NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 G 3.9767 8.3393 109.7393 45.5902 0.0000 173.7482 25 S 3.9990 8.4683 115.1376 59.0153 63.9048 172.9605 *27 A 4.0856 7.6097 123.2573 51.4213 20.4117 178.1503 28 S 4.3861 8.4293 117.4828 57.9687 65.2149 175.2944 29 A 4.0063 8.6004 124.0166 55.3916 18.0291 179.8866 30 A 4.3358 7.9896 120.0746 54.9872 18.6876 179.5300 31 Q 3.9951 8.3997 118.1839 59.0373 29.0953 178.4728 32 L 4.0103 7.9945 120.3050 57.6831 41.6431 179.3771 33 R 3.9228 8.0461 118.5941 59.6054 30.0569 178.2965 34 I 3.8869 8.2678 118.6252 64.2533 37.8000 177.5425 35 Q 3.9406 8.1148 120.0715 58.8616 28.6233 178.0835 36 K 3.9061 7.6413 119.2521 59.6428 32.6549 178.1438 37 D 4.5912 8.5315 119.2950 57.6933 40.6558 178.9715 38 I 3.6532 7.8742 119.0876 64.3825 37.1426 177.6428 39 N 4.4579 7.9114 116.1091 54.7889 40.0029 174.7849 40 E 4.7137 7.9010 119.3270 55.3079 29.4829 175.7342 41 L 4.8844 7.5637 117.9014 53.4061 44.3893 177.6669 42 N 5.1155 9.4784 120.2212 51.6877 38.6791 174.3419 43 L 4.1976 7.6190 118.8203 53.5298 43.3005 175.8511 44 P 4.5975 0.0000 0.0000 62.0499 32.0165 177.8547 45 K 4.0719 8.5165 119.2334 59.6172 32.1275 178.5851 46 T 4.1711 7.9271 107.4353 62.7553 69.2245 173.2393 47 C 5.4011 7.8501 120.3472 58.1122 31.1408 173.0161 48 D 4.7735 9.1913 122.2225 52.6003 44.2253 173.7831 49 I 5.0374 8.4945 125.9081 59.6476 40.0885 174.5794 50 S 4.9089 9.0889 121.8800 56.8594 66.8188 172.5685 51 F 4.9431 8.8487 120.1185 55.9114 40.6907 175.7984 52 S 4.2080 9.1325 120.2096 60.6136 63.2670 173.6765 53 D 4.7914 7.9662 119.3215 51.5410 42.5623 173.8781 54 P 4.4531 0.0000 0.0000 65.5469 31.4392 177.4504 55 D 4.3913 9.1698 117.0757 55.2415 41.0801 175.7513 56 D 4.7651 8.4110 119.0853 52.7647 40.7549 175.2698 57 L 4.8279 8.4587 125.0608 55.0438 42.0904 177.4875 58 L 4.7103 8.1135 119.2824 55.1231 43.1096 175.8252 59 N 5.4180 8.1386 116.3184 51.5050 41.8916 173.5371 60 F 4.6591 8.0220 117.4393 56.0027 41.7911 172.9255 61 K 5.1529 8.8021 118.7156 54.5552 35.3157 175.1497 62 L 5.2166 9.0969 124.9004 53.2921 45.3393 175.1145 63 V 4.9308 9.1313 126.0167 61.1818 34.3734 173.9886 64 I 4.8194 9.2515 128.9763 60.0681 39.6449 174.4568 65 C 5.5452 8.7522 126.3861 55.7087 28.1971 171.8364 66 P 4.4588 0.0000 0.0000 62.4837 32.4957 175.9119 67 D 4.8495 8.1763 120.8023 52.2798 39.9892 174.9882 68 E 4.6132 8.2215 114.7299 57.4203 31.4333 176.0396 69 G 3.9020 8.2470 105.9878 44.6799 0.0000 174.1956 70 F 4.3782 8.2443 116.5053 60.3954 38.6386 176.3180 71 Y 4.7945 8.1561 116.5072 57.3505 38.1368 175.0948 72 K 4.0875 7.7485 121.3672 58.3867 32.7622 177.4171 73 S 4.1947 8.9721 120.0556 58.4444 61.9362 169.6568 74 G 4.0976 7.8726 108.1368 45.1210 0.0000 172.7874 75 K 4.7241 8.0443 121.3702 54.2746 34.7592 175.3433 76 F 4.7481 8.9982 126.1661 55.5723 42.5828 174.0586 77 V 4.7582 8.4759 123.8961 61.2632 33.3897 174.4752 78 F 5.4074 9.5353 126.5541 55.6485 42.9875 174.1530 79 S 5.2420 8.9139 116.2903 56.7050 65.6768 172.8918 80 F 4.8434 8.8280 120.8109 55.5217 42.4447 174.6305 81 K 4.5986 8.3569 122.6778 54.8232 34.9269 174.9808 82 V 4.1246 9.0247 129.5638 61.9153 32.2033 176.3149 83 G 4.0271 8.5604 116.8780 44.4277 0.0000 174.1462 84 Q 4.1843 8.6052 118.0547 57.9053 28.8827 177.7764 85 G 4.1097 7.9750 105.4634 45.1169 0.0000 173.0887 86 Y 4.8902 8.2579 121.9930 56.4772 39.6210 174.1192 87 P 3.7858 0.0000 0.0000 63.1269 32.0307 177.4513 88 H 4.2290 8.3351 119.4159 59.4576 30.1101 174.8175 89 D 4.7388 8.8249 120.7458 52.0798 41.8290 174.6897 90 P 2.9700 0.0000 0.0000 61.0852 31.8625 174.2163 91 P 4.3496 0.0000 0.0000 62.6902 32.8893 175.4104 92 K 4.2469 8.4408 120.2747 55.2435 33.3346 176.0907 93 V 4.9237 7.9464 124.5218 59.9966 34.1550 174.6989 94 K 4.8521 8.0678 124.8570 