NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3583 8.1849 120.6299 54.5665 43.3480 175.6759 2 R 4.6388 7.9915 119.2269 53.6837 33.1739 175.3609 3 L 4.0677 9.1571 125.1769 57.9262 42.7297 179.2857 4 A 4.6118 8.3164 120.9902 54.5856 18.3629 178.6061 5 D 4.3318 7.7407 113.7968 55.6602 40.9149 176.9186 6 F 4.8441 8.2800 117.0814 57.2316 39.6213 176.0058 7 G 3.9572 8.2392 108.2774 45.1862 0.0000 174.0283 8 F 4.7306 8.2237 118.6271 56.3824 40.2726 174.8412 9 T 5.0286 8.6826 113.8490 59.0452 71.5298 173.4280 10 D 4.6327 8.3732 121.1052 54.3609 40.5576 176.2009 11 G 3.9343 8.8037 104.9755 44.1103 0.0000 171.8779 12 I 4.9468 8.2066 121.3344 59.6081 39.8086 174.9842 13 N 4.9124 9.1871 124.9840 51.5405 40.7574 173.8072 14 E 4.9795 8.8329 124.7841 55.6922 30.4830 175.8313 15 I 4.8758 8.9447 117.8308 59.2003 42.2784 174.0000 16 I 4.5147 8.2974 122.6245 59.8561 38.6003 175.2121 17 A 4.8553 9.1612 130.5874 51.2242 20.1463 175.8121 18 I 5.1738 9.1883 124.6004 59.8101 39.8430 175.1223 19 T 5.2659 9.1221 116.8449 59.7405 72.6987 172.5662 20 E 4.6141 9.0500 124.2922 55.7493 31.0275 176.1834 21 N 4.9879 9.0856 124.4373 52.1416 39.5105 175.8867 22 E 3.9320 8.7562 119.4971 59.6767 29.4991 178.1376 23 D 4.4913 7.9625 115.0277 53.3035 39.7297 177.1382 24 G 3.8184 7.9588 109.4387 45.5319 0.0000 174.1549 25 S 4.1608 7.8762 114.7095 57.7437 64.6798 173.3537 26 W 5.3533 8.2637 120.2288 55.8511 30.5282 175.2737 27 N 5.3617 9.6388 121.9847 51.8146 41.1484 172.9996 28 A 5.3137 9.2840 127.3278 50.2217 21.7390 175.1924 29 A 4.5460 8.6704 122.3334 49.9022 23.2180 173.9461 30 P 4.9217 0.0000 0.0000 62.6311 32.2725 175.8780 31 I 4.7046 8.8621 116.0506 59.4613 41.7489 173.8411 32 G 4.2764 8.6372 110.4911 45.0000 0.0000 173.0574 33 I 4.4787 8.8855 127.9431 60.2310 38.9987 175.0226 34 I 4.6598 8.9323 129.2594 60.3775 38.7394 175.0670 35 V 4.5924 8.9634 127.2164 61.3697 33.6411 176.0818 36 E 4.0320 9.0530 127.2710 58.1768 30.3233 176.0240 37 D 4.5252 7.6837 118.4062 52.5788 42.8968 175.4736 38 S 4.3971 8.6888 122.3400 60.1252 63.4801 175.8424 39 S 4.2384 8.3018 115.3324 59.5216 63.4133 174.0400 40 S 4.6819 7.8675 117.5940 57.1598 65.7766 174.0332 41 D 5.1162 8.4927 116.1749 53.1881 40.3469 175.4543 42 T 5.2175 7.7392 107.8199 60.8508 71.6222 172.6958 43 A 4.7086 8.4896 124.0862 51.5745 23.6255 174.5322 44 K 4.9612 8.7699 116.6919 56.0655 36.9352 175.1954 45 A 4.7661 8.5837 121.3522 50.3219 22.7099 175.1008 46 K 4.5698 8.6204 124.1439 55.4536 33.2221 175.6806 47 L 4.7897 8.3646 127.4689 53.1167 44.1318 176.4363 48 Y 4.2773 8.4978 120.6965 56.9677 39.0196 176.3213 49 R 4.1923 8.4091 121.3175 56.2935 28.4117 174.9519 50 N 5.0382 7.9667 121.6278 50.2117 41.9333 174.7330 51 R 3.9547 8.5116 118.8082 59.6246 29.9880 178.2633 52 T 3.8909 7.9695 115.3519 66.7116 68.4830 176.2717 53 R 3.8663 8.5621 120.3527 59.2859 29.8501 178.3287 54 A 3.9960 8.0524 120.6190 55.2987 17.8916 179.4081 55 N 4.4066 8.5687 115.3532 56.5465 38.6711 177.7604 56 L 4.0828 8.2095 120.4700 57.7127 41.4375 179.2039 57 E 3.9793 8.1941 118.0519 59.3351 29.4307 179.1087 58 R 4.1181 7.4488 116.4804 58.8140 30.4539 177.7401 59 S 4.6160 8.4263 112.3330 57.6312 64.2244 174.8114 60 G 3.9368 8.2395 109.3728 45.9804 0.0000 172.4027 61 V 4.7855 7.7998 118.2053 60.5906 34.2689 174.3926 62 L 4.8686 8.8776 129.8292 53.3697 44.8457 175.0268 63 F 5.3368 9.3177 124.7600 56.1119 41.5409 174.6353 64 A 5.3884 9.3792 123.5834 50.3384 22.4898 174.6667 65 N 5.4179 9.2112 119.0396 51.4722 41.5045 173.9710 66 V 4.4167 8.7041 124.8881 62.1711 32.1667 175.0053 67 T 4.7989 8.4933 121.6191 60.5068 70.5315 172.6457 68 D 4.8813 8.6438 125.2233 53.1248 39.9201 176.2336 69 D 4.6545 8.0969 120.2566 53.9318 41.4949 175.9417 70 A 4.1173 8.7281 130.4478 55.2998 18.2955 178.7057 71 L 4.0250 8.3657 118.8165 58.3486 42.2476 179.3723 72 V 3.1849 8.0934 117.7562 