NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.0090 8.3549 108.0070 45.1471 0.0000 173.4249 4 M 4.5224 8.2454 119.2026 52.5518 34.8073 174.0714 5 R 4.5631 8.5278 122.9643 55.6863 32.5281 174.8208 6 V 4.8207 8.4351 125.7347 61.2854 34.6491 173.7818 7 Y 4.8142 9.0168 127.2970 57.6584 39.2912 174.7358 8 L 5.3411 9.4868 124.5532 52.8958 45.0816 175.8262 9 G 4.6733 9.0297 109.7963 44.7079 0.0000 171.4114 10 A 5.8470 9.0103 122.5963 51.5084 23.5457 176.5251 11 D 4.6416 8.5571 121.0729 52.0734 41.9881 176.3717 12 H 3.9977 9.0346 114.3620 59.4291 27.7115 177.1272 13 A 4.3460 7.8546 121.7694 53.5616 18.4844 178.6651 14 G 3.9637 8.0207 102.5152 44.6772 0.0000 174.8970 15 Y 4.0620 7.7089 122.6153 60.8878 39.0378 177.8577 16 E 3.8309 8.3349 118.8854 59.2931 29.5757 178.9933 17 L 3.9179 7.8465 119.8494 57.8806 42.1133 178.5364 18 K 3.7895 8.2601 119.9664 59.8262 32.0650 178.7512 19 Q 3.8569 7.6571 117.7095 58.9217 28.5019 178.8842 20 R 3.9157 7.7778 118.6730 59.2997 30.0250 179.2500 21 I 3.7543 7.8858 119.7693 64.1665 37.0132 178.3466 22 I 3.6540 8.0067 121.1080 64.4115 37.0020 177.8606 23 E 3.8844 8.0281 119.8252 59.6102 29.5288 178.2276 24 H 4.1370 8.3789 118.1557 59.3830 29.9164 177.1416 25 L 4.0829 8.2353 122.3503 57.1136 41.5635 179.4476 26 K 3.8613 8.2121 118.5806 59.8782 31.9134 179.2798 27 Q 4.1996 8.0977 115.8106 57.6808 28.6768 177.5298 28 T 4.4585 7.7436 110.1106 61.0505 68.6132 175.5148 29 G 3.7017 8.0140 109.3838 46.2013 0.0000 173.0434 30 H 4.6582 8.1292 117.2187 54.0684 31.6503 174.8952 31 E 4.6330 9.2150 120.4951 53.6324 29.8442 172.3934 32 P 4.8782 0.0000 0.0000 62.1886 33.0329 176.0145 33 I 4.4200 8.8318 123.3635 59.4841 40.1555 174.1276 34 D 4.9042 8.8434 127.9459 54.0132 41.3774 175.4705 35 C 4.5324 9.5923 123.8629 59.6340 29.0196 174.6523 36 G 3.9879 8.8759 105.8229 44.4212 0.0000 173.0055 37 A 3.9837 7.4016 122.0405 52.2444 18.5298 177.9605 38 L 4.5789 8.3905 120.1365 55.0903 42.3515 176.3357 39 R 4.3057 7.0335 113.1147 54.9316 32.1041 173.6980 40 Y 3.4996 7.6281 119.7105 56.9233 38.8567 174.2333 41 D 4.3870 7.7297 126.5131 51.8580 42.6933 175.7179 42 A 3.4240 8.2179 130.4307 54.3303 18.4554 177.4633 43 D 4.7066 7.6877 113.4408 53.8113 41.4023 176.2166 44 D 4.6155 7.9016 119.6132 53.2575 40.0747 175.2623 45 D 4.9400 8.3729 119.5056 52.2590 42.9111 176.5452 46 Y 4.5909 8.7251 123.7998 59.8410 37.8343 176.5591 47 P 4.2142 0.0000 0.0000 65.4753 31.3960 178.1054 48 A 3.8606 7.6890 118.7110 55.3004 18.2161 179.5956 49 F 4.3332 7.5879 115.6178 60.7385 39.0446 177.7587 50 C 4.2759 8.3570 116.5203 62.9425 28.0370 176.1574 51 I 3.6887 8.3664 121.5677 64.1600 36.6398 178.2978 52 A 3.9179 8.1790 121.3897 55.2041 18.2921 179.5889 53 A 3.9401 8.1795 118.9831 55.2329 18.4866 179.7994 54 A 3.9469 8.2508 119.4246 55.4638 18.4097 179.7846 55 T 3.7656 8.3122 114.6348 67.0822 68.3606 176.9888 56 R 3.6083 7.4329 118.1573 59.2437 30.1905 179.0184 57 T 4.1702 7.5325 116.7930 66.2220 68.2936 176.9711 58 V 3.6221 7.6394 118.5001 65.6558 31.6596 177.2012 59 A 4.3008 7.9750 118.1159 52.5216 19.8848 177.0147 60 D 4.8142 7.7998 116.8039 50.9880 41.1284 172.4839 61 P 4.4418 0.0000 0.0000 63.9256 32.2564 176.6539 62 G 4.0563 9.0684 110.9804 45.2689 0.0000 173.7810 63 S 4.7239 8.1609 114.6169 57.8089 65.3404 172.8353 64 L 5.1008 9.0302 119.8254 53.2034 46.0367 175.7789 65 G 4.6994 9.3970 105.7326 45.2834 0.0000 172.0739 66 I 5.1882 9.1633 122.3471 59.3203 41.3228 174.7400 67 V 5.0018 8.8552 120.1603 59.5263 34.7819 174.7293 68 L 5.1285 8.9064 124.3440 53.0827 45.2312 175.2164 69 G 3.7471 8.5227 111.7621 46.0003 0.0000 173.9669 70 G 3.7641 9.1299 107.2864 