54.8947 36.8174 174.5795 95 C 4.4888 9.2028 124.0498 58.5295 32.6482 173.6091 96 E 4.5076 9.1168 125.1713 56.0850 29.5865 177.3126 97 T 4.4363 7.4833 116.7049 63.2719 68.5870 174.9807 *99 V 4.1250 8.1253 128.4962 62.7834 32.6657 175.0819 100 Y 4.5476 8.4130 123.0231 57.0845 37.8764 173.6266 101 H 5.1252 8.0056 125.1293 54.3251 33.2245 172.5082 102 P 4.3176 0.0000 0.0000 65.5662 31.4680 177.5427 103 N 4.9371 8.3206 112.9315 52.9553 38.8482 174.2359 104 I 5.3715 7.6337 118.5774 58.5433 40.9403 174.7872 105 D 4.8781 8.3460 124.0277 51.3546 41.3677 177.2078 106 L 3.9972 8.3789 118.8556 57.2820 41.5333 178.1165 107 E 4.0962 8.1852 117.4083 56.4862 30.1385 176.7215 108 G 4.1076 8.4488 106.8419 46.5579 0.0000 173.4041 109 N 4.5855 8.5237 118.3918 53.0915 39.0853 174.1105 110 V 4.5913 8.1366 121.6498 61.2710 33.3033 175.3234 111 C 4.2885 8.7391 129.3671 57.6526 30.1694 170.5219 112 L 4.6315 7.8237 126.0118 52.3480 43.8695 176.0845 113 N 4.6347 9.3667 123.9569 55.5822 36.8792 176.7347 114 I 4.0883 7.7685 109.8353 61.4098 37.6826 175.9754 115 L 4.3945 8.2559 123.0165 55.8158 43.4027 176.6120 116 R 4.4314 8.4046 114.1516 56.8831 31.5294 176.7915 117 E 4.1573 9.1405 126.3498 59.2315 30.9173 178.7296 118 D 4.9191 7.9872 117.4346 53.5663 41.1678 176.0038 119 W 4.5285 7.6866 128.8468 57.1741 31.4425 175.7329 120 K 4.2590 6.8690 122.9404 53.7138 35.2784 175.5470 121 P 4.5784 0.0000 0.0000 64.4015 31.3749 177.8064 122 V 3.6651 7.1762 115.8881 63.2326 31.8809 176.5793 123 L 4.1316 7.3685 121.0576 54.5089 42.2053 176.1011 124 T 5.0879 8.6315 111.1888 59.5148 73.1829 174.9920 125 I 4.0102 8.5458 120.5564 64.6851 36.9757 178.0842 126 N 4.5821 8.3423 117.4853 56.6810 38.7918 177.0026 127 S 4.2330 7.9942 116.7068 61.6954 63.0295 176.6837 128 I 3.8492 8.1882 122.3875 64.5215 36.8460 178.3315 129 I 3.7725 8.4526 121.0010 65.0133 37.1136 178.1157 130 Y 3.9054 8.3109 117.3545 60.7358 37.3833 179.0157 131 G 3.6830 8.0102 106.1534 47.7738 0.0000 175.4018 132 L 4.0304 8.4491 122.4615 57.5244 41.5223 179.7878 133 Q 4.2463 8.4218 117.6073 59.3804 28.5059 177.8732 134 Y 4.1765 8.0761 121.4259 60.4078 38.3868 177.5978 135 L 4.0476 7.7708 120.2604 57.5004 41.3919 178.9531 136 F 4.2502 7.6978 115.9963 58.8853 39.1122 177.2710 137 L 4.5143 7.5710 117.6509 55.5706 43.2254 176.6624 138 E 4.4724 7.7743 117.6482 52.8866 30.1603 172.7340 139 P 4.2678 0.0000 0.0000 61.8861 32.2395 175.5941 140 N 4.7620 8.9034 121.5215 51.0499 39.2826 173.1207 141 P 4.2830 0.0000 0.0000 65.1266 31.8043 176.8343 142 E 4.0203 8.6010 119.8368 57.2797 30.3347 176.4359 143 D 4.2987 8.5530 122.2966 53.6510 38.1920 171.1591 144 P 4.6573 0.0000 0.0000 62.7289 33.2902 176.1794 145 L 4.3065 8.9357 119.0999 55.3227 42.4147 176.8226 146 N 4.8669 7.6498 117.2652 50.6872 39.1054 174.2681 147 K 3.9166 8.5111 123.9610 59.0757 32.3697 178.0398 148 E 3.9801 8.3487 118.0092 59.7332 29.2345 179.2487 149 A 4.4296 8.2535 119.5186 54.4596 18.5541 179.0766 150 A 3.8763 7.9919 119.2173 55.4003 18.5382 179.1709 151 E 3.8217 8.7156 116.9779 60.1113 29.5305 180.0210 152 V 3.8606 8.0213 117.6394 66.0215 31.2314 178.0281 153 L 3.4409 7.6075 119.8827 57.5290 41.9014 178.5370 154 Q 4.0968 7.6684 115.8591 59.6649 29.2040 177.1844 155 N 4.5785 8.4736 118.1641 53.8220 39.4600 175.2402 156 N 4.7758 8.0345 126.6953 51.1009 39.4461 174.9688 157 R 4.0509 8.6859 124.7881 59.7789 30.0905 177.9773 158 R 4.0035 8.0443 116.8909 58.9238 30.1766 178.4548 159 L 3.8862 9.2571 121.2831 58.1055 41.9434 178.6967 160 F 4.0335 8.0189 119.9894 61.4475 39.3962 176.6636 161 E 3.4295 7.6189 118.7759 59.2328 29.2908 178.9203 162 Q 3.8978 8.0357 118.1748 58.8221 28.7363 178.1156 163 N 3.9117 8.2422 117.9143 56.0135 38.2142 177.5221 164 V 3.2443 7.1375 118.6847 65.9467 