NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 W 5.1866 8.1333 118.0749 56.6989 30.4206 173.6899 2 N 5.2923 10.7210 118.3754 51.6597 42.7413 172.1065 3 N 5.4253 10.9700 123.5490 51.5360 42.1664 173.3495 4 I 5.1458 8.8255 124.7088 59.4608 41.0252 174.7638 5 V 4.7822 9.1846 126.4367 61.0508 35.2635 173.6897 6 F 5.0553 9.4710 130.5993 56.9790 41.4040 173.9525 7 Y 4.4390 8.0308 124.7492 56.6403 39.3070 174.5514 8 S 4.8781 9.0849 121.2105 57.3407 63.7377 173.2946 9 L 4.5370 8.6633 127.9331 54.2516 42.7658 177.8413 10 G 4.2948 8.2177 108.1623 44.5015 0.0000 171.2752 11 D 5.1373 9.0743 124.3362 51.9141 43.0651 176.1068 12 V 4.8132 8.1991 119.3771 61.4232 33.4141 174.0904 13 N 5.2376 9.2246 125.2502 52.3602 42.6114 173.2316 14 S 5.1764 8.6912 116.7478 56.8793 67.0768 173.0900 15 Y 4.6497 9.0433 123.4787 55.9245 41.8139 173.7849 16 Q 4.5053 8.4480 128.6678 55.6233 29.2395 175.3461 17 G 3.8974 9.7908 115.3583 46.1217 0.0000 175.5000 18 G 3.9752 8.9382 109.2161 45.1856 0.0000 171.6159 19 N 5.1661 8.6273 118.4934 53.3083 39.4589 175.2912 20 V 4.9271 9.2223 116.3330 59.5563 36.8428 174.6613 21 V 4.9491 9.1435 121.6094 59.6142 34.0354 176.8470 22 I 3.8293 8.6245 116.7006 62.9725 37.3264 176.6449 23 T 4.2054 7.6739 110.1107 62.2183 69.4101 174.5581 24 Q 4.4882 8.0284 122.0238 55.1765 30.5625 176.0595 25 R 5.4909 8.1048 116.4875 52.0693 29.9177 173.3111 26 P 4.5077 0.0000 0.0000 63.3413 32.6864 176.6409 27 Q 4.9653 8.6883 120.2099 54.9268 31.3901 174.3496 28 F 3.5575 7.9126 113.3872 55.0774 41.5377 173.1653 29 I 4.4772 6.7423 121.6167 60.2424 38.8990 175.0674 30 T 4.6618 8.8207 123.9417 62.2254 70.2747 173.6666 31 S 5.4200 8.8243 122.3184 55.8192 65.6131 173.8732 32 W 4.6864 9.0316 132.7115 56.2201 31.0025 175.5932 33 R 4.8278 8.1581 124.9609 53.4367 31.9212 174.4245 34 P 4.5328 0.0000 0.0000 62.7636 32.2074 176.3176 35 G 3.9589 8.0306 108.1671 45.6561 0.0000 171.6432 36 I 4.5430 8.4677 120.0663 60.9606 37.9307 175.7208 37 A 5.0688 9.2258 128.3038 50.4410 22.5235 174.9675 38 T 5.1307 8.6905 116.7876 61.4237 71.8928 174.0625 39 V 4.1053 8.9354 127.1274 63.2688 32.3615 176.0729 40 T 4.7532 8.3105 115.7529 60.6229 70.1464 173.4457 41 W 4.5754 8.0004 129.4365 57.2933 33.8218 172.4240 42 N 4.8281 7.4254 121.5343 52.0920 39.8641 173.7709 43 Q 3.9898 8.3435 121.3219 55.1091 32.1261 172.6952 44 C 5.5298 8.7562 123.1724 54.0622 44.2871 173.7966 45 N 4.9163 8.8824 117.2903 52.2245 38.5419 174.3636 46 G 3.5655 7.4711 108.8966 43.4551 0.0000 171.6138 47 P 4.1065 0.0000 0.0000 62.5479 32.3167 175.6290 48 E 3.8673 8.3128 119.9009 57.8125 30.7827 175.9046 49 F 5.4559 7.8389 115.1161 55.4452 43.0594 174.3858 50 A 4.9041 9.1385 124.4552 50.2889 20.7266 176.9269 51 D 4.6267 9.2166 121.6863 53.5972 40.0480 176.8643 52 G 4.3309 8.5012 108.6998 46.9002 0.0000 174.9723 53 F 4.4462 8.5660 117.1900 58.5818 39.3374 175.4041 54 W 5.3615 8.1742 119.5533 54.7298 32.8278 174.5695 55 A 4.0552 8.4510 123.8167 51.3485 19.7899 175.8262 56 Y 4.8163 7.6130 116.7929 56.2987 42.3805 172.9139 57 Y 5.0302 9.5351 117.4588 56.2970 41.0691 175.2806 58 R 5.1147 8.8651 122.6609 54.7855 33.1158 175.3240 59 E 4.8132 9.0771 123.2315 55.1669 33.0418 173.3190 60 Y 5.4171 8.8086 125.3966 56.4295 40.9270 175.1077 61 I 5.2804 9.0403 124.1573 59.5712 40.8348 175.1504 62 A 4.7895 9.1833 129.6019 51.5882 19.8190 176.2234 63 W 5.8931 10.0729 120.1694 55.3158 34.0669 174.9501 64 V 5.1574 9.3264 122.1995 61.8504 34.9684 173.5330 65 V 4.8018 9.4572 128.7108 61.2662 33.7464 173.7365 66 F 5.0289 8.7349 130.9014 55.3102 41.9905 172.9502 67 P 4.7411 0.0000 0.0000 63.1535 31.7661 176.3133 68 K 4.6870 9.1437 120.4086 57.2341 33.2414 176.1310 69 K 4.9781 7.5962 119.8906 55.2801 34.9402 175.3816 70 V 4.1673 8.3118 127.5233 60.9325 35.2173 174.2725 *72 T 4.4905 8.4872 108.9615 61.2539 69.9559 174.6432 73 Q 3.9460 8.8889 123.3883 59.4278 28.9944 177.1192 74 N 4.6856 8.2522 111.6776 