49.0144 0.0000 175.9231 71 S 4.4497 8.1694 114.5719 57.1290 64.5220 175.1224 72 G 4.0297 8.6421 110.1082 45.9601 0.0000 175.5545 73 N 4.3669 8.0178 117.0285 56.2041 38.5518 177.5271 74 G 3.4367 7.7907 106.5670 47.7016 0.0000 175.2355 75 E 3.9988 7.6666 120.5471 59.3068 29.5221 179.3864 76 Q 4.0196 8.0265 117.5949 59.2405 28.3942 178.5248 77 I 3.6770 7.6992 120.7358 64.0137 37.4875 177.8642 78 A 4.1874 8.3951 121.5332 55.2538 18.3021 179.4185 79 A 3.9778 8.1596 119.2197 55.5711 18.2715 179.5575 80 N 4.4619 8.2766 113.3722 55.6909 38.6458 177.1585 81 K 4.3022 7.7310 118.8485 56.9171 32.5155 177.2099 82 V 3.7115 7.4383 120.9699 61.5223 31.6957 173.4762 83 P 5.1617 0.0000 0.0000 63.8619 31.4579 176.7429 84 G 3.9141 9.0120 111.9923 45.0870 0.0000 173.3679 85 A 4.3981 7.6832 122.5892 51.5375 19.5110 177.1859 86 R 4.6039 9.3660 120.8492 54.6924 33.1541 174.3331 87 C 5.1160 9.4149 125.9261 57.3990 33.0949 173.4653 88 A 4.3816 8.6348 128.7976 51.4088 20.0445 175.7193 89 L 4.6321 8.4296 121.8027 54.0242 43.0116 175.7913 90 A 4.5580 8.6456 129.9149 50.3105 19.4692 176.5234 91 W 4.8505 8.1422 118.7256 55.7624 29.1043 175.6789 92 S 4.4173 7.0828 112.5546 56.6259 65.6818 176.2802 93 V 3.4773 7.9310 121.7593 66.1867 31.1644 177.7788 94 Q 3.8412 7.8136 118.9324 59.4623 28.9491 178.3362 95 T 3.7046 7.6572 110.5252 64.3839 68.4131 176.5926 96 A 3.9299 7.8803 123.5109 54.8739 18.3585 179.4498 97 A 4.0346 8.1572 119.4472 55.4414 18.5090 179.9529 98 L 3.8145 8.1437 117.4029 57.5186 41.5331 179.2886 99 A 4.0439 8.0666 120.9544 55.5005 18.1266 179.9248 100 R 3.9261 7.7963 114.8632 59.4720 30.3893 178.8158 101 E 4.2271 8.5742 119.1310 59.3638 29.4361 178.1089 102 H 4.3168 8.6773 114.4358 57.2765 29.7615 175.7611 103 N 4.6069 8.2086 112.9596 52.5133 39.3965 174.0718 104 N 3.8708 8.0668 115.7744 53.9212 37.2689 174.1211 105 A 4.1873 8.1578 120.5740 52.4521 19.1902 178.4456 106 Q 4.3746 8.7420 121.9019 57.5436 30.3232 175.7690 107 L 6.2000 8.3901 118.4639 51.6748 46.0919 175.6380 108 I 4.8575 7.8126 113.9977 59.0368 41.1274 174.3682 109 G 4.3428 9.0742 111.4372 45.1401 0.0000 172.6455 110 I 4.8826 8.5129 122.7199 59.0774 41.4452 174.9831 111 G 3.8814 8.9156 114.7402 45.3998 0.0000 174.2752 112 G 3.8804 9.0927 116.1638 48.8407 0.0000 173.9220 113 R 4.2645 8.2745 117.7875 57.8409 30.3000 176.9650 114 M 4.3443 7.7699 116.3434 55.6348 32.8931 175.5631 115 H 5.1198 7.6195 114.4270 53.0362 33.1399 173.6505 116 T 4.2038 8.1983 111.9540 61.2711 70.6756 175.9718 117 V 3.5193 8.2954 120.8111 66.2167 31.5490 177.9324 118 A 3.9464 7.9733 119.9198 55.2293 18.2526 179.0881 119 E 3.8478 8.0970 117.1585 59.3370 29.7353 178.8933 120 A 3.9524 8.2913 121.1401 55.1556 18.3506 179.6564 121 L 3.9221 8.3332 117.6649 57.6075 41.6303 179.5660 122 A 3.9813 8.0088 121.0463 54.9469 18.2508 179.6022 123 I 3.5978 7.7731 118.4155 64.5361 37.1392 178.7289 124 V 3.6628 7.7683 118.8393 66.1279 31.2509 177.5318 125 D 4.3881 8.3579 118.5362 57.5390 40.8563 178.8122 126 A 4.0091 8.0961 120.9422 55.1637 18.1540 179.4734 127 F 4.2905 8.2209 118.0181 61.5623 39.6604 177.3342 128 V 3.6044 7.9519 109.8435 62.5195 31.6391 176.7486 129 T 4.4246 7.4140 106.9306 61.4223 70.1655 174.3174 130 T 4.2613 7.5335 119.8342 62.0948 69.0284 173.0125 131 P 4.5031 0.0000 0.0000 61.3845 32.2162 176.1009 132 W 5.0439 9.0043 131.0688 57.1498 31.0558 176.4432 133 S 3.8829 8.4103 120.5754 59.3318 62.6090 175.3657 134 K 2.6642 5.6600 116.4345 56.3358 29.4719 175.9713 135 A 3.9514 6.8928 121.4962 51.6519 19.8998 178.5515 136 Q 3.9267 8.6992 124.9198 59.5809 29.0784 179.7014 137 R 3.9291 7.8498 116.2661 59.5599 29.5320 178.3344 