31.6256 177.5686 165 Q 4.0875 7.3088 115.6767 59.1408 28.8905 179.2054 166 R 4.0610 7.8993 118.8984 59.0012 29.9945 181.3966 167 S 3.8930 7.6156 113.1038 58.3532 62.9864 175.4505 *169 R 4.0846 8.1298 122.6884 55.8012 31.8665 176.3201 170 G 3.8658 8.0634 106.3193 46.4582 0.0000 173.1509 171 G 4.0124 7.7783 113.6363 45.6373 0.0000 170.7582 172 Y 5.1460 8.6973 116.6486 56.8111 39.4760 175.9428 173 I 4.4554 8.7106 123.3983 60.4123 41.0434 175.2232 174 G 3.8818 8.6845 116.0888 46.8871 0.0000 173.8243 175 S 4.6911 8.8551 120.5712 58.5366 63.5635 173.6479 176 T 4.6124 8.3089 119.2625 62.6139 70.1704 172.8671 177 Y 4.4561 8.4958 128.0243 56.2822 40.1609 174.2785 178 F 4.3676 8.3953 126.0833 55.3341 41.0017 175.3335 179 E 4.2177 8.5219 123.7116 55.8549 30.1699 177.0254 180 R 4.1143 8.5605 123.4671 56.6834 31.0632 176.2779 181 C 4.7018 8.2747 118.9416 57.8403 30.4353 173.7445 182 L 4.3579 7.8238 119.4782 55.0198 41.9451 177.1184 183 K 4.0215 8.7985 122.3926 56.7930 32.0111 176.6116 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 24 G 8.34 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 25 S 8.47 4.00 0.00 4.08 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 *27 A 7.61 4.09 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 28 S 8.43 4.39 0.00 4.10 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 0.00 29 A 8.60 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.99 4.34 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.40 4.00 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 32 L 7.99 4.01 0.00 1.97 1.73 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.05 3.92 0.00 1.99 2.21 0.00 3.22 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 1.47 2.02 0.00 34 I 8.27 3.89 2.09 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 1.65 1.38 1.07 0.00 0.00 35 Q 8.11 3.94 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 36 K 7.64 3.91 0.00 1.81 2.05 0.00 1.95 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.58 7.81 37 D 8.53 4.59 0.00 2.87 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.87 3.65 1.83 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.66 0.70 0.00 0.00 39 N 7.91 4.46 0.00 2.75 2.99 0.00 0.00 7.06 8.97 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 40 E 7.90 4.71 0.00 2.00 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 2.24 2.24 0.00 41 L 7.56 4.88 0.00 1.63 1.61 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 42 N 9.48 5.12 0.00 2.70 2.80 0.00 0.00 7.07 7.72 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 43 L 7.62 4.20 0.00 1.63 1.53 0.90 1.16 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 44 P 0.00 4.60 0.00 2.13 2.00 0.00 3.37 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 45 K 8.52 4.07 0.00 1.76 1.89 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.45 7.81 46 T 7.93 4.17 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 1.24 0.00 0.00 47 C 7.85 5.40 0.00 2.80 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 48 D 9.19 4.77 0.00 2.65 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.49 5.04 1.82 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 1.15 1.03 0.97 0.00 0.00 50 S 9.09 4.91 0.00 3.90 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 51 F 8.85 4.94 0.00 2.85 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 52 S 9.13 4.21 0.00 3.91 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 53 D 7.97 4.79 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.45 0.00 2.06 2.07 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 55 D 9.17 4.39 0.00 2.76 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 56 D 8.41 4.77 0.00 2.61 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 57 L 8.46 4.83 0.00 1.75 1.75 0.86 