65.8920 31.6209 177.8562 73 F 3.8790 8.1519 117.2818 60.3080 38.5237 177.5774 74 A 4.0694 8.0869 119.3978 55.1686 18.6415 179.5997 75 V 3.7361 7.9931 117.2523 66.1958 31.4735 178.2856 76 S 4.9415 7.5565 112.9993 60.2135 62.9980 176.0735 77 S 4.0583 7.7244 117.9376 60.3403 62.5354 174.5584 78 F 4.7939 7.5952 116.9798 56.1665 40.4669 174.4273 79 G 3.9350 7.1756 109.2734 45.1774 0.0000 172.2335 80 N 4.7655 8.5464 117.8672 52.8589 39.7042 174.2035 81 L 4.0863 8.0150 122.0281 53.7500 42.8914 176.5462 82 N 4.9732 8.7343 118.9429 51.3734 39.3265 175.3805 83 D 4.5471 8.8653 117.7356 57.6199 41.2122 178.1526 84 D 4.5479 8.1905 117.3965 56.4944 41.0686 177.4007 85 W 4.2117 8.9133 119.0236 58.1126 29.4496 175.3137 86 Y 4.7924 7.9457 116.6556 56.4701 38.5405 175.7072 87 A 4.2778 9.0719 128.0285 54.0877 19.5081 177.8068 88 S 4.6231 7.7164 109.7601 56.1977 65.4236 172.6855 89 P 4.3566 0.0000 0.0000 64.5927 31.8082 175.7662 90 N 4.3756 7.4205 116.0230 51.8635 40.1871 172.0883 91 P 3.8978 0.0000 0.0000 61.3248 32.1146 173.9630 92 P 4.7487 0.0000 0.0000 61.8504 32.3128 176.0629 93 I 4.4417 8.2220 124.6148 59.7236 40.5350 174.0761 94 I 3.9895 9.5893 129.7636 60.3972 38.2531 176.3769 95 K 4.0378 8.8445 126.2329 58.4588 32.2911 177.6732 96 G 3.9380 8.9858 111.4712 45.1332 0.0000 174.1745 97 A 4.0794 7.3970 121.0596 52.0169 18.6734 176.2764 *99 A 4.5788 8.2469 115.7032 51.9721 20.5405 176.2625 100 W 5.7398 8.4667 115.5028 55.1593 32.1851 173.8239 101 C 4.3853 9.2363 114.7083 56.9609 33.2208 172.3385 102 R 4.7133 8.4834 119.7298 54.4097 32.6172 174.1881 103 F 5.2875 9.2233 124.1947 55.6819 42.8239 174.2305 104 E 4.8374 9.0478 121.7033 55.7629 31.0264 175.3806 105 A 5.1190 8.8775 124.7560 50.4636 22.2069 175.2742 106 E 4.7311 8.7516 122.4660 54.6700 33.7384 174.0800 *108 R 4.2478 8.4210 115.8909 57.6104 31.3218 175.7891 109 S 3.7090 9.8254 120.3762 59.6682 60.5882 173.4361 110 G 3.8645 8.1608 106.1749 45.3190 0.0000 172.7486 111 V 4.6098 7.5367 119.6606 60.8239 33.5873 174.8855 112 A 4.4596 8.9898 130.6036 51.4692 19.8745 175.7785 113 H 4.8253 9.2804 121.3895 55.2367 30.3542 174.7016 114 L 5.1968 8.8746 124.0431 52.6980 44.8271 175.4964 115 K 4.9973 8.9036 123.5835 54.2692 35.1416 174.9173 116 L 4.1905 9.3074 131.2767 55.4462 41.9252 176.4617 117 T 4.5573 8.2760 115.2914 61.5962 70.7846 172.8643 118 D 4.3074 6.6660 120.0806 52.9147 44.7704 174.4438 119 G 2.2844 7.1892 112.0170 44.6423 0.0000 171.1134 120 E 4.7187 5.9293 118.3151 54.6966 32.8028 174.2341 121 I 4.3912 8.3543 125.8635 61.3918 38.0419 175.7464 122 I 4.2099 8.4933 125.5784 62.7906 38.1446 176.0951 123 E 4.4866 7.7361 120.7201 54.9849 31.5031 174.4549 124 K 4.3266 8.5100 126.1826 56.2699 33.0281 176.3136 125 R 4.7710 8.1434 119.5601 54.5700 34.3596 174.7978 126 V 4.4410 8.1582 117.7449 59.8834 33.5995 175.2004 127 R 4.5251 8.3779 123.2637 54.0484 33.0649 174.3212 128 A 4.1450 8.5297 127.7991 51.7459 19.0956 177.1333 129 I 3.6129 8.2945 121.1459 62.2495 37.6649 175.7781 130 N 4.8957 8.5207 121.5871 51.3158 41.6855 175.2692 131 R 4.1825 8.7117 127.3393 58.5755 30.3216 179.1035 132 G 3.5770 8.1588 105.9121 47.5079 0.0000 175.3657 133 L 3.9761 8.1372 122.7877 58.0732 42.0723 179.0867 134 S 4.0436 7.8654 114.7468 61.7594 62.6935 176.7464 135 A 3.9595 8.2411 123.4715 54.9235 18.1065 179.8316 136 V 3.6152 8.0093 116.8226 66.2731 31.5118 178.3319 137 I 3.5103 7.5408 119.3967 64.3679 37.0497 178.2962 138 E 3.6640 8.0788 119.2224 59.2710 29.1734 179.2863 139 A 4.0774 7.9968 120.9518 55.1100 18.3754 179.6350 140 L 3.9295 7.9199 117.5906 57.7683 41.5130 179.8245 141 V 3.4836 7.3484 118.1923 66.4792 31.4856 177.9313 142 H 4.3494 7.9046 115.2345 58.7048 28.5549 177.7358 143 A 4.1705 8.6084 123.4544 55.3270 18.0078 179.8237 144 T 3.8820 7.8433 107.5690 64.6717 69.1062 176.7317 145 R 3.9640 7.8287 121.7762 59.3740 29.8971 