53.1636 37.4156 174.9408 75 G 3.7964 8.5182 106.4834 46.6223 0.0000 172.9989 76 Y 4.8355 8.3366 116.5815 54.8905 40.8637 174.1414 77 P 4.5927 0.0000 0.0000 62.5566 32.7558 175.3169 78 L 4.8910 8.6619 123.0942 52.9833 44.8831 175.2384 79 F 5.0528 9.1618 122.5005 56.3423 40.8049 174.7327 80 I 4.9474 8.7128 125.5287 59.9014 38.4302 175.0973 81 E 5.5789 9.1866 126.3975 53.4668 33.3873 175.3678 82 V 3.4967 8.2428 122.5585 63.1837 31.6331 174.7812 83 H 4.5593 8.6709 128.6289 57.7942 31.1695 174.8982 84 N 4.6471 7.3430 118.6559 52.1170 41.6723 174.2931 85 K 3.9878 8.8045 125.0395 55.4784 34.2562 177.5157 86 G 3.6672 8.2564 110.1079 47.5337 0.0000 175.3635 87 S 4.4382 8.8081 118.4373 58.1943 63.4661 174.7623 88 W 4.2500 7.9259 121.8902 57.2928 29.8269 175.7074 89 S 4.5896 9.3715 119.2583 57.2754 63.0478 172.6223 90 E 4.7746 8.9304 129.6069 55.6497 30.0023 174.8215 91 E 4.5838 8.7943 126.2984 53.6853 33.9835 174.7543 92 N 3.6355 8.1669 115.3633 54.3121 37.0730 175.6850 93 T 3.8990 7.8999 107.2832 64.0820 69.0379 175.4869 94 G 3.5881 7.7970 110.1713 47.6645 0.0000 173.5989 95 D 4.3586 7.6938 119.8186 54.7692 41.5051 175.8029 96 N 4.6839 8.6410 121.8336 53.8610 39.5300 175.1231 97 D 4.8947 8.2010 117.3053 54.6843 43.9906 176.0969 98 S 4.9835 9.3573 112.9869 56.9491 67.3072 173.5228 99 Y 4.4252 9.2163 120.3936 56.8659 40.3486 175.0094 100 F 4.8837 8.3268 119.5242 55.9744 42.6284 173.7308 101 F 5.5684 9.4636 123.5983 55.7240 41.4756 175.0471 102 L 5.5331 9.2316 122.2412 53.3305 46.7027 176.1676 103 K 4.3531 8.8905 122.4389 55.7864 34.6538 174.5576 104 G 4.5716 8.7344 116.1405 45.3794 0.0000 171.7006 105 Y 5.1225 8.8278 121.4888 56.2869 39.2759 175.4484 106 K 3.8471 7.6790 121.5638 54.9953 35.1633 174.2650 107 W 5.1806 7.6302 120.9895 56.5082 30.4130 173.2346 108 D 4.3641 8.8623 117.1306 55.2526 38.1848 173.3125 109 E 4.2446 7.6594 121.5173 55.0098 30.1113 175.6631 110 R 3.8279 8.4369 127.9771 56.3027 31.0772 175.3201 111 A 4.5437 8.1032 125.8247 50.9515 23.0854 176.7433 112 F 4.8793 8.6687 116.1252 55.9623 40.5672 175.1749 113 D 4.8238 8.2981 120.3899 54.8998 40.9060 176.7557 114 A 4.4229 9.0208 125.4503 51.3135 19.5042 176.7938 115 G 4.0977 8.2491 109.5068 45.9894 0.0000 170.8745 116 N 5.0623 8.4266 119.3514 52.6284 39.1641 174.2702 117 L 3.9849 8.3039 126.6891 54.3641 42.2309 177.1644 118 C 4.9485 8.1797 114.7171 55.9833 45.3434 174.0377 119 Q 4.1820 7.8526 120.1605 55.9614 29.7434 177.2877 120 K 4.2329 8.2654 120.5779 54.6983 33.2636 174.7086 121 P 4.4904 0.0000 0.0000 64.7125 31.5205 176.6580 122 G 4.0722 8.9991 111.6007 45.3384 0.0000 173.8484 123 E 4.4910 8.2603 119.4095 56.1537 30.9601 175.6959 124 I 5.6927 7.7200 113.8962 58.8078 41.2925 173.8854 125 T 4.2789 8.0026 113.5194 61.5014 70.4683 171.3003 126 R 4.8253 8.6684 126.6154 55.3697 31.4820 175.1925 127 L 4.9640 9.0482 126.8318 53.2995 43.9114 177.0776 128 T 4.6260 8.1354 112.3305 61.0867 70.0295 174.4550 129 E 3.9773 8.2390 121.7575 56.4400 30.1041 175.8662 130 K 4.7544 7.7890 121.6671 54.6284 34.8572 175.2212 131 F 4.4652 8.2738 121.9063 54.9228 42.8472 174.1726 132 D 4.5159 8.4793 121.6035 54.9258 41.4869 175.8724 133 D 5.0552 8.4851 122.8791 54.2537 42.9537 175.2473 134 I 4.3378 8.5294 119.9645 59.6699 40.9407 174.5741 135 I 4.3925 8.3644 128.2681 59.4409 39.5008 175.1124 136 F 4.9797 7.8516 124.7279 55.1994 42.6634 174.2980 137 K 4.8904 8.8207 118.4565 55.2015 36.1689 175.3144 138 V 4.9971 8.8567 122.1209 61.1978 34.6514 173.8715 139 A 5.0055 9.2090 129.5533 50.5078 20.8305 175.6740 140 L 4.9849 8.4087 123.0614 52.3064 43.6230 175.0442 141 P 4.4244 0.0000 0.0000 62.3316 32.0654 177.1424 142 A 3.9673 8.8189 125.0970 55.1767 18.2734 177.7552 143 D 4.6870 8.0177 112.6488 53.0689 39.9208 176.1778 144 L 3.2008 7.8483 123.5411 54.3907 42.2596 175.1325 145 P 4.3693 0.0000 0.0000 62.5456 31.9230 176.2118 146 L 4.3307 8.0941 120.6270 55.1011 42.5065 175.6520 