NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 Y 4.7610 8.1449 118.3242 57.9137 39.4163 174.9084 16 D 4.1715 8.5513 125.0323 56.3515 41.6150 176.3854 17 F 4.6113 8.1235 116.3778 55.4306 43.6963 173.1407 18 L 4.8178 8.3250 125.4046 53.2381 43.7393 175.2698 19 F 5.4478 8.9754 124.8281 55.7201 42.9475 174.1994 20 K 5.0240 9.5925 122.7396 55.0313 33.7666 175.5232 21 L 5.5544 9.7573 126.2481 52.8239 45.6417 175.8996 22 V 5.1321 8.6854 120.4407 60.1100 34.6730 174.2267 23 L 5.0517 8.9204 124.3842 53.5866 42.9820 176.4646 24 V 4.1214 9.6686 116.5868 58.5688 36.0533 175.3826 25 G 3.9057 6.6609 112.9178 44.3133 0.0000 171.9240 26 D 4.8280 8.0729 119.1504 53.6893 41.4797 176.1870 27 A 3.9699 8.5494 123.8081 54.4887 18.5699 177.9536 28 S 4.1536 8.9342 114.8616 58.7009 60.8150 170.7782 29 V 3.7527 7.3319 111.4220 62.7831 31.6135 177.1473 30 G 4.2782 8.4449 108.8090 45.5565 0.0000 175.6862 31 K 3.9353 8.4297 121.2086 59.5537 31.9348 179.2165 32 T 4.3679 7.7519 116.6834 66.4617 68.4046 176.3386 33 C 4.2052 8.1270 118.1253 62.8304 28.2132 176.1184 34 V 3.6598 8.2578 120.2161 66.1021 31.0665 178.3493 35 V 3.7989 7.9310 117.8634 66.1064 31.3851 177.8634 36 Q 4.0060 8.4826 119.6674 59.0073 28.8103 177.9511 37 R 4.3589 8.7213 121.6661 58.8870 29.9198 178.2817 38 F 4.2709 8.0640 119.0565 61.1657 39.4705 176.7822 39 K 3.7898 8.3281 118.5127 59.2690 32.2180 178.1192 40 T 4.3930 8.2239 107.4231 60.8992 69.8401 175.6217 41 G 3.8882 8.4438 109.1977 45.3674 0.0000 172.6530 42 A 4.7242 7.8843 121.0659 50.0430 22.2720 175.5182 43 F 4.9011 8.5903 121.2365 56.6813 40.5679 174.2633 *54 D 4.4457 8.5325 128.2947 53.4023 43.4626 175.0123 55 F 4.8520 7.7460 116.5944 55.9498 40.9350 174.6968 56 T 4.8581 9.2805 121.3018 61.8052 71.2639 173.7390 57 M 5.4176 8.5018 120.6340 53.5986 34.4788 174.6113 58 K 4.5806 8.9148 121.2677 55.2503 36.2252 174.6852 59 T 5.1271 8.5196 122.8111 61.9447 70.8983 173.5171 60 L 4.9626 9.2541 124.5499 53.0078 46.4540 175.3047 61 E 5.0237 8.7801 119.5447 55.0420 30.9925 176.2614 62 I 4.3769 8.2283 122.2682 60.8186 39.8040 175.1842 *66 R 4.5285 7.8356 120.1658 56.1410 31.4626 174.3436 67 V 4.7264 8.9495 127.2751 59.7314 34.1220 174.5959 68 K 4.4026 8.6469 127.9326 55.3630 33.6015 175.1034 69 L 5.2047 9.1733 127.8975 53.1998 44.1833 175.4140 70 Q 4.9871 9.1514 124.2629 55.1215 30.6087 174.9471 71 I 5.2002 9.1842 125.2910 59.4394 40.4662 174.5546 72 W 4.8937 9.5729 128.5112 55.0372 30.6232 176.4543 73 D 5.1405 8.5858 125.3540 53.4411 39.2565 176.5919 74 T 4.1158 7.7173 109.0445 62.1330 70.4561 175.5124 75 A 4.1346 7.7187 125.2339 53.5523 18.8295 177.7341 76 G 3.9529 9.1997 108.7628 45.3097 0.0000 173.3887 77 Q 4.4697 7.5759 118.2355 53.6798 29.8475 176.0168 78 E 4.0459 8.7441 125.5935 58.8331 29.9191 179.0289 79 R 3.9072 7.8662 114.1199 58.1601 29.5505 176.9646 80 F 5.1371 8.1940 116.2709 57.2300 40.3877 177.1860 81 R 3.9954 8.1321 122.0922 60.0002 29.8919 178.4490 82 T 4.3796 7.7780 110.1400 64.0399 69.0792 176.4434 83 I 3.7663 7.8534 122.1791 64.6482 37.2344 178.3110 84 T 4.0150 8.6906 116.7385 66.7802 