138 H 4.3727 8.0157 116.4390 58.7794 28.9037 177.3339 139 Q 4.2575 8.5199 121.4282 59.2645 28.9051 178.2421 140 R 3.9528 8.4561 120.0871 59.5544 30.1141 178.7531 141 R 3.9762 8.1504 117.8146 59.3014 30.0124 179.0131 142 I 3.7139 7.9309 119.5707 64.5969 37.1153 178.1938 143 D 4.4035 8.2598 119.5821 57.4086 40.6396 178.9444 144 I 3.7516 7.9409 120.3071 64.3664 37.0580 178.3129 145 L 4.0713 8.0850 121.0062 57.9960 41.9068 178.7823 146 A 3.9935 8.4559 121.2959 55.1074 18.3039 179.1983 147 E 3.8754 8.3967 117.8667 59.5209 29.6464 178.3671 148 Y 4.0459 8.1299 119.5981 60.8062 38.8690 177.8088 149 E 3.7138 8.5453 120.2815 59.1525 29.4424 179.0398 150 R 3.8782 7.8446 117.9821 58.4545 30.2579 177.9837 151 T 4.3052 7.5034 107.1266 60.6939 70.2432 174.2319 152 H 3.1525 7.8510 116.9717 56.1888 27.0013 174.1621 153 E 4.4235 7.8600 118.9374 54.5222 29.3612 176.3284 154 A 4.1658 8.7290 127.5024 51.5793 18.9764 175.2965 155 P 4.4204 0.0000 0.0000 61.6062 32.0505 174.7512 156 P 4.3918 0.0000 0.0000 62.8452 31.9424 176.0306 157 V 4.3058 8.0109 114.7133 58.7586 33.3565 174.0383 158 P 4.0556 0.0000 0.0000 63.2731 31.7714 176.6333 *159 G 3.7274 8.5707 109.6119 45.9030 0.0000 172.5113 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 3 G 8.35 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 0.00 0.00 0.00 4 M 8.25 4.52 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 5 R 8.53 4.56 0.00 1.81 1.72 0.00 3.20 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.29 0.00 6 V 8.44 4.82 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 0.84 0.00 0.00 0.94 0.00 0.00 7 Y 9.02 4.81 0.00 3.11 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 8 L 9.49 5.34 0.00 1.59 1.56 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 9 G 9.03 4.67 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 0.00 0.00 0.00 10 A 9.01 5.85 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 11 D 8.56 4.64 0.00 3.12 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 12 H 9.03 4.00 0.00 2.77 3.40 0.00 5.26 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 13 A 7.85 4.35 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 14 G 8.02 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 15 Y 7.71 4.06 0.00 3.18 3.29 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 16 E 8.33 3.83 0.00 2.04 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 2.58 2.34 0.00 17 L 7.85 3.92 0.00 1.74 1.79 0.90 0.65 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 18 K 8.26 3.79 0.00 1.85 1.84 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.46 7.81 19 Q 7.66 3.86 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 1.84 2.01 0.00 20 R 7.78 3.92 0.00 2.00 1.95 0.00 3.09 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 1.62 1.76 0.00 21 I 7.89 3.75 1.98 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 0.73 0.93 0.00 0.00 22 I 8.01 3.65 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 0.90 0.00 0.00 23 E 8.03 3.88 0.00 2.04 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 2.32 2.33 0.00 24 H 8.38 4.14 0.00 3.36 3.48 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.24 4.08 0.00 1.90 1.72 0.96 0.60 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 26 K 8.21 3.86 0.00 1.95 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.62 7.81 27 Q 8.10 4.20 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 28 T 7.74 4.46 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 1.08 0.00 0.00 29 G 8.01 3.70 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 0.00 0.00 0.00 30 H 8.13 4.66 0.00 3.05 3.40 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 