177.4629 146 Y 4.1651 8.5239 120.2780 60.9950 38.7160 178.7201 147 V 3.7277 7.9365 110.0609 63.1005 31.7684 176.6939 148 A 4.4756 7.7945 121.5678 51.7917 19.3710 176.6837 149 I 4.6232 7.1332 108.5721 58.8182 40.2534 175.5940 150 K 4.2263 8.2939 119.5614 57.0933 33.8001 177.4620 151 S 4.0691 7.9594 113.6116 58.6826 62.9531 174.3035 152 D 4.3370 8.7335 129.5636 57.4901 40.7999 178.6167 153 E 3.9803 8.0744 118.6798 59.4463 29.6268 179.4145 154 R 3.9869 7.9857 118.1388 59.2649 30.0325 179.3321 155 R 4.0143 8.3418 118.3260 58.9867 30.0261 178.8672 156 K 3.9517 8.3701 119.7252 59.6121 32.2319 178.3585 157 E 3.9578 8.0960 118.9670 59.4210 29.4860 178.8443 158 L 4.0827 8.1619 119.0309 57.6704 41.6810 179.2584 159 L 3.7398 8.4421 120.7070 57.8945 41.9773 178.7925 160 E 4.0434 8.2917 118.7544 59.3849 29.3227 179.5555 161 R 3.9171 7.8627 117.5079 59.3350 30.0992 179.0506 162 I 4.0014 8.0813 119.8270 65.0265 37.1288 178.2040 163 H 4.3273 8.7061 117.3276 58.9020 28.3153 177.2018 164 Y 3.9403 8.2311 121.3378 61.1093 38.6639 177.9927 165 Y 4.0586 8.2796 117.6153 60.8048 37.8739 178.3111 166 R 2.5687 8.3434 120.2904 59.0288 30.0827 178.4138 167 E 3.7910 7.9208 118.3237 59.3085 29.3445 179.3916 168 I 3.5585 7.1418 120.0767 64.3003 37.1059 178.9187 169 V 3.6163 7.6662 119.9966 64.8861 30.9463 178.4976 170 Q 3.8758 7.8494 118.0594 58.3322 28.5537 178.1786 171 K 4.0639 7.7979 119.9496 58.9308 32.4226 177.7938 172 C 4.6718 8.2170 115.2467 59.5644 29.8429 174.8980 173 G 3.7849 7.3839 108.8715 44.9081 0.0000 173.9045 174 S 4.4799 8.8924 116.6317 57.3775 65.3616 175.1723 175 E 3.9988 8.7006 120.9589 59.5791 29.0346 179.6870 176 R 3.9232 7.7933 118.7456 59.4816 30.0689 178.4907 177 E 4.0954 8.1581 117.9732 59.2892 29.5472 179.2545 178 K 4.0222 8.2376 118.6589 59.3609 32.0050 179.3553 179 R 3.9050 8.3996 119.0182 59.4103 29.9396 178.3857 180 A 4.0823 8.2053 120.5772 55.2935 18.1705 179.4307 181 F 3.8547 8.4336 118.3699 61.2733 39.5223 176.7046 182 E 4.1779 8.2603 118.4102 59.0719 29.5825 178.5278 183 I 3.8919 7.6446 119.8006 64.3438 37.2821 178.9490 184 I 3.5371 7.1713 116.9991 62.2172 37.0926 177.6687 *186 E 4.2405 8.0858 121.0683 56.4689 31.1696 178.5269 187 K 3.7610 7.9234 117.0834 58.8572 31.9279 178.0187 188 I 4.0521 7.3255 109.6879 61.0163 38.0095 176.3903 189 G 3.9325 8.0843 109.1972 45.8793 0.0000 173.5448 190 E 4.2851 7.9781 124.0607 56.1197 29.9929 175.9743 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 L 8.18 4.36 0.00 1.68 1.80 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 2 R 7.99 4.64 0.00 1.99 1.75 0.00 3.11 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 3 L 9.16 4.07 0.00 1.91 1.78 0.96 0.16 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 4 A 8.32 4.61 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 5 D 7.74 4.33 0.00 2.07 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 0.00 0.00 0.00 6 F 8.28 4.84 0.00 3.28 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 7 G 8.24 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.22 4.73 0.00 3.24 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 9 T 8.68 5.03 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 10 D 8.37 4.63 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.80 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 0.00 0.00 0.00 12 I 8.21 4.95 1.88 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 1.35 0.72 0.93 0.00 0.00 13 N 9.19 4.91 0.00 2.86 2.68 0.00 0.00 6.63 7.23 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 14 E 8.83 4.98 0.00 1.80 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 2.26 2.15 0.00 15 I 8.94 4.88 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.97 0.85 0.00 0.00 16 I 8.30 4.51 1.68 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.57 0.68 0.00 0.00 17 A 9.16 4.86 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 