68.1502 176.6570 85 Q 2.9766 7.4790 119.3787 58.7101 28.5049 179.1128 86 S 4.0214 7.7341 113.9424 61.4095 62.4293 175.5448 87 Y 3.8792 7.8481 122.2762 60.6872 37.8773 177.4074 88 Y 4.3169 7.7855 117.7946 61.4194 37.7288 178.9904 89 R 4.1129 7.8058 117.5472 58.7504 30.2360 178.2628 90 S 4.4395 7.4669 112.1956 57.5246 64.0227 174.5637 91 A 3.7088 6.4559 124.8318 52.1444 18.6970 177.2610 92 N 4.5849 9.0880 120.1895 55.3668 40.2207 175.5586 93 G 4.4561 7.7141 103.9401 44.7003 0.0000 171.8499 94 A 5.2458 9.1146 124.7429 49.8684 22.5752 174.9507 95 I 4.4323 8.9187 123.7391 59.6151 39.3543 174.7580 96 L 4.8671 8.6858 128.2606 53.3500 42.9042 175.6611 97 A 5.3044 9.2199 126.4152 50.2233 22.1316 174.5963 98 Y 4.8844 8.7378 118.9660 55.3019 42.6982 173.3054 99 D 5.3282 8.9584 119.0237 52.2504 42.8803 177.2106 100 I 3.9875 8.6985 120.3972 63.4033 37.7704 177.3214 101 T 4.7301 8.4911 109.5599 60.7257 69.3157 174.7493 102 K 4.4276 8.1117 123.8399 53.7772 33.3935 176.0976 103 R 4.0383 9.2508 127.7488 59.2247 30.0113 177.9313 104 S 4.2107 8.3560 113.9670 61.8672 62.3980 176.7427 105 S 4.8735 7.8724 117.5876 60.7106 63.0521 175.9933 106 F 4.1073 8.3335 123.8630 61.0151 39.0233 177.0304 107 L 3.9437 7.8898 117.6672 57.7628 41.6580 179.3938 108 S 4.2339 8.3469 115.1398 60.8690 62.6084 176.4464 109 V 3.7308 7.5121 121.5947 65.9522 31.1722 176.3544 110 P 3.5854 0.0000 0.0000 65.5595 31.0945 178.3650 111 H 4.0567 8.1136 115.3003 58.3626 28.4614 177.8385 112 W 4.3079 7.8949 120.3052 59.8844 28.9501 178.3304 113 I 3.6045 7.9611 119.9795 64.3340 36.5006 178.0593 114 E 3.8590 7.9440 119.9532 59.3369 29.5523 178.4498 115 D 4.4340 8.0840 117.9958 57.2148 41.3562 178.2688 116 V 2.9354 8.1045 119.3839 65.8507 31.2878 178.2575 117 R 4.0052 8.0441 114.8128 59.0329 29.2703 178.0543 118 K 3.7857 7.8816 119.5949 59.2698 32.0903 177.3654 119 Y 4.4855 7.4041 113.8258 58.6695 39.0566 176.4154 120 A 4.4043 8.0243 121.5559 51.1691 19.2744 177.4944 121 G 4.0056 8.5854 108.3253 44.7496 0.0000 173.7609 122 S 4.2567 8.5201 112.5033 60.4770 62.8585 175.8513 123 N 4.0973 8.0271 118.4490 54.8206 37.4826 174.4285 124 I 4.1494 6.9256 120.3385 60.8134 38.8596 175.3368 125 V 3.9827 8.6842 130.1180 62.3890 32.8005 174.5571 126 Q 5.1854 8.6250 126.1803 53.9959 32.2190 174.1783 127 L 5.0239 8.4870 124.0258 53.1329 46.0035 174.5241 128 L 5.1948 8.8464 127.9717 53.3733 44.2231 174.8333 129 I 4.8340 8.8911 120.2631 59.0179 40.6809 174.7275 130 G 3.0380 8.9581 114.1421 44.4637 0.0000 172.6566 131 N 5.0408 8.5717 126.0768 51.5030 41.6641 174.2791 132 K 4.1415 8.4012 117.2125 57.5167 28.4903 178.9716 133 S 4.2044 8.1757 115.2818 60.7928 63.2885 175.2438 134 D 4.4093 8.0037 119.7659 55.5543 39.6676 176.2684 135 L 4.4883 7.8128 124.2634 54.7300 41.7974 179.2703 136 S 4.1848 8.1073 117.5212 61.2069 62.5949 178.4187 137 E 4.1254 8.1227 116.5960 58.1530 29.9570 177.2813 138 L 4.5125 7.8694 119.2656 54.1322 41.9759 175.8657 139 R 4.3082 7.5102 120.2837 57.1614 30.0275 176.0760 140 E 4.6048 9.2165 123.6382 55.8853 30.9938 176.0281 141 V 4.3281 7.4376 118.5483 60.1379 