 L 4.0868 8.2996 119.7907 58.5514 42.1558 179.4671 21 S 4.3407 8.2060 113.7634 61.4949 62.8743 176.3943 22 L 3.9980 7.8308 122.7673 57.6348 41.3834 179.7337 23 R 3.9058 8.3211 118.0669 59.2671 29.9606 178.9420 24 F 4.3573 8.6578 122.9486 61.7962 39.2975 177.9459 25 Q 3.5829 8.4631 123.3938 60.5491 27.9211 181.5779 26 D 4.4113 8.1222 123.5078 58.3153 39.7252 180.3122 27 L 4.1088 8.1331 122.2089 58.2163 41.5962 180.1825 28 Q 3.9152 7.6890 122.1409 60.7571 28.0788 181.0819 29 R 4.3692 7.4183 121.8369 60.2864 29.5113 179.6213 30 Q 4.3777 7.7522 125.0078 54.2711 29.8689 175.7585 *45 L 4.2482 8.7346 126.4428 53.8399 42.4722 175.4701 46 A 4.1010 8.9654 122.1226 55.5502 18.9604 179.7094 47 A 4.0600 8.0215 120.6422 55.7115 18.9020 180.3292 48 V 3.7641 7.7504 120.5261 66.8173 31.7692 182.4716 49 Q 4.2678 8.2546 121.0923 60.3365 27.7240 181.1313 50 Q 4.3198 8.0881 123.1008 59.4917 28.5639 179.2223 51 S 4.1580 8.1191 119.9097 63.2572 62.4591 180.3222 52 A 4.3370 7.9647 124.3566 55.2018 18.1550 179.7400 53 T 3.9156 7.8441 114.2250 66.7902 68.4885 176.9869 54 I 3.8597 7.6160 121.7493 64.2404 37.0590 178.2374 55 N 4.4930 8.0513 118.7005 57.1427 38.4326 177.7867 56 Q 3.8983 7.9643 121.7027 60.3654 28.0179 180.9977 57 A 2.5800 7.4245 122.5224 53.9755 18.2536 179.5617 58 W 3.6278 7.8331 126.6902 60.5936 30.5870 178.1223 59 Q 3.2669 8.1197 118.2734 59.1654 27.8780 179.1818 60 T 3.7256 7.4244 115.6306 66.4436 68.4931 176.4917 61 L 3.9194 7.3932 120.3441 57.1986 41.7382 179.2153 62 R 3.8644 7.8594 116.2617 57.9274 29.4816 176.5157 63 H 4.3304 7.3976 120.5147 54.3181 30.3868 173.3876 64 P 4.3633 0.0000 0.0000 66.1992 31.1754 178.4273 65 L 4.2528 8.2877 116.7777 57.8840 41.7490 179.1702 66 M 4.3522 7.9475 119.6254 57.6595 31.8657 178.5600 67 R 3.9814 8.5235 119.1432 59.4800 30.3600 178.3982 68 A 4.3415 8.1541 120.6482 55.4702 18.0306 179.4880 69 E 3.9845 8.5477 117.1483 59.5278 29.6337 179.0163 70 Y 4.1609 8.4995 120.0299 60.6883 39.1284 177.5414 71 L 3.9532 8.5386 121.6955 58.3125 42.1206 178.9369 72 L 3.7668 7.8543 118.8342 57.7701 41.5905 179.6818 73 S 4.2843 7.7796 115.1132 60.9094 62.5874 176.5570 74 L 3.8342 7.3131 121.1394 56.9526 41.2450 178.0161 75 H 4.5267 7.0941 113.2102 55.0472 28.8060 175.9779 76 G 3.7196 7.9269 108.7580 45.3528 0.0000 173.6166 77 F 4.4704 8.3191 119.6383 55.6039 39.5598 174.3504 78 D 4.7272 8.4504 126.0067 52.7740 42.1475 177.1801 79 L 4.0355 8.6576 126.5439 57.8032 41.8698 178.2961 80 A 4.1780 8.2339 119.8686 53.8621 18.8042 177.7298 81 S 4.3716 7.7659 112.0490 57.6230 63.8152 175.5140 82 E 4.5108 8.8278 122.6401 59.2368 29.5517 179.5431 83 Q 3.9788 8.0811 117.1247 57.4334 28.1816 181.6506 84 H 5.8578 7.7165 110.8700 55.6961 29.5053 174.7140 85 T 4.0444 7.9209 117.6725 63.4006 68.7864 173.8826 86 V 4.0005 8.3928 124.5310 63.1563 31.7511 175.9687 87 R 4.4850 8.4890 124.5280 55.8494 31.1912 176.5751 88 D 4.5937 7.7605 118.9330 53.3747 40.4415 176.1244 89 T 3.8432 8.3885 123.3243 66.4710 68.7015 175.7132 90 A 3.9733 8.0680 121.9340 55.0294 18.4242 179.2492 91 F 3.9989 8.7156 119.0899 61.4721 39.6059 177.3033 92 L 3.5965 7.9213 118.5368 57.9442 41.4171 179.2195 93 M 3.9448 8.2153 118.3571 58.6634 32.0587 177.9194 94 E 4.0682 8.1397 119.4157 59.1790 29.7416 178.7964 95 Q 3.8045 7.5906 118.3229 58.7063 28.7333 178.6993 96 L 3.9650 7.7202 119.9340 57.8246 41.6877 179.3891 97 E 3.9885 8.1392 118.5600 59.3733 29.2900 179.4327 98 L 4.2129 8.2122 119.2432 58.0062 41.8385 179.8345 99 R 3.9702 8.1576 117.9867 59.1131 30.0470 179.0348 100 E 3.9754 8.0818 118.6093 59.2504 29.4510 178.8400 101 E 3.9167 8.2171 119.4565 59.1150 29.6102 178.6023 102 L 3.2716 7.8377 120.6108 57.9559 42.0591 178.7360 103 D 4.2656 7.8711 118.4247 57.3175 40.8250 178.6017 104 E 3.9497 7.9959 118.7132 59.4823 29.3610 179.4793 105 I 3.6720 7.7759 119.8961 64.2030 37.1401 178.1097 106 E 3.9745 8.2202 120.3765 59.2652 29.2367 178.8316 107 Q 3.9471 7.8772 116.7456 58.9931 28.9783 178.4312 108 A 4.1404 7.7847 118.5971 52.2452 18.4862 177.4002 109 K 3.6770 7.5607 115.1160 56.8720 30.6428 175.6460 110 D 4.5120 7.5451 117.3078 53.7685 41.0720 175.7930 111 E 3.9689 8.7001 127.9254 59.1797 29.6350 179.0760 112 A 3.9865 8.0026 120.2957 55.4103 