147 G 3.8472 8.2089 106.1595 43.6646 0.0000 172.6155 148 D 5.0595 8.1425 119.1708 54.0835 41.8809 176.1616 149 Y 4.2998 8.8423 119.1348 56.2879 42.2181 174.8734 150 S 4.8452 8.3633 116.4679 56.7412 63.9513 171.7303 151 V 4.1922 9.1236 126.4680 61.2495 33.0654 174.6292 152 K 4.4484 8.7457 127.9894 56.1713 32.4733 176.8857 153 I 4.3427 8.3078 127.7376 58.7303 38.1969 173.0423 154 P 4.8813 0.0000 0.0000 62.8197 32.4505 175.0271 155 Y 4.7581 8.3900 118.8641 56.6762 42.0958 173.0252 156 T 5.0260 8.6982 116.7637 62.1206 71.0334 174.1793 157 S 5.3606 8.3859 118.6532 55.6345 67.0034 174.7493 158 G 4.5375 9.2026 112.7914 46.4346 0.0000 175.3606 *160 Q 4.7331 8.1793 132.5207 55.9980 30.2926 172.2552 161 R 4.8381 9.3448 127.1975 54.8313 32.4307 174.9221 162 H 5.3787 9.4372 125.1263 54.5391 32.1454 172.6348 163 F 5.7809 9.7028 125.6108 56.0000 41.5139 174.8638 164 A 4.7437 9.0337 123.8125 50.2728 22.8761 176.3616 165 S 4.2749 7.0933 112.9429 58.3899 63.3379 173.7921 166 Y 4.6171 6.6496 118.0569 54.8165 40.9450 174.1599 167 L 3.1636 7.5884 123.0871 56.0690 42.6727 177.2318 168 G 3.9123 8.3894 113.0279 45.0163 0.0000 173.5138 169 A 4.1230 6.7660 122.6937 52.1482 18.7237 177.7975 170 R 5.1011 8.3707 119.9483 53.7811 34.2315 174.4369 171 F 4.8209 9.0590 122.3092 57.1400 42.6857 173.5865 172 K 4.7036 6.9830 125.0734 54.2211 35.3152 176.4293 173 I 3.4423 8.8090 125.2839 60.7944 37.6155 175.0003 174 P 4.0352 0.0000 0.0000 62.4385 33.0309 177.2238 175 Y 4.2802 8.0221 119.6641 61.3623 37.5877 178.9370 176 N 4.4780 8.0648 116.4211 55.5814 37.6683 177.0915 177 V 3.6156 7.4000 119.9916 65.4668 31.8401 177.4139 178 A 3.3675 7.8418 121.1550 54.9317 17.9468 179.7907 179 K 3.9923 8.4511 115.3609 59.9832 32.6798 178.1055 180 T 4.1838 7.4831 114.5566 64.2409 68.8952 175.2411 181 L 4.0260 7.2655 121.6473 53.8408 42.1461 175.3581 182 P 4.2548 0.0000 0.0000 63.3933 31.6764 177.3605 183 R 4.7228 8.0717 121.7244 54.3335 29.0490 175.8525 184 E 4.1409 8.1312 120.6567 57.3007 30.6420 176.4928 185 N 4.7276 7.8105 117.3575 52.6668 40.6092 173.8745 186 E 4.9250 8.0741 119.6567 54.6052 34.1712 173.2603 *188 L 4.4934 8.4040 120.9984 54.9642 43.4958 175.5678 189 F 5.2905 9.1805 130.6539 57.6854 40.5212 174.0575 190 L 5.1476 8.7504 127.3312 53.1054 44.1199 175.6552 191 F 4.8766 7.8665 115.4945 56.1407 41.8091 172.4717 192 K 4.9938 8.9899 122.3832 54.7422 34.5276 174.4596 193 N 5.2207 9.7485 128.2348 52.8305 39.7208 174.6226 194 I 4.4604 8.5396 120.6269 60.6792 38.4070 176.2754 195 G 3.8734 8.1197 108.1258 46.3573 0.0000 174.7917 196 G 4.0217 8.8052 110.8644 45.8715 0.0000 173.0835 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 W 8.13 5.19 0.00 3.66 3.33 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 2 N 10.72 5.29 0.00 2.70 2.74 0.00 0.00 7.22 6.04 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 3 N 10.97 5.43 0.00 3.01 3.01 0.00 0.00 6.34 7.11 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 4 I 8.83 5.15 1.89 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.41 1.32 0.00 0.00 5 V 9.18 4.78 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 0.35 0.00 0.00 1.01 0.00 0.00 6 F 9.47 5.06 0.00 3.28 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 7 Y 8.03 4.44 0.00 2.92 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 9.08 4.88 0.00 4.08 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 9 L 8.66 4.54 0.00 1.28 1.35 0.34 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.22 4.29 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 0.00 11 D 9.07 5.14 0.00 2.79 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 12 V 8.20 4.81 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 0.88 0.00 0.00 0.91 0.00 0.00 13 N 9.22 5.24 0.00 2.79 2.74 0.00 0.00 6.99 7.84 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 14 S 8.69 5.18 0.00 3.79 3.75 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 15 