34.5517 175.5318 142 S 4.4235 9.7045 123.5586 57.7958 65.2656 175.3191 143 L 4.0010 8.3991 124.4543 58.0434 41.8403 179.2722 144 A 3.9897 7.9145 120.8882 55.0719 18.4617 179.2593 145 E 3.9662 8.2183 115.8194 59.0238 29.6415 179.2246 146 A 4.2399 7.8255 121.8124 55.4616 18.5424 179.6025 147 Q 3.9902 8.3935 116.7933 59.1363 28.7545 179.0759 148 S 4.1163 8.3874 114.3827 61.2253 62.3852 176.0228 149 L 4.0148 8.2907 122.8961 58.0665 41.8036 178.6896 150 A 4.0776 8.3280 120.9129 55.1448 18.3131 179.1891 151 E 3.8409 8.2335 117.7460 59.6973 29.5380 178.2988 152 H 3.9432 8.0079 116.7999 59.3764 29.8840 175.8107 153 Y 4.4361 7.8417 115.1222 56.7911 38.0185 174.9631 154 D 4.4325 7.9811 118.3172 55.2233 39.2354 174.1351 155 I 4.0290 7.9016 118.7395 60.7673 38.0782 176.0324 156 L 4.2308 8.3411 127.7990 57.8569 42.1517 176.4733 157 C 4.7982 7.5614 110.1627 57.6978 32.7089 171.6946 158 A 5.2668 8.6475 120.6494 50.3335 20.8677 175.6741 159 I 4.7483 8.9464 122.3470 59.6075 42.1616 174.0111 160 E 5.1570 8.7181 122.6638 54.9164 31.5633 175.4870 161 T 4.8637 8.8299 112.9049 60.0068 73.3646 172.9154 162 S 4.4597 8.8976 115.9532 56.6440 64.6545 174.4759 163 A 4.0329 8.6390 131.8180 55.0121 18.5904 178.6071 164 K 2.4800 7.6392 116.3049 58.5721 32.1772 177.1354 165 D 4.6150 7.7131 114.9248 52.4950 39.5974 177.3583 166 S 3.9933 8.0182 114.0015 58.4015 62.9406 169.6910 167 S 4.0525 8.1444 117.1206 60.1035 62.3007 174.0958 168 N 4.5270 9.0536 123.2183 54.2956 36.1809 176.3875 169 V 3.5663 7.7252 119.5283 66.1535 31.5874 177.6187 170 E 4.3094 8.5181 121.0842 60.1462 29.4954 179.0369 171 E 4.0018 8.2908 117.5413 60.9320 29.6599 180.4754 172 A 4.0170 8.0929 121.9795 55.3338 18.3313 179.9148 173 F 3.8525 7.6196 115.9265 60.3163 38.8619 177.7798 174 L 4.0198 8.4163 120.5078 58.2605 41.9524 179.1971 175 R 3.9392 8.5309 118.3660 59.1948 29.9603 179.3078 176 V 3.4308 7.5600 117.6317 65.9663 31.5018 178.0521 177 A 3.8926 8.2370 120.7662 55.3242 18.1833 179.8074 178 T 3.7715 8.4576 114.7803 66.5924 68.5274 176.5457 179 E 3.8280 7.9864 121.1612 59.2910 29.5797 178.9489 180 L 3.7291 7.5810 118.9359 57.7005 41.2531 179.5821 181 I 3.1976 7.5182 119.0125 64.1702 37.0140 177.7147 182 M 4.1045 7.6133 118.1268 58.9527 32.1434 178.0107 183 R 3.9897 7.6052 116.6771 58.8568 30.3579 176.5138 184 H 4.6656 8.3328 119.2781 55.9006 29.1352 173.9880 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 15 Y 8.14 4.76 0.00 3.02 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 16 D 8.55 4.17 0.00 2.72 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 0.00 0.00 0.00 0.00 17 F 8.12 4.61 0.00 2.70 1.84 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 18 L 8.33 4.82 0.00 1.48 1.44 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.98 5.45 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 20 K 9.59 5.02 0.00 1.56 1.65 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.44 7.81 21 L 9.76 5.55 0.00 1.69 1.64 1.14 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.69 5.13 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.29 0.00 