9.21 4.63 0.00 1.91 1.72 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 2.10 2.16 0.00 32 P 0.00 4.88 0.00 2.10 2.02 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.18 0.00 33 I 8.83 4.42 1.52 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.51 1.06 0.00 0.00 34 D 8.84 4.90 0.00 2.71 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 35 C 9.59 4.53 0.00 3.08 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 36 G 8.88 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 37 A 7.40 3.98 0.93 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 38 L 8.39 4.58 0.00 1.70 1.79 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.03 4.31 0.00 1.74 1.82 0.00 2.56 0.00 0.00 3.74 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 40 Y 7.63 3.50 0.00 2.62 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 41 D 7.73 4.39 0.00 2.52 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 42 A 8.22 3.42 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 43 D 7.69 4.71 0.00 2.64 2.64 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 44 D 7.90 4.62 0.00 2.98 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.37 4.94 0.00 2.54 2.43 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 46 Y 8.73 4.59 0.00 3.33 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.21 0.00 1.96 2.01 0.00 3.15 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.43 0.00 48 A 7.69 3.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.59 4.33 0.00 3.36 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 50 C 8.36 4.28 0.00 3.25 3.18 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 0.00 0.00 0.00 0.00 51 I 8.37 3.69 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.61 0.88 0.00 0.00 52 A 8.18 3.92 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 0.00 0.00 0.00 0.00 0.00 53 A 8.18 3.94 1.49 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 0.00 0.00 54 A 8.25 3.95 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 55 T 8.31 3.77 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 1.15 0.00 0.00 56 R 7.43 3.61 0.00 1.03 0.73 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 57 T 7.53 4.17 4.39 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 1.32 0.00 0.00 58 V 7.64 3.62 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 0.79 0.00 0.00 0.99 0.00 0.00 59 A 7.98 4.30 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 60 D 7.80 4.81 0.00 2.80 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 61 P 0.00 4.44 0.00 2.09 2.00 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 62 G 9.07 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 63 S 8.16 4.72 0.00 4.17 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 0.00 64 L 9.03 5.10 0.00 1.53 1.64 0.37 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 65 G 9.40 4.70 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 0.00 0.00 0.00 66 I 9.16 5.19 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.94 0.89 0.00 0.00 67 V 8.86 5.00 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 0.78 0.00 0.00 1.02 0.00 0.00 68 L 8.91 5.13 0.00 1.51 1.50 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.52 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 0.00 0.00 0.00 70 G 9.13 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.17 4.45 0.00 3.92 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 72 G 8.64 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 0.00 0.00 0.00 73 N 8.02 4.37 0.00 2.72 2.82 0.00 0.00 6.70 7.09 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 74 G 7.79 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 