0.70 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 58 L 8.11 4.71 0.00 1.76 1.90 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.14 5.42 0.00 2.81 2.68 0.00 0.00 6.78 7.45 0.00 0.00 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 F 8.02 4.66 0.00 2.23 1.66 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 61 K 8.80 5.15 0.00 1.67 1.75 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.48 7.81 62 L 9.10 5.22 0.00 1.79 1.84 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 63 V 9.13 4.93 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 1.01 0.00 0.00 0.95 0.00 0.00 64 I 9.25 4.82 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.90 0.75 0.00 0.00 65 C 8.75 5.55 0.00 2.79 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 66 P 0.00 4.46 0.00 2.35 2.13 0.00 3.80 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.98 0.00 67 D 8.18 4.85 0.00 2.74 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 68 E 8.22 4.61 0.00 2.05 1.94 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 2.10 2.20 0.00 69 G 8.25 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 70 F 8.24 4.38 0.00 2.96 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 71 Y 8.16 4.79 0.00 3.37 3.37 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 72 K 7.75 4.09 0.00 1.93 1.78 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.41 7.81 73 S 8.97 4.19 0.00 4.18 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 74 G 7.87 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 75 K 8.04 4.72 0.00 1.50 1.40 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.16 1.24 7.81 76 F 9.00 4.75 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.48 4.76 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 0.82 0.00 0.00 0.87 0.00 0.00 78 F 9.54 5.41 0.00 3.20 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 79 S 8.91 5.24 0.00 3.82 4.16 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 80 F 8.83 4.84 0.00 1.51 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 0.00 0.00 0.00 81 K 8.36 4.60 0.00 1.71 1.51 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.46 7.81 82 V 9.02 4.12 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 0.55 0.00 0.00 0.88 0.00 0.00 83 G 8.56 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 84 Q 8.61 4.18 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 85 G 7.97 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 86 Y 8.26 4.89 0.00 3.14 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 87 P 0.00 3.79 0.00 2.19 1.52 0.00 3.70 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 88 H 8.34 4.23 0.00 3.14 3.74 0.00 5.91 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 89 D 8.82 4.74 0.00 2.74 2.51 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 90 P 0.00 2.97 0.00 1.41 0.49 0.00 3.54 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 91 P 0.00 4.35 0.00 1.94 1.83 0.00 2.93 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.95 0.00 92 K 8.44 4.25 0.00 1.57 1.64 0.00 1.53 0.00 0.00 1.47 0.00 0.00 2.71 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.43 7.81 93 V 7.95 4.92 1.71 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 0.81 0.00 0.00 -0.22 0.00 0.00 94 K 8.07 4.85 0.00 1.63 1.58 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.44 7.81 95 C 9.20 4.49 0.00 3.00 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 96 E 9.12 4.51 0.00 1.74 1.90 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 2.23 2.21 0.00 97 T 7.48 4.44 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 1.23 0.00 0.00 *99 V 8.13 4.13 2.50 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 0.80 0.00 0.00 1.19 0.00 0.00 100 Y 8.41 4.55 0.00 1.88 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 