Y 9.04 4.65 0.00 3.25 3.10 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 16 Q 8.45 4.51 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 17 G 9.79 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 18 G 8.94 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 0.00 0.00 0.00 0.00 19 N 8.63 5.17 0.00 2.65 2.80 0.00 0.00 6.51 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 20 V 9.22 4.93 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 0.72 0.00 0.00 0.86 0.00 0.00 21 V 9.14 4.95 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 0.94 0.00 0.00 1.04 0.00 0.00 22 I 8.62 3.83 1.85 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 1.34 0.66 0.93 0.00 0.00 23 T 7.67 4.21 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 1.23 0.00 0.00 24 Q 8.03 4.49 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.22 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 25 R 8.10 5.49 0.00 1.60 1.78 0.00 3.25 0.00 0.00 4.01 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.41 0.00 26 P 0.00 4.51 0.00 2.44 2.25 0.00 3.84 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.81 0.00 27 Q 8.69 4.97 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 28 F 7.91 3.56 0.00 2.48 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 29 I 6.74 4.48 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.46 0.95 0.00 0.00 30 T 8.82 4.66 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 1.18 0.00 0.00 31 S 8.82 5.42 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 32 W 9.03 4.69 0.00 3.83 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.16 4.83 0.00 1.83 1.87 0.00 3.34 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 34 P 0.00 4.53 0.00 2.12 2.19 0.00 3.85 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.49 0.00 35 G 8.03 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 36 I 8.47 4.54 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.87 0.94 0.00 0.00 37 A 9.23 5.07 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 38 T 8.69 5.13 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 1.28 0.00 0.00 39 V 8.94 4.11 2.17 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 0.93 0.00 0.00 0.64 0.00 0.00 40 T 8.31 4.75 4.35 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 1.36 0.00 0.00 41 W 8.00 4.58 0.00 3.34 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 42 N 7.43 4.83 0.00 2.58 2.53 0.00 0.00 5.79 7.39 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 43 Q 8.34 3.99 0.00 1.40 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 44 C 8.76 5.53 0.00 2.68 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 45 N 8.88 4.92 0.00 2.76 2.83 0.00 0.00 5.89 7.00 0.00 0.00 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 G 7.47 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 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0.00 0.00 0.00 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 Y 7.61 4.82 0.00 3.33 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 57 Y 9.54 5.03 0.00 2.74 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 58 R 8.87 5.11 0.00 1.41 1.13 0.00 3.10 0.00 0.00 2.87 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.78 0.00 59 E 9.08 4.81 0.00 2.05 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 2.40 2.49 0.00 60 Y 8.81 5.42 0.00 2.50 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 61 I 9.04 5.28 2.24 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.90 0.00 0.00 62 A 9.18 4.79 0.14 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 63 W 10.07 5.89 0.00 3.78 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.93 4.77 0.00 2.22 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 0.00 2.23 2.07 0.00 91 E 8.79 4.58 0.00 1.66 1.75 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 2.22 2.33 0.00 92 N 8.17 3.64 0.00 1.44 1.71 0.00 0.00 6.62 7.22 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 