NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1224 8.2531 123.5793 50.6183 20.7558 177.3273 2 G 3.6631 8.0272 103.5764 42.9527 0.0000 167.6768 3 V 3.8433 8.4500 118.9847 62.6974 33.0408 174.7559 4 A 4.1186 7.9478 122.9744 52.1579 19.0015 176.5199 5 E 4.6981 8.4286 120.3480 54.4323 32.9429 175.0112 6 F 5.4071 8.7202 121.8698 55.5105 42.5566 174.9868 7 N 4.7839 9.0284 120.2861 51.8572 38.5089 175.5935 8 D 4.3684 8.7907 117.9401 57.3833 40.7512 178.0621 9 K 4.2528 8.2374 115.1039 56.7719 32.8515 177.4098 10 G 3.9952 8.5532 107.9575 45.5840 0.0000 173.7257 11 E 4.5992 8.3627 119.7816 55.8926 31.0639 175.8340 12 L 4.2352 8.8470 126.2121 54.5399 43.0701 176.1785 13 L 4.6326 8.5220 127.2727 54.1525 42.5921 176.8119 14 L 2.6820 8.2671 121.9060 54.3758 41.8625 176.0021 15 P 4.2747 0.0000 0.0000 62.5644 31.6381 175.7101 16 K 4.3289 8.4401 120.3044 56.0682 33.8467 176.5152 17 N 3.9792 8.4102 119.1929 54.1299 36.2802 175.9462 18 Y 2.0000 6.0340 118.2266 58.6289 37.9309 177.9839 19 R 2.9684 6.2041 118.1800 57.8317 30.2356 176.8090 20 E 4.2708 7.4441 116.1573 56.3674 29.7309 176.6697 21 W 4.6750 7.6282 119.8361 55.9936 30.6839 174.9684 22 V 4.0583 8.3785 119.6307 62.4764 31.9126 175.1092 23 M 4.3964 8.7365 128.8046 55.6126 32.1449 175.9048 24 V 4.1896 8.6571 119.2014 61.7653 34.3455 175.7290 25 G 4.2434 7.0354 104.7367 45.7359 0.0000 172.2988 26 T 5.2091 8.6297 115.3285 60.1596 70.3888 172.8876 27 Q 4.7999 9.2301 126.4147 54.0498 33.2281 174.4015 28 V 4.8769 8.1335 119.9667 61.3703 34.4191 174.4490 29 T 4.4658 8.7567 118.7408 59.4731 70.8525 172.3066 30 P 4.4282 0.0000 0.0000 62.5525 30.0970 175.4405 *41 T 4.3852 8.2584 123.3186 63.4830 70.8668 173.7995 42 E 4.8333 7.9392 120.2018 54.5663 33.6791 174.0456 43 I 4.9852 8.6309 126.1392 59.6051 40.4301 174.7178 44 R 5.0913 9.0451 124.5972 54.6138 33.6874 174.2688 45 T 4.7016 8.9686 118.4558 60.1099 70.2814 172.7222 46 V 4.7484 8.2055 128.1997 61.2432 34.1898 173.7162 47 Y 5.3710 9.2025 125.3645 56.2292 41.5609 174.6975 48 V 5.1073 8.8800 122.7689 60.7220 34.6857 174.6412 49 D 3.3700 8.3926 127.2318 52.5888 39.7882 175.6812 50 P 4.2671 0.0000 0.0000 65.9352 31.3694 178.6576 51 E 3.9480 8.0228 117.4908 59.4221 29.7303 178.8915 52 S 4.2477 8.3721 115.3307 61.5886 62.7693 176.0187 53 Y 4.2117 8.4578 122.3493 60.6395 38.4476 177.8508 54 A 3.9240 8.4511 122.0271 55.5074 18.4995 179.0348 55 H 4.0046 8.4230 116.6616 59.0847 29.9131 177.0625 56 W 4.0786 8.4875 130.4034 60.5481 30.2401 177.7952 57 K 3.7070 7.8261 117.1754 59.6313 31.5496 178.9903 58 K 4.1041 7.4185 117.5702 58.2507 32.1894 177.9047 59 T 4.1947 7.1566 106.0928 59.6758 70.1615 174.6353 60 G 2.4707 7.8340 109.5405 45.5411 0.0000 173.0131 61 E 4.5813 7.2662 117.0583 53.8972 32.7639 175.8228 62 F 4.9261 8.7897 120.6034 56.2692 39.5566 176.3900 63 R 4.0651 8.6606 122.6414 55.4739 29.9516 175.5439 64 D 4.3421 8.4356 118.8415 56.3032 41.3145 176.8088 65 G 3.9901 9.0147 115.5136 44.8189 0.0000 173.6268 66 T 4.3775 7.5748 116.9830 63.6265 69.8918 173.0690 67 V 5.0839 8.9752 125.9028 61.3074 34.3832 174.2903 68 T 5.3866 9.0674 117.6795 60.0521 72.0365 173.2242 69 V 4.8337 8.9882 122.6803 61.0603 35.2046 173.8907 70 K 5.0273 9.1933 129.2650 54.7280 34.5844 173.9362 71 E 5.0574 9.3803 129.6214 54.6301 31.8046 174.2682 72 L 5.0983 8.7469 127.3427 53.4694 43.8515 176.0602 73 V 4.9941 8.7548 116.5589 59.3073 36.2487 175.6257 74 S 4.7455 8.8701 118.9333 58.2073 64.9846 172.5909 75 V 4.5163 8.0371 119.7332 61.0325 32.9821 175.2450 76 G 3.0463 8.3873 115.4234 45.1798 0.0000 171.8718 77 D 5.3751 8.3659 120.9192 52.2883 43.0397 175.6402 78 R 4.7164 9.0359 124.2756 54.4374 32.5968 174.9855 79 K 4.6762 8.4628 125.1029 55.2980 34.2879 177.4177 