0.00 101 H 8.01 5.13 0.00 3.13 2.96 0.00 5.97 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.32 0.00 2.12 1.96 0.00 3.23 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 1.86 1.89 0.00 103 N 8.32 4.94 0.00 2.64 2.74 0.00 0.00 6.88 7.29 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 0.00 104 I 7.63 5.37 1.81 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 0.90 1.28 0.97 0.00 0.00 105 D 8.35 4.88 0.00 2.90 2.80 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 0.00 0.00 0.00 106 L 8.38 4.00 0.00 1.62 1.69 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.19 4.10 0.00 1.89 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 2.24 2.34 0.00 108 G 8.45 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 0.00 109 N 8.52 4.59 0.00 3.03 2.72 0.00 0.00 6.33 7.27 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 0.00 110 V 8.14 4.59 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 0.72 0.00 0.00 1.08 0.00 0.00 111 C 8.74 4.29 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.82 4.63 0.00 1.65 1.44 1.00 0.53 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 0.00 113 N 9.37 4.63 0.00 2.93 3.12 0.00 0.00 6.49 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 0.00 114 I 7.77 4.09 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.96 0.00 0.00 115 L 8.26 4.39 0.00 1.62 1.72 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.40 4.43 0.00 1.86 1.63 0.00 3.16 0.00 0.00 3.20 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 117 E 9.14 4.16 0.00 2.14 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 0.00 2.38 2.29 0.00 118 D 7.99 4.92 0.00 2.84 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 0.00 119 W 7.69 4.53 0.00 3.60 3.11 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 0.00 120 K 6.87 4.26 0.00 1.38 1.35 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.24 7.81 121 P 0.00 4.58 0.00 1.91 2.09 0.00 3.53 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 122 V 7.18 3.67 1.94 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 0.53 0.00 0.00 0.84 0.00 0.00 123 L 7.37 4.13 0.00 0.68 1.55 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.63 5.09 4.41 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 1.34 0.00 0.00 125 I 8.55 4.01 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.84 0.92 0.00 0.00 126 N 8.34 4.58 0.00 2.94 2.93 0.00 0.00 7.23 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 0.00 127 S 7.99 4.23 0.00 4.24 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 0.00 128 I 8.19 3.85 2.36 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 1.80 1.12 0.98 0.00 0.00 129 I 8.45 3.77 2.06 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 1.58 0.93 0.79 0.00 0.00 130 Y 8.31 3.91 0.00 3.28 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 0.00 131 G 8.01 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.45 4.03 0.00 1.69 1.33 0.60 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.42 4.25 0.00 2.37 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.12 2.66 0.00 134 Y 8.08 4.18 0.00 3.34 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.77 4.05 0.00 1.27 1.22 0.68 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 136 F 7.70 4.25 0.00 3.06 3.11 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 0.00 137 L 7.57 4.51 0.00 1.43 1.61 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 138 E 7.77 4.47 0.00 1.16 1.62 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 1.91 2.33 0.00 139 P 0.00 4.27 0.00 1.93 1.82 0.00 3.79 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 140 N 8.90 4.76 0.00 2.63 2.71 0.00 0.00 7.20 8.39 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 0.00 141 P 0.00 4.28 0.00 2.14 2.04 