0.00 0.00 0.00 75 E 7.67 4.00 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 2.32 2.16 0.00 76 Q 8.03 4.02 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.63 0.00 77 I 7.70 3.68 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 0.96 0.00 0.00 78 A 8.40 4.19 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 79 A 8.16 3.98 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 80 N 8.28 4.46 0.00 2.96 2.92 0.00 0.00 7.12 8.24 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 81 K 7.73 4.30 0.00 1.91 1.88 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.75 1.61 7.81 82 V 7.44 3.71 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 0.94 0.00 0.00 0.96 0.00 0.00 83 P 0.00 5.16 0.00 2.06 1.99 0.00 3.77 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 84 G 9.01 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 85 A 7.68 4.40 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 86 R 9.37 4.60 0.00 1.77 1.82 0.00 3.08 0.00 0.00 3.04 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 87 C 9.41 5.12 0.00 2.93 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 88 A 8.63 4.38 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 89 L 8.43 4.63 0.00 1.68 1.70 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.65 4.56 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 91 W 8.14 4.85 0.00 3.52 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 92 S 7.08 4.42 0.00 3.69 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.93 3.48 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 1.05 0.00 0.00 0.89 0.00 0.00 94 Q 7.81 3.84 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 95 T 7.66 3.70 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 0.55 0.00 0.00 96 A 7.88 3.93 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 97 A 8.16 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.14 3.81 0.00 1.61 1.60 0.84 0.43 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 99 A 8.07 4.04 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 0.00 100 R 7.80 3.93 0.00 2.10 2.13 0.00 3.49 0.00 0.00 2.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 101 E 8.57 4.23 0.00 2.16 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 2.40 0.00 102 H 8.68 4.32 0.00 3.25 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.21 4.61 0.00 2.90 2.84 0.00 0.00 7.06 8.00 0.00 0.00 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 N 8.07 3.87 0.00 1.44 1.92 0.00 0.00 7.01 7.96 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 0.00 105 A 8.16 4.19 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 0.00 106 Q 8.74 4.37 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 107 L 8.39 6.20 0.00 1.57 1.51 0.96 1.15 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 0.00 108 I 7.81 4.86 1.50 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.62 0.37 0.00 0.00 109 G 9.07 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 0.00 0.00 0.00 110 I 8.51 4.88 1.84 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 1.08 1.40 0.91 0.00 0.00 111 G 8.92 3.88 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 0.00 0.00 0.00 112 G 9.09 3.88 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 0.00 0.00 0.00 113 R 8.27 4.26 0.00 2.00 1.98 0.00 3.15 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 114 M 7.77 4.34 0.00 1.81 1.97 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 2.49 2.72 0.00 115 H 7.62 5.12 0.00 3.10 3.14 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.20 4.20 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 0.00 117 V 8.30 3.52 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 1.10 0.00 0.00 0.92 0.00 0.00 118 A 7.97 3.95 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 0.00 119 E 8.10 3.85 0.00 2.05 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 0.00 2.31 2.35 0.00 120 A 8.29 3.