18.5507 179.8072 113 R 3.9399 9.0405 116.9272 59.0722 29.9807 179.1394 114 L 3.9480 8.0913 120.2787 58.2165 42.2672 178.5095 115 E 3.9316 8.4365 119.5180 59.5657 29.5723 178.8090 116 S 4.1752 8.1834 113.0302 61.0405 62.4190 175.9119 117 F 4.0960 8.4589 123.7246 61.2587 39.0866 177.1815 118 I 3.7249 8.2426 119.7114 64.3397 36.8957 178.4723 119 K 3.8935 7.9535 119.0714 59.4609 31.9027 179.2850 120 R 3.8024 7.7900 118.6783 59.4447 29.9071 178.7943 121 V 3.4930 7.4704 117.9830 65.9128 31.4415 178.1869 122 K 3.9713 8.2779 118.5059 59.1533 31.7996 179.3217 123 K 3.9902 8.1661 120.1619 59.7698 32.1418 178.8398 124 M 4.1018 8.1505 119.0414 58.2113 31.7645 178.5451 125 F 4.0011 8.5644 120.9718 61.4920 39.6765 176.9097 126 D 4.5326 8.7359 118.9220 57.7034 40.1820 178.9258 127 T 3.8725 8.0879 116.1618 66.9272 68.5491 176.9667 128 R 3.9136 7.9530 119.6619 59.0004 30.0080 178.6319 129 H 3.9370 8.2700 119.1250 59.0813 29.8760 177.2950 130 Q 3.9452 8.1774 119.5798 59.1454 28.3519 178.3616 131 L 3.8532 7.5335 121.7483 58.0752 42.0434 178.6314 132 M 4.0500 7.8316 118.2100 58.3954 32.0833 178.3912 133 V 3.2535 7.7191 120.9750 66.5542 31.5865 178.5798 134 E 3.9383 8.0809 117.9928 61.1359 29.6068 180.9101 135 Q 4.0506 7.9457 118.2973 58.5890 28.7184 178.6933 136 L 3.8320 7.9417 120.4059 57.8375 41.5124 179.2476 137 D 4.3407 7.8906 117.5341 57.0759 40.8436 177.0923 138 N 4.3490 7.5349 113.9793 52.9377 38.7850 175.0062 139 E 2.0000 6.9755 116.6272 57.1997 27.9757 176.1855 140 T 3.8505 6.6807 113.5369 59.7301 63.6973 173.9682 141 W 4.3771 6.5861 128.8053 60.5322 29.4749 178.1821 142 D 4.5334 7.8506 119.7694 58.5766 39.2280 180.2133 143 A 4.0924 7.8443 121.6635 54.8904 18.3952 179.3393 144 A 4.3601 8.1886 120.3596 54.6431 18.4014 179.7744 145 A 3.8558 8.1896 119.4286 55.5149 18.4036 179.6355 146 D 4.3675 8.0307 117.3605 57.8078 40.9091 179.2504 147 T 3.7771 7.9263 116.4153 66.4182 68.5631 176.5505 148 C 4.0731 8.2739 121.1460 62.4023 31.3893 175.7824 149 R 3.9496 8.0398 119.7877 59.1810 29.6176 179.2138 150 K 4.1854 7.5821 117.8226 59.4425 31.9443 179.4408 151 L 4.0061 7.7353 118.9431 57.7010 41.5175 179.8684 152 R 4.0021 7.9975 118.0529 59.0828 29.9395 179.0314 153 F 4.2161 7.9463 116.1944 60.7233 38.9681 177.6464 154 L 4.1983 8.3545 118.6219 57.8824 41.3649 179.1389 155 D 4.3592 8.6255 117.9837 57.5242 41.2339 178.6137 156 K 4.0295 8.1009 118.6607 59.1948 32.0148 179.2354 157 L 4.0424 8.1247 120.8932 58.0766 42.0023 178.9684 158 R 3.9276 8.2916 118.8712 59.4658 30.0517 178.3481 159 S 4.0518 8.2831 113.0641 61.4025 62.4086 176.0436 160 S 4.0818 8.3148 115.5648 61.4734 62.1941 176.0324 161 A 4.0518 8.1607 123.3955 55.3044 18.0773 179.4859 162 E 4.0338 8.5375 117.1608 59.3750 29.3675 179.5621 163 Q 3.9784 8.2294 118.4850 58.6548 28.7348 178.3438 164 L 3.9360 7.8989 121.4087 58.1184 42.0720 178.6293 165 E 3.9252 8.2583 119.3168 59.1903 29.3259 178.2399 166 E 3.8741 8.1620 118.6268 59.1274 29.7951 178.5506 167 K 4.0845 7.8416 119.3733 59.6416 32.1342 178.8636 168 L 4.0664 7.6835 117.8495 57.5367 41.6341 178.7180 169 L 4.3146 7.9683 116.3591 55.5043 41.8690 178.1372 170 D 4.2422 7.6667 119.7360 56.4212 40.7555 176.2734 171 F 4.4487 7.7988 121.1927 57.5665 39.8797 174.5810 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.52 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 2 D 8.34 4.48 0.00 3.26 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 3 Y 9.86 4.55 0.00 2.45 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.42 4.29 0.00 3.44 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 5 T 9.46 4.01 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 6 L 8.20 4.10 0.00 1.97 2.32 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.00 4.77 0.00 3.08 3.14 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 8 G 8.45 4.15 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 0.00 9 L 8.24 4.96 0.00 2.00 1.74 1.08 1.17 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 10 P 0.00 4.52 0.00 2.16 2.08 0.00 3.84 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 2.00 1.99 0.00 11 A 7.96 3.