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 142 E 8.60 4.02 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 2.33 2.23 0.00 143 D 8.55 4.30 0.00 2.86 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 0.00 144 P 0.00 4.66 0.00 2.24 2.18 0.00 3.73 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 1.93 2.02 0.00 145 L 8.94 4.31 0.00 1.59 1.75 1.00 0.06 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 0.00 146 N 7.65 4.87 0.00 2.72 2.71 0.00 0.00 7.23 6.70 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 0.00 147 K 8.51 3.92 0.00 1.85 1.86 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.54 7.81 148 E 8.35 3.98 0.00 2.19 2.15 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 2.50 2.52 0.00 149 A 8.25 4.43 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 0.00 150 A 7.99 3.88 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.72 3.82 0.00 2.17 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 2.34 2.49 0.00 152 V 8.02 3.86 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 1.21 0.00 0.00 1.14 0.00 0.00 153 L 7.61 3.44 0.00 0.64 1.50 0.33 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 7.67 4.10 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.58 0.00 155 N 8.47 4.58 0.00 2.74 2.87 0.00 0.00 6.86 8.03 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 0.00 156 N 8.03 4.78 0.00 2.67 2.70 0.00 0.00 6.96 7.54 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 0.00 157 R 8.69 4.05 0.00 2.01 2.01 0.00 3.44 0.00 0.00 3.43 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 158 R 8.04 4.00 0.00 2.03 1.98 0.00 3.23 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 159 L 9.26 3.89 0.00 1.77 1.83 0.88 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 160 F 8.02 4.03 0.00 3.26 3.04 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 0.00 161 E 7.62 3.43 0.00 2.07 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 2.32 2.49 0.00 162 Q 8.04 3.90 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 163 N 8.24 3.91 0.00 2.30 1.72 0.00 0.00 6.67 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 0.00 164 V 7.14 3.24 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 0.37 0.00 0.00 -0.05 0.00 0.00 165 Q 7.31 4.09 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 166 R 7.90 4.06 0.00 1.63 1.88 0.00 3.26 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 167 S 7.62 3.89 0.00 3.49 3.32 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 *169 R 8.13 4.08 0.00 1.96 2.07 0.00 3.15 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.96 0.00 170 G 8.06 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 0.00 171 G 7.78 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 0.00 172 Y 8.70 5.15 0.00 3.00 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 0.00 173 I 8.71 4.46 1.89 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.46 0.70 0.00 0.00 174 G 8.68 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 0.00 175 S 8.86 4.69 0.00 4.05 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 0.00 176 T 8.31 4.61 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 177 Y 8.50 4.46 0.00 1.98 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 0.00 178 F 8.40 4.37 0.00 2.85 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 0.00 179 E 8.52 4.22 0.00 1.84 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 2.45 2.26 0.00 180 R 8.56 4.11 0.00 1.88 1.84 0.00 3.25 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 181 C 8.27 4.70 0.00 2.94 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 0.00 182 L 7.82 4.36 0.00 1.61 1.60 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 183 K 8.80 4.02 0.00 1.57 1.64 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.