93 T 7.90 3.90 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 1.18 0.00 0.00 94 G 7.80 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 7.69 4.36 0.00 2.67 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.64 4.68 0.00 2.73 2.82 0.00 0.00 6.85 8.06 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 97 D 8.20 4.89 0.00 2.55 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 98 S 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.25 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.43 5.06 0.00 2.90 2.80 0.00 0.00 6.93 7.78 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 0.00 117 L 8.30 3.98 0.00 1.25 1.29 0.11 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 118 C 8.18 4.95 0.00 2.89 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 0.00 119 Q 7.85 4.18 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.57 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 120 K 8.27 4.23 0.00 1.78 1.66 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.37 7.81 121 P 0.00 4.49 0.00 2.01 2.02 0.00 3.58 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 1.97 2.04 0.00 122 G 9.00 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 0.00 0.00 0.00 123 E 8.26 4.49 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 2.51 2.42 0.00 124 I 7.72 5.69 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.30 0.96 0.00 0.00 125 T 8.00 4.28 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 0.80 0.00 0.00 126 R 8.67 4.83 0.00 1.88 1.82 0.00 3.27 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 127 L 9.05 4.96 0.00 1.71 1.72 1.08 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.14 4.63 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 1.25 0.00 0.00 129 E 8.24 3.98 0.00 2.09 1.42 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 2.23 2.24 0.00 130 K 7.79 4.75 0.00 1.63 1.46 0.00 1.95 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.42 7.81 131 F 8.27 4.47 0.00 2.58 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 0.00 132 D 8.48 4.52 0.00 2.50 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 0.00 133 D 8.49 5.06 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 0.00 134 I 8.53 4.34 1.25 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 0.44 0.33 -0.74 0.00 0.00 135 I 8.36 4.39 1.61 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.60 0.76 0.00 0.00 136 F 7.85 4.98 0.00 1.51 2.39 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 0.00 137 K 8.82 4.89 0.00 1.81 1.65 0.00 1.19 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.32 7.81 138 V 8.86 5.00 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 1.15 0.00 0.00 0.94 0.00 0.00 139 A 9.21 5.01 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 0.00 140 L 8.41 4.98 0.00 1.49 1.53 0.60 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 4.42 0.00 2.63 2.45 0.00 3.79 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 142 A 8.82 3.97 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 0.00 143 D 8.02 4.69 0.00 2.95 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.85 3.20 0.00 1.55 1.53 0.63 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.37 0.00 2.12 1.99 0.00 3.16 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 146 L 8.09 4.33 0.00 1.67 1.75 1.02 0.96 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 0.00 147 G 8.21 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 0.00 0.00 0.00 148 D 8.14 5.06 0.00 2.41 2.48 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 0.00 149 Y 8.84 4.30 0.00 1.43 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 0.00 0.00 0.00 150 S 8.36 4.85 0.00 3.71 3.64 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 0.00 0.00 0.00 151 V 9.12 4.