80 G 3.9238 8.6857 115.4374 44.0592 0.0000 171.2862 81 P 4.4625 0.0000 0.0000 63.1952 31.2060 175.7157 *85 N 4.5268 8.0703 114.9147 54.0246 39.7125 173.8964 86 G 3.7948 7.5306 107.2050 46.5180 0.0000 171.2645 87 Y 5.4413 8.5010 116.5663 56.2242 41.3131 175.2464 88 F 5.0714 8.5332 115.7198 55.4178 42.3569 173.3464 89 M 4.3602 8.9282 119.5191 55.1533 32.2258 175.3822 90 G 4.0578 8.9355 113.4853 46.4653 0.0000 176.6037 91 D 4.7961 7.8686 125.2646 53.0548 42.5219 174.4337 92 Y 4.7563 8.4184 120.8814 58.3177 38.1526 175.6220 93 I 4.6668 8.7288 116.4171 59.9555 39.1797 175.2014 94 G 3.1439 7.4081 108.1115 45.8245 0.0000 172.5144 95 L 4.9819 8.1313 122.8116 53.9604 45.8364 174.2999 96 E 5.4712 9.5382 125.4128 54.8329 33.7535 174.6052 97 A 5.3943 8.8851 121.7663 50.9241 23.5320 175.2856 98 S 5.0753 9.2649 112.9194 56.7239 67.0803 173.2907 99 V 5.0656 8.9620 121.1441 61.3018 35.0813 173.7219 100 K 4.2634 8.5196 129.5377 54.8351 33.7953 174.9515 101 D 4.8560 9.1087 128.1408 53.4630 42.9147 175.9087 102 S 4.0913 9.9887 123.3745 61.0586 63.2848 176.6316 103 Q 4.0108 7.9168 119.1855 58.2169 29.1208 177.0309 104 R 3.6679 8.2757 117.5767 58.3721 30.4075 177.0726 105 F 5.1147 7.7053 116.8141 56.2723 39.6199 177.1380 106 A 4.2857 8.5047 124.6959 54.0009 18.3699 178.8292 107 N 4.9043 8.1927 110.3107 52.5699 37.9064 174.1566 108 E 4.7420 7.9980 119.1050 53.8033 31.9898 173.7388 109 P 4.4296 0.0000 0.0000 64.4032 31.5641 176.7356 110 G 4.1138 9.6393 108.8822 45.7005 0.0000 172.6684 111 N 4.5887 8.4130 115.2683 54.0656 36.6495 173.2548 112 W 5.1455 8.1499 116.4101 54.9239 31.2403 175.6353 113 A 4.4838 8.6036 126.0096 49.9781 21.2940 175.3781 114 F 5.0968 8.1250 118.1526 55.9857 42.9225 174.0360 115 Y 5.0353 8.8553 118.2079 56.5603 42.7704 173.9664 116 I 4.6638 8.2127 122.7857 59.9086 39.3143 175.5056 117 F 4.5717 9.4371 126.8368 60.1671 40.2622 175.2720 118 Y 5.1927 7.8850 113.4410 56.7367 40.9926 173.5755 119 V 4.7084 8.2057 111.7933 58.9542 37.0848 172.4630 120 P 4.3521 0.0000 0.0000 63.4348 31.4932 174.9449 121 D 4.4906 8.3054 124.9660 54.3027 40.1392 174.3643 122 T 4.4964 8.6127 112.1981 58.6306 70.3237 174.0624 123 P 4.4030 0.0000 0.0000 62.0766 31.8956 175.7513 124 L 4.3488 8.3459 121.5757 55.5443 42.5068 176.5145 125 V 4.6076 8.1148 118.5937 59.5462 33.7310 176.0944 126 A 4.3168 8.7714 124.7791 54.3548 19.5696 177.2533 127 A 5.3867 8.0417 115.1175 50.3386 22.4519 175.4764 128 A 4.7308 8.9674 122.7660 49.8609 22.3173 175.2170 129 K 4.8704 8.6117 122.1701 54.9379 33.6991 176.1330 130 N 3.8773 8.9203 124.2602 53.2498 37.5617 174.3629 131 L 4.5982 8.2999 123.1202 52.7159 43.4490 174.9481 132 P 4.4358 0.0000 0.0000 63.1876 32.0594 177.4944 133 T 3.8195 8.6596 111.9307 64.9482 68.4792 176.5409 134 A 4.0819 7.8843 122.3712 54.8059 18.4414 178.6249 135 E 4.0680 7.8477 117.2879 58.9423 29.7788 176.2090 136 C 4.3033 7.5782 113.8262 60.1407 31.2568 175.7518 137 A 3.3956 7.4281 120.3203 54.8813 17.9131 179.3822 138 A 3.8562 8.2284 119.6879 55.5233 18.3790 179.3763 139 C 4.0456 7.9079 116.5568 62.9108 31.6235 175.2233 140 H 4.0019 7.8836 117.8589 58.8102 28.1432 177.9515 141 K 3.9796 8.1853 119.1130 59.5118 32.5948 178.5768 142 E 4.2001 7.9542 119.0558 58.2482 29.5620 177.1152 143 N 4.8909 7.7541 112.7307 52.7773 41.2407 174.9224 144 A 2.9720 7.4798 121.3123 51.0593 18.8498 177.5252 145 K 3.9062 8.2177 123.1751 59.0477 32.7340 177.0322 146 T 4.4275 7.4824 115.6508 62.3437 70.9166 173.3472 147 D 4.6179 9.7393 128.9174 55.7339 39.6206 173.8598 148 M 2.9643 8.1451 112.6314 55.4739 29.8681 176.9057 149 V 4.1818 7.2697 118.9624 60.9767 34.4656 176.2385 150 F 4.4795 8.5973 127.2078 57.0059 37.8939 176.9834 151 T 3.8862 7.4250 112.1360 63.9317 69.3589 