I 9.19 5.17 1.72 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.65 0.64 0.00 0.00 19 T 9.12 5.27 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 1.32 0.00 0.00 20 E 9.05 4.61 0.00 2.09 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 2.20 1.86 0.00 21 N 9.09 4.99 0.00 2.92 2.70 0.00 0.00 6.86 7.34 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 22 E 8.76 3.93 0.00 1.93 2.01 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 2.31 2.31 0.00 23 D 7.96 4.49 0.00 2.71 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 24 G 7.96 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 25 S 7.88 4.16 0.00 3.85 3.89 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 26 W 8.26 5.35 0.00 2.97 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 9.64 5.36 0.00 2.97 2.74 0.00 0.00 6.86 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 9.28 5.31 1.13 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 0.00 0.00 29 A 8.67 4.55 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.92 0.00 2.00 2.16 0.00 3.55 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 31 I 8.86 4.70 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.71 0.93 0.00 0.00 32 G 8.64 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 0.00 0.00 0.00 0.00 33 I 8.89 4.48 2.12 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.73 0.71 0.00 0.00 34 I 8.93 4.66 1.90 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 1.10 0.74 0.90 0.00 0.00 35 V 8.96 4.59 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 1.12 0.00 0.00 0.99 0.00 0.00 36 E 9.05 4.03 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 2.28 2.28 0.00 37 D 7.68 4.53 0.00 2.69 2.49 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 38 S 8.69 4.40 0.00 4.22 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 39 S 8.30 4.24 0.00 4.01 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 40 S 7.87 4.68 0.00 3.94 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 41 D 8.49 5.12 0.00 2.71 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.74 5.22 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 1.22 0.00 0.00 43 A 8.49 4.71 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.77 4.96 0.00 1.68 1.73 0.00 1.19 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 1.30 7.81 45 A 8.58 4.77 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.62 4.57 0.00 1.67 1.58 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.56 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.13 1.47 7.81 47 L 8.36 4.79 0.00 1.49 1.53 0.91 0.90 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 48 Y 8.50 4.28 0.00 2.95 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 49 R 8.41 4.19 0.00 1.82 1.93 0.00 3.23 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 50 N 7.97 5.04 0.00 2.98 2.91 0.00 0.00 5.77 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 51 R 8.51 3.95 0.00 1.96 2.09 0.00 3.51 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 52 T 7.97 3.89 4.43 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 1.24 0.00 0.00 53 R 8.56 3.87 0.00 2.00 1.94 0.00 3.08 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 54 A 8.05 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 55 N 8.57 4.41 0.00 2.85 3.02 0.00 0.00 7.07 6.32 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 56 L 8.21 4.08 0.00 1.70 1.72 0.91 0.85 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 57 E 8.19 3.98 0.00 2.13 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 2.35 2.47 0.00 58 R 7.45 4.12 0.00 1.86 2.10 0.00 3.24 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 59 S 8.43 4.62 0.00 4.08 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 60 G 8.24 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 0.00 0.00 0.00 61 V 7.80 4.79 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 