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.14 0.00 0.00 152 K 8.75 4.45 0.00 1.68 1.75 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 153 I 8.31 4.34 1.78 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.39 0.55 0.00 0.00 154 P 0.00 4.88 0.00 2.00 1.98 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 155 Y 8.39 4.76 0.00 3.16 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 T 8.70 5.03 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 1.39 0.00 0.00 157 S 8.39 5.36 0.00 3.72 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 0.00 158 G 9.20 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 0.00 0.00 0.00 0.00 *160 Q 8.18 4.73 0.00 2.73 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.71 2.81 0.00 161 R 9.34 4.84 0.00 1.88 1.41 0.00 3.00 0.00 0.00 2.79 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 162 H 9.44 5.38 0.00 3.34 3.49 0.00 5.56 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 F 9.70 5.78 0.00 3.35 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 0.00 164 A 9.03 4.74 0.72 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 0.00 165 S 7.09 4.27 0.00 3.47 2.63 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 0.00 166 Y 6.65 4.62 0.00 3.01 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 0.00 167 L 7.59 3.16 0.00 1.01 1.36 0.82 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 168 G 8.39 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 0.00 0.00 0.00 169 A 6.77 4.12 0.69 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 0.00 0.00 170 R 8.37 5.10 0.00 1.83 1.83 0.00 3.40 0.00 0.00 3.99 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.51 0.00 171 F 9.06 4.82 0.00 2.88 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 0.00 172 K 6.98 4.70 0.00 1.42 1.55 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.60 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.32 7.81 173 I 8.81 3.44 0.97 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.76 -0.22 0.00 0.00 174 P 0.00 4.04 0.00 2.01 1.84 0.00 3.32 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 175 Y 8.02 4.28 0.00 2.83 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 N 8.06 4.48 0.00 2.85 2.95 0.00 0.00 5.96 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 0.00 177 V 7.40 3.62 1.76 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 0.41 0.00 0.00 0.86 0.00 0.00 178 A 7.84 3.37 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.45 3.99 0.00 1.96 2.40 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.47 7.81 180 T 7.48 4.18 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 1.20 0.00 0.00 181 L 7.27 4.03 0.00 1.53 1.46 -0.36 0.54 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 0.00 182 P 0.00 4.25 0.00 2.07 2.01 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 183 R 8.07 4.72 0.00 1.73 1.84 0.00 3.18 0.00 0.00 4.01 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 184 E 8.13 4.14 0.00 2.15 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 0.00 2.36 2.47 0.00 185 N 7.81 4.73 0.00 1.44 1.44 0.00 0.00 6.24 8.34 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 0.00 186 E 8.07 4.92 0.00 1.96 1.74 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 2.20 2.07 0.00 *188 L 8.40 4.49 0.00 1.87 1.72 1.01 0.79 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 0.00 189 F 9.18 5.29 0.00 2.81 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.75 5.15 0.00 1.55 1.45 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 191 F 7.87 4.88 0.00 3.05 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 0.00 192 K 8.99 4.99 0.00 1.91 1.92 0.00 1.84 0.00 0.00 1.59 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.38 7.81 193 N 9.75 5.22 0.00 3.00 2.90 0.00 0.00 6.41 7.80 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 0.00 194 I 8.54 4.46 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 0.95 0.00 0.00 195 G 8.12 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 0.00 0.00 0.00 196 G 8.81 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.