176.8812 152 Q 3.8799 7.6423 119.4776 58.1739 28.4267 176.9113 153 F 5.0500 7.3194 115.4629 57.4357 39.5998 175.6667 154 Y 5.2265 7.8589 120.1867 54.1270 37.8658 174.3203 155 P 4.4672 0.0000 0.0000 65.0770 31.7485 178.6626 156 V 3.6893 7.9192 118.3364 66.1476 31.4897 177.7309 157 L 4.2259 8.0611 118.2444 57.6486 41.4891 179.2489 158 R 4.0414 8.0109 118.4331 59.6203 30.1485 178.4738 159 A 4.1240 8.2445 120.3181 55.0048 18.3477 179.4089 160 A 4.2955 8.2974 120.6464 54.6937 18.3140 179.8703 161 K 3.5606 8.6139 116.8874 59.6686 32.4372 178.7209 162 A 4.1872 8.4498 120.2804 54.3808 18.2714 177.9727 163 T 4.3774 7.9549 104.1953 60.3201 70.0463 175.3930 164 G 3.8243 8.2874 109.9549 46.1118 0.0000 173.2885 165 E 4.7180 7.5237 119.6412 54.8586 31.5259 176.5483 166 S 4.9378 8.9339 117.6525 56.4125 63.3715 174.2038 167 G 4.2622 7.5588 110.4393 45.0724 0.0000 172.7064 168 V 3.8011 7.9739 113.4668 61.1686 32.1360 176.2311 169 V 4.3984 8.0350 122.1960 60.7159 34.1753 175.2112 170 A 4.1927 8.5724 127.5689 52.5578 18.2720 177.2971 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 8.25 4.12 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 2 G 8.03 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.45 3.84 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 0.61 0.00 0.00 0.92 0.00 0.00 4 A 7.95 4.12 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.43 4.70 0.00 1.76 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 2.41 2.22 0.00 6 F 8.72 5.41 0.00 2.91 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 7 N 9.03 4.78 0.00 3.01 3.03 0.00 0.00 6.90 7.70 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 8 D 8.79 4.37 0.00 2.72 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.24 4.25 0.00 1.90 1.95 0.00 1.63 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.50 7.81 10 G 8.55 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.36 4.60 0.00 2.24 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 2.45 2.37 0.00 12 L 8.85 4.24 0.00 1.10 0.74 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.52 4.63 0.00 1.55 1.53 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.27 2.68 0.00 1.30 1.36 0.77 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.27 0.00 1.64 1.96 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.02 0.00 16 K 8.44 4.33 0.00 1.79 1.64 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.38 7.81 17 N 8.41 3.98 0.00 2.82 2.72 0.00 0.00 6.89 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 6.03 2.00 0.00 1.79 1.59 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 19 R 6.20 2.97 0.00 1.34 1.78 0.00 2.82 0.00 0.00 3.10 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.62 0.00 20 E 7.44 4.27 0.00 2.13 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 2.27 2.13 0.00 21 W 7.63 4.68 0.00 3.44 3.40 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 22 V 8.38 4.06 1.77 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 0.16 0.00 0.00 0.73 0.00 0.00 23 M 8.74 4.40 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.12 0.00 24 V 8.66 4.19 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 0.79 0.00 0.00 0.45 0.00 0.00 25 G 7.04 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 0.00 0.00 0.00 0.00 26 T 8.63 5.21 4.19 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 1.21 0.00 0.00 27 Q 9.23 4.80 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 28 V 8.13 4.88 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 0.80 0.00 0.00 0.91 0.00 0.00 29 T 8.76 4.47 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 1.10 0.00 0.00 30 P 0.00 4.43 0.00 2.02 2.05 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 *41 T 8.26 4.39 