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 6.62 4.65 0.00 1.72 1.80 0.00 3.39 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 1.45 1.50 0.00 13 Y 8.79 4.06 0.00 3.03 3.06 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 0.00 0.00 0.00 14 Q 8.16 4.17 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 15 L 7.96 4.71 0.00 1.73 1.64 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.41 4.64 0.00 2.80 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 17 T 8.55 3.95 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 1.17 0.00 0.00 18 Q 8.75 4.01 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 19 A 8.35 4.26 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 20 L 8.30 4.09 0.00 1.94 1.92 0.71 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.21 4.34 0.00 4.26 4.34 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 22 L 7.83 4.00 0.00 1.93 1.78 1.05 0.92 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 23 R 8.32 3.91 0.00 2.23 2.03 0.00 3.30 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 24 F 8.66 4.36 0.00 3.21 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 25 Q 8.46 3.58 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 26 D 8.12 4.41 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.13 4.11 0.00 1.32 1.57 0.21 0.74 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 28 Q 7.69 3.92 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 29 R 7.42 4.37 0.00 1.92 1.90 0.00 3.23 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 1.59 1.54 0.00 30 Q 7.75 4.38 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.27 0.00 *45 L 8.73 4.25 0.00 1.62 1.49 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.97 4.10 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.02 4.06 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 48 V 7.75 3.76 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 0.80 0.00 0.00 0.93 0.00 0.00 49 Q 8.25 4.27 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 50 Q 8.09 4.32 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 51 S 8.12 4.16 0.00 3.79 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.96 4.34 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 53 T 7.84 3.92 4.44 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 1.33 0.00 0.00 54 I 7.62 3.86 2.14 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.17 1.11 0.00 0.00 55 N 8.05 4.49 0.00 3.05 2.97 0.00 0.00 7.06 7.62 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 56 Q 7.96 3.90 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 57 A 7.42 2.58 1.08 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 0.00 0.00 58 W 7.83 3.63 0.00 2.82 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 59 Q 8.12 3.27 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.07 2.45 0.00 60 T 7.42 3.73 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 1.00 0.00 0.00 61 L 7.39 3.92 0.00 1.12 1.32 0.21 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.86 3.86 0.00 1.36 1.12 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.15 0.00 63 H 7.40 4.33 0.00 2.97 3.09 0.00 5.62 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.36 0.00 2.35 2.34 0.00 3.39 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 2.10 2.21 0.00 65 L 8.29 4.25 0.00 1.78 1.78 1.14 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 66 M 7.95 4.35 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 67 R 8.52 3.98 0.00 2.00 2.15 0.00 2.21 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.63 0.00 68 A 8.15 4.34 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 69 E 8.55 3.98 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 70 Y 8.50 4.16 0.00 3.12 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 71 L 8.54 3.95 0.00 2.18 1.97 0.76 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.85 3.77 0.00 1.94 1.85 0.92 0.90 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 73 S 7.78 4.28 0.00 4.01 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.31 3.83 0.00 1.54 1.50 0.76 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 75 H 7.09 4.53 0.00 2.44 2.76 0.00 5.88 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 76 G 7.93 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 0.00 0.00 0.00 77 F 8.32 4.47 0.00 3.19 3.05 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 