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.33 3.92 0.00 1.57 1.44 0.78 0.63 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 0.00 122 A 8.01 3.98 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 0.00 123 I 7.77 3.60 1.98 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 0.82 0.00 0.00 124 V 7.77 3.66 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 1.18 0.00 0.00 1.02 0.00 0.00 125 D 8.36 4.39 0.00 2.92 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 0.00 126 A 8.10 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.22 4.29 0.00 2.98 3.30 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 0.00 128 V 7.95 3.60 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 0.82 0.00 0.00 0.84 0.00 0.00 129 T 7.41 4.42 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 130 T 7.53 4.26 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 1.27 0.00 0.00 131 P 0.00 4.50 0.00 2.05 1.99 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 132 W 9.00 5.04 0.00 3.30 3.02 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 0.00 133 S 8.41 3.88 0.00 3.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 5.66 2.66 0.00 1.55 1.68 0.00 1.62 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.87 0.99 7.81 135 A 6.89 3.95 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 0.00 136 Q 8.70 3.93 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 137 R 7.85 3.93 0.00 2.06 2.13 0.00 2.97 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 138 H 8.02 4.37 0.00 3.60 3.97 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.52 4.26 0.00 2.43 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 140 R 8.46 3.95 0.00 1.93 2.13 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 141 R 8.15 3.98 0.00 2.13 2.01 0.00 3.37 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 142 I 7.93 3.71 2.03 0.00 0.00 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 1.44 0.87 0.85 0.00 0.00 143 D 8.26 4.40 0.00 2.94 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 0.00 144 I 7.94 3.75 2.06 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 1.44 0.95 0.94 0.00 0.00 145 L 8.09 4.07 0.00 1.81 1.84 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.46 3.99 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 0.00 147 E 8.40 3.88 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 148 Y 8.13 4.05 0.00 3.10 3.17 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 0.00 149 E 8.55 3.71 0.00 2.24 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 2.29 2.35 0.00 150 R 7.84 3.88 0.00 1.97 1.91 0.00 3.15 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 151 T 7.50 4.31 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 152 H 7.85 3.15 0.00 3.10 3.25 0.00 5.66 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 7.86 4.42 0.00 2.03 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 2.31 2.43 0.00 154 A 8.73 4.17 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 0.00 155 P 0.00 4.42 0.00 2.05 2.03 0.00 3.55 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 156 P 0.00 4.39 0.00 2.18 2.07 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 157 V 8.01 4.31 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 0.00 158 P 0.00 4.06 0.00 2.03 2.02 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 *159 G 8.57 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.