1.00 0.00 0.00 62 L 8.88 4.87 0.00 1.79 1.53 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.32 5.34 0.00 2.97 2.91 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 64 A 9.38 5.39 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 9.21 5.42 0.00 2.60 2.70 0.00 0.00 6.46 7.50 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 66 V 8.70 4.42 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 0.61 0.00 0.00 0.78 0.00 0.00 67 T 8.49 4.80 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 68 D 8.64 4.88 0.00 2.81 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 69 D 8.10 4.65 0.00 2.80 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 70 A 8.73 4.12 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 71 L 8.37 4.02 0.00 1.97 2.02 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.09 3.18 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 0.63 0.00 0.00 1.20 0.00 0.00 73 F 8.15 3.88 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 74 A 8.09 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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6.67 4.31 0.00 2.78 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 0.00 119 G 7.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 5.93 4.72 0.00 1.89 1.79 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 2.29 2.32 0.00 121 I 8.35 4.39 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.94 0.00 0.00 122 I 8.49 4.21 2.12 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.02 0.99 0.00 0.00 123 E 7.74 4.49 0.00 1.91 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 2.22 2.35 0.00 124 K 8.51 4.33 0.00 1.80 1.72 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.47 7.81 125 R 8.14 4.77 0.00 1.74 1.79 0.00 3.16 0.00 0.00 3.43 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 126 V 8.16 4.44 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 0.73 0.00 0.00 0.93 0.00 0.00 127 R 8.38 4.53 0.00 1.73 1.78 0.00 3.25 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 128 A 8.53 4.15 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 0.00 129 I 8.29 3.61 1.87 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 0.84 0.91 0.00 0.00 130 N 8.52 4.90 0.00 2.69 2.62 0.00 0.00 7.24 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 0.00 131 R 8.71 4.18 0.00 1.90 1.99 0.00 3.19 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 132 G 8.16 3.58 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 0.00 133 L 8.14 3.98 0.00 1.79 1.85 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 134 S 7.87 4.04 0.00 4.07 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 0.00 135 A 8.24 3.96 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.01 3.62 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 1.02 0.00 0.00 1.17 0.00 0.00 137 I 7.54 3.51 1.81 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.87 0.70 0.00 0.00 138 E 8.08 3.66 0.00 1.16 1.13 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 2.22 2.14 0.00 139 A 8.00 4.08 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.92 3.93 0.00 1.78 1.63 0.98 0.69 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 0.00 141 V 7.35 3.48 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 0.93 0.00 0.00 0.89 0.00 0.00 142 H 7.90 4.35 0.00 3.32 3.39 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.61 4.17 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 0.00 144 T 7.84 3.88 4.05 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 0.90 0.00 0.00 145 R 7.83 3.96 0.00 1.92 2.21 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 146 Y 8.52 4.17 0.00 3.17 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 0.00 147 V 7.94 3.73 2.18 0.00 0.00 0.00 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 1.14 0.00 0.00 148 A 7.79 4.48 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 