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 1.14 0.00 0.00 42 E 7.94 4.83 0.00 1.91 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.39 0.00 43 I 8.63 4.99 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.61 0.94 0.00 0.00 44 R 9.05 5.09 0.00 1.66 1.77 0.00 3.05 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 45 T 8.97 4.70 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 1.40 0.00 0.00 46 V 8.21 4.75 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 0.56 0.00 0.00 0.89 0.00 0.00 47 Y 9.20 5.37 0.00 3.14 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 48 V 8.88 5.11 2.23 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 1.22 0.00 0.00 1.02 0.00 0.00 49 D 8.39 3.37 0.00 1.58 1.54 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 50 P 0.00 4.27 0.00 2.15 2.17 0.00 2.78 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 51 E 8.02 3.95 0.00 2.04 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 2.36 2.47 0.00 52 S 8.37 4.25 0.00 4.18 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 53 Y 8.46 4.21 0.00 3.13 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 54 A 8.45 3.92 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 55 H 8.42 4.00 0.00 3.30 3.56 0.00 5.80 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 8.49 4.08 0.00 3.40 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 57 K 7.83 3.71 0.00 1.82 1.76 0.00 1.69 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 0.95 7.81 58 K 7.42 4.10 0.00 1.59 1.74 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.58 7.81 59 T 7.16 4.19 4.04 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 0.98 0.00 0.00 60 G 7.83 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.27 4.58 0.00 1.92 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 2.17 2.21 0.00 62 F 8.79 4.93 0.00 3.42 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 63 R 8.66 4.07 0.00 1.84 1.82 0.00 2.92 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 64 D 8.44 4.34 0.00 2.59 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 65 G 9.01 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.57 4.38 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 1.49 0.00 0.00 67 V 8.98 5.08 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 1.38 0.00 0.00 1.08 0.00 0.00 68 T 9.07 5.39 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 69 V 8.99 4.83 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 0.41 0.00 0.00 0.68 0.00 0.00 70 K 9.19 5.03 0.00 1.87 1.69 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.36 7.81 71 E 9.38 5.06 0.00 2.26 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 0.00 2.64 2.67 0.00 72 L 8.75 5.10 0.00 1.76 1.50 0.91 0.92 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 73 V 8.75 4.99 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 0.53 0.00 0.00 0.89 0.00 0.00 74 S 8.87 4.75 0.00 3.80 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 75 V 8.04 4.52 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.81 0.00 0.00 76 G 8.39 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 0.00 0.00 0.00 77 D 8.37 5.38 0.00 2.60 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 78 R 9.04 4.72 0.00 1.98 1.91 0.00 2.96 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 79 K 8.46 4.68 0.00 1.72 1.67 0.00 1.90 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.33 7.81 80 G 8.69 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 81 P 0.00 4.46 0.00 2.15 2.12 0.00 3.51 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 *85 N 8.07 4.53 0.00 2.69 2.73 0.00 0.00 6.94 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 86 G 7.53 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.50 5.44 0.00 2.90 