0.00 0.00 0.00 78 D 8.45 4.73 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.66 4.04 0.00 1.70 1.74 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.23 4.18 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.77 4.37 0.00 3.99 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 82 E 8.83 4.51 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 83 Q 8.08 3.98 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.31 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 84 H 7.72 5.86 0.00 3.19 3.37 0.00 5.59 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.92 4.04 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 1.28 0.00 0.00 86 V 8.39 4.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.16 0.00 0.00 87 R 8.49 4.48 0.00 1.81 1.91 0.00 3.27 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 88 D 7.76 4.59 0.00 2.70 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 89 T 8.39 3.84 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 90 A 8.07 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.72 4.00 0.00 3.15 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.92 3.60 0.00 1.82 1.57 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 93 M 8.22 3.94 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.57 0.00 94 E 8.14 4.07 0.00 2.13 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 2.21 2.29 0.00 95 Q 7.59 3.80 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 1.45 1.85 0.00 96 L 7.72 3.97 0.00 1.85 1.68 0.88 0.90 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 97 E 8.14 3.99 0.00 2.15 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 2.31 2.53 0.00 98 L 8.21 4.21 0.00 1.95 1.96 0.83 1.12 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 99 R 8.16 3.97 0.00 2.04 1.99 0.00 3.14 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 100 E 8.08 3.98 0.00 2.22 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 2.32 2.51 0.00 101 E 8.22 3.92 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 102 L 7.84 3.27 0.00 1.22 1.62 0.44 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 103 D 7.87 4.27 0.00 2.88 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 0.00 104 E 8.00 3.95 0.00 2.25 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 2.33 2.22 0.00 105 I 7.78 3.67 1.80 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.17 0.86 0.00 0.00 106 E 8.22 3.97 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 107 Q 7.88 3.95 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 108 A 7.78 4.14 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 0.00 109 K 7.56 3.68 0.00 1.91 1.88 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.49 7.81 110 D 7.55 4.51 0.00 2.75 2.58 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 0.00 111 E 8.70 3.97 0.00 2.06 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 2.41 2.39 0.00 112 A 8.00 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 0.00 113 R 9.04 3.94 0.00 1.96 2.01 0.00 3.16 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.00 0.00 114 L 8.09 3.95 0.00 1.95 1.77 0.94 0.81 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 0.00 115 E 8.44 3.93 0.00 2.19 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 2.33 2.34 0.00 116 S 8.18 4.18 0.00 4.08 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 0.00 117 F 8.46 4.10 0.00 3.29 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.24 3.72 2.07 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 1.64 0.80 0.92 0.00 0.00 119 K 7.95 3.89 0.00 1.97 1.85 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.76 7.81 120 R 7.79 3.80 0.00 1.97 1.79 0.00 2.96 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 121 V 7.47 3.49 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 1.06 0.00 0.00 0.42 0.00 0.00 122 K 8.28 3.97 0.00 1.96 1.82 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.64 7.81 123 K 8.17 3.99 0.00 1.94 1.98 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.63 7.81 124 M 8.15 4.10 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.55 0.00 125 F 8.56 4.00 0.00 3.20 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.74 4.53 0.00 2.78 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 