0.00 149 I 7.13 4.62 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 1.51 0.65 0.95 0.00 0.00 150 K 8.29 4.23 0.00 1.71 1.84 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.35 7.81 151 S 7.96 4.07 0.00 3.87 3.74 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 0.00 152 D 8.73 4.34 0.00 2.72 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 0.00 153 E 8.07 3.98 0.00 2.01 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 2.40 2.40 0.00 154 R 7.99 3.99 0.00 1.87 1.99 0.00 3.12 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 1.67 0.00 155 R 8.34 4.01 0.00 1.98 1.88 0.00 3.09 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.48 0.00 156 K 8.37 3.95 0.00 2.01 2.00 0.00 1.66 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.50 7.81 157 E 8.10 3.96 0.00 2.13 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 2.32 2.36 0.00 158 L 8.16 4.08 0.00 2.16 1.88 1.07 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.44 3.74 0.00 1.86 1.82 0.57 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.29 4.04 0.00 2.27 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 2.37 2.50 0.00 161 R 7.86 3.92 0.00 2.06 2.04 0.00 2.84 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 162 I 8.08 4.00 1.94 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 1.59 0.93 1.03 0.00 0.00 163 H 8.71 4.33 0.00 3.33 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Y 8.23 3.94 0.00 3.02 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 0.00 165 Y 8.28 4.06 0.00 3.39 3.35 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 0.00 166 R 8.34 2.57 0.00 1.85 1.91 0.00 3.20 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.99 0.00 167 E 7.92 3.79 0.00 1.98 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 2.42 0.00 168 I 7.14 3.56 1.94 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.28 0.95 0.00 0.00 169 V 7.67 3.62 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 0.38 0.00 0.00 1.11 0.00 0.00 170 Q 7.85 3.88 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 171 K 7.80 4.06 0.00 1.70 1.85 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.43 7.81 172 C 8.22 4.67 0.00 3.01 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 0.00 173 G 7.38 3.78 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 0.00 0.00 0.00 174 S 8.89 4.48 0.00 4.06 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 0.00 175 E 8.70 4.00 0.00 2.01 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 2.41 2.33 0.00 176 R 7.79 3.92 0.00 1.89 1.96 0.00 3.13 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 177 E 8.16 4.10 0.00 2.28 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 2.42 2.51 0.00 178 K 8.24 4.02 0.00 1.99 1.88 0.00 1.67 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.44 1.59 7.81 179 R 8.40 3.90 0.00 2.02 2.18 0.00 3.13 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 180 A 8.21 4.08 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 0.00 0.00 181 F 8.43 3.85 0.00 3.25 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 0.00 182 E 8.26 4.18 0.00 2.08 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 2.36 2.43 0.00 183 I 7.64 3.89 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.70 0.93 0.00 0.00 184 I 7.17 3.54 1.56 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.73 0.00 0.00 *186 E 8.09 4.24 0.00 2.15 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 2.28 2.67 0.00 187 K 7.92 3.76 0.00 0.79 0.79 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 0.80 7.81 188 I 7.33 4.05 1.93 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.46 0.95 0.00 0.00 189 G 8.08 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 0.00 0.00 0.00 190 E 7.98 4.29 0.00 1.92 1.85 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 2.18 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.