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.53 5.07 0.00 3.09 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 89 M 8.93 4.36 0.00 1.86 2.12 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 2.66 2.56 0.00 90 G 8.94 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 0.00 0.00 0.00 91 D 7.87 4.80 0.00 2.64 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 92 Y 8.42 4.76 0.00 3.05 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 93 I 8.73 4.67 1.86 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 1.19 0.58 0.95 0.00 0.00 94 G 7.41 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 0.00 0.00 0.00 95 L 8.13 4.98 0.00 1.92 1.73 0.48 1.07 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 96 E 9.54 5.47 0.00 1.97 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 2.25 2.24 0.00 97 A 8.89 5.39 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 98 S 9.26 5.08 0.00 3.24 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 99 V 8.96 5.07 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 1.30 0.00 0.00 1.14 0.00 0.00 100 K 8.52 4.26 0.00 0.79 0.86 0.00 1.13 0.00 0.00 1.45 0.00 0.00 2.71 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.94 0.53 7.81 101 D 9.11 4.86 0.00 2.75 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 0.00 0.00 0.00 0.00 102 S 9.99 4.09 0.00 3.96 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 0.00 103 Q 7.92 4.01 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.11 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 104 R 8.28 3.67 0.00 1.18 0.98 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 105 F 7.71 5.11 0.00 3.43 2.94 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 0.00 106 A 8.50 4.29 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 0.00 107 N 8.19 4.90 0.00 2.86 2.93 0.00 0.00 5.93 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 0.00 108 E 8.00 4.74 0.00 2.15 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 2.37 2.34 0.00 109 P 0.00 4.43 0.00 2.32 2.27 0.00 3.93 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.02 0.00 110 G 9.64 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 0.00 0.00 0.00 111 N 8.41 4.59 0.00 2.83 3.05 0.00 0.00 6.86 7.87 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 0.00 112 W 8.15 5.15 0.00 3.17 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 0.00 113 A 8.60 4.48 -0.16 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 0.00 114 F 8.12 5.10 0.00 2.84 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.86 5.04 0.00 2.86 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 0.00 116 I 8.21 4.66 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.97 0.00 0.00 117 F 9.44 4.57 0.00 3.31 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 0.00 118 Y 7.89 5.19 0.00 3.27 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 0.00 119 V 8.21 4.71 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 0.75 0.00 0.00 0.93 0.00 0.00 120 P 0.00 4.35 0.00 2.01 2.03 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 121 D 8.31 4.49 0.00 2.69 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 0.00 122 T 8.61 4.50 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 123 P 0.00 4.40 0.00 2.23 2.14 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 124 L 8.35 4.35 0.00 1.24 1.48 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.11 4.61 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 0.77 0.00 0.00 1.08 0.00 0.00 126 A 8.77 4.32 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 0.00 127 A 8.04 5.39 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 0.00 128 A 8.97 4.73 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.61 4.87 0.00 1.84 1.74 