0.00 127 T 8.09 3.87 4.40 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 1.20 0.00 0.00 128 R 7.95 3.91 0.00 1.73 1.80 0.00 3.16 0.00 0.00 2.93 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 129 H 8.27 3.94 0.00 2.95 3.41 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 8.18 3.95 0.00 2.40 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 131 L 7.53 3.85 0.00 1.71 1.79 0.83 0.73 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 0.00 132 M 7.83 4.05 0.00 1.95 1.82 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.21 0.00 133 V 7.72 3.25 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 0.93 0.00 0.00 0.74 0.00 0.00 134 E 8.08 3.94 0.00 2.03 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 2.24 2.22 0.00 135 Q 7.95 4.05 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.57 0.00 136 L 7.94 3.83 0.00 1.71 1.81 0.58 1.47 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 0.00 137 D 7.89 4.34 0.00 2.59 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 0.00 138 N 7.53 4.35 0.00 2.46 2.65 0.00 0.00 7.05 8.84 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 0.00 139 E 6.98 2.00 0.00 1.71 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 1.97 1.98 0.00 140 T 6.68 3.85 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 1.01 0.00 0.00 141 W 6.59 4.38 0.00 1.78 1.81 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 0.00 142 D 7.85 4.53 0.00 2.68 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 0.00 143 A 7.84 4.09 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 0.00 144 A 8.19 4.36 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 0.00 145 A 8.19 3.86 1.19 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 0.00 0.00 146 D 8.03 4.37 0.00 2.82 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 0.00 147 T 7.93 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 1.05 0.00 0.00 148 C 8.27 4.07 0.00 3.06 3.03 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 0.00 149 R 8.04 3.95 0.00 2.07 2.06 0.00 3.34 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.12 0.00 150 K 7.58 4.19 0.00 1.79 1.12 0.00 1.25 0.00 0.00 0.65 0.00 0.00 2.76 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.38 1.29 7.81 151 L 7.74 4.01 0.00 1.82 1.52 0.67 0.07 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 0.00 152 R 8.00 4.00 0.00 1.92 1.79 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 1.77 1.75 0.00 153 F 7.95 4.22 0.00 3.73 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.35 4.20 0.00 2.19 2.07 1.12 1.11 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 0.00 155 D 8.63 4.36 0.00 3.19 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.10 4.03 0.00 1.96 1.89 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.61 7.81 157 L 8.12 4.04 0.00 1.90 1.93 1.10 1.01 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 0.00 158 R 8.29 3.93 0.00 1.97 2.06 0.00 3.32 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 159 S 8.28 4.05 0.00 3.98 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 0.00 160 S 8.31 4.08 0.00 3.97 4.06 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 0.00 0.00 0.00 161 A 8.16 4.05 1.58 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 0.00 0.00 0.00 162 E 8.54 4.03 0.00 2.02 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 2.33 2.54 0.00 163 Q 8.23 3.98 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 164 L 7.90 3.94 0.00 1.77 1.84 0.91 0.81 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 0.00 165 E 8.26 3.93 0.00 2.20 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 2.31 2.33 0.00 166 E 8.16 3.87 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 167 K 7.84 4.08 0.00 1.82 1.97 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.51 7.81 168 L 7.68 4.07 0.00 1.82 1.73 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.97 4.31 0.00 1.57 1.68 0.91 1.30 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 0.00 170 D 7.67 4.24 0.00 2.64 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 0.00 0.00 0.00 171 F 7.80 4.45 0.00 3.02 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 * Residues marked with a * may have inaccurate shift predictions.