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.51 7.81 130 N 8.92 3.88 0.00 2.42 2.39 0.00 0.00 6.10 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.30 4.60 0.00 1.45 1.69 0.89 0.93 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 0.00 132 P 0.00 4.44 0.00 2.08 2.16 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 133 T 8.66 3.82 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 1.22 0.00 0.00 134 A 7.88 4.08 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 0.00 135 E 7.85 4.07 0.00 1.94 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 2.25 2.29 0.00 136 C 7.58 4.30 0.00 2.45 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 0.00 0.00 0.00 137 A 7.43 3.40 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 0.00 138 A 8.23 3.86 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 0.00 139 C 7.91 4.05 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 7.88 4.00 0.00 3.11 3.39 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.19 3.98 0.00 1.89 2.01 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.73 1.47 7.81 142 E 7.95 4.20 0.00 2.22 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 2.33 2.35 0.00 143 N 7.75 4.89 0.00 2.98 3.05 0.00 0.00 6.97 7.85 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 0.00 144 A 7.48 2.97 0.42 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 0.00 145 K 8.22 3.91 0.00 1.56 1.72 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 146 T 7.48 4.43 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 1.55 0.00 0.00 147 D 9.74 4.62 0.00 3.09 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 0.00 148 M 8.15 2.96 0.00 1.98 1.67 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 149 V 7.27 4.18 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 1.10 0.00 0.00 -0.12 0.00 0.00 150 F 8.60 4.48 0.00 3.12 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 T 7.42 3.89 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 152 Q 7.64 3.88 0.00 1.81 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.00 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 153 F 7.32 5.05 0.00 2.79 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 0.00 154 Y 7.86 5.23 0.00 3.00 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 0.00 155 P 0.00 4.47 0.00 2.35 2.40 0.00 4.01 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 156 V 7.92 3.69 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 1.11 0.00 0.00 0.98 0.00 0.00 157 L 8.06 4.23 0.00 1.96 1.45 0.82 0.26 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 0.00 158 R 8.01 4.04 0.00 2.00 2.22 0.00 3.25 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 1.71 1.78 0.00 159 A 8.24 4.12 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.30 4.30 1.65 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 0.00 0.00 161 K 8.61 3.56 0.00 1.52 2.06 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.24 0.88 7.81 162 A 8.45 4.19 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 0.00 163 T 7.95 4.38 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 1.23 0.00 0.00 164 G 8.29 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 0.00 0.00 0.00 165 E 7.52 4.72 0.00 2.17 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 2.28 2.43 0.00 166 S 8.93 4.94 0.00 3.92 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 0.00 167 G 7.56 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 0.00 0.00 0.00 0.00 168 V 7.97 3.80 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 0.73 0.00 0.00 0.96 0.00 0.00 169 V 8.04 4.40 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 0.84 0.00 0.00 0.96 0.00 0.00 170 A 8.57 4.19 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.