0.00 23 L 8.92 5.05 0.00 1.72 1.61 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 V 9.67 4.12 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 0.85 0.00 0.00 0.65 0.00 0.00 25 G 6.66 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 26 D 8.07 4.83 0.00 2.98 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.55 3.97 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 28 S 8.93 4.15 0.00 4.07 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.33 3.75 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 0.86 0.00 0.00 0.99 0.00 0.00 30 G 8.44 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 31 K 8.43 3.94 0.00 1.79 1.85 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.49 7.81 32 T 7.75 4.37 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 33 C 8.13 4.21 0.00 3.27 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 34 V 8.26 3.66 2.34 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 1.10 0.00 0.00 0.97 0.00 0.00 35 V 7.93 3.80 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 1.06 0.00 0.00 1.18 0.00 0.00 36 Q 8.48 4.01 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 37 R 8.72 4.36 0.00 2.11 2.27 0.00 3.31 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 38 F 8.06 4.27 0.00 3.02 3.06 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 39 K 8.33 3.79 0.00 1.74 1.86 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.43 7.81 40 T 8.22 4.39 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 1.19 0.00 0.00 41 G 8.44 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 0.00 0.00 0.00 42 A 7.88 4.72 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 F 8.59 4.90 0.00 3.04 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 D 8.53 4.45 0.00 1.97 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.75 4.85 0.00 2.70 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 56 T 9.28 4.86 4.45 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 0.00 0.00 0.00 1.24 0.00 0.00 57 M 8.50 5.42 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 58 K 8.91 4.58 0.00 1.69 1.59 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.60 1.20 7.81 59 T 8.52 5.13 4.32 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 1.43 0.00 0.00 60 L 9.25 4.96 0.00 1.70 1.61 0.92 0.82 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 61 E 8.78 5.02 0.00 2.23 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 2.21 1.86 0.00 62 I 8.23 4.38 1.96 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 1.38 0.70 0.96 0.00 0.00 *66 R 7.84 4.53 0.00 2.09 2.12 0.00 3.23 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.21 0.00 67 V 8.95 4.73 2.27 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 0.94 0.00 0.00 1.14 0.00 0.00 68 K 8.65 4.40 0.00 0.79 1.09 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.15 0.99 7.81 69 L 9.17 5.20 0.00 1.78 1.72 1.20 1.11 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 70 Q 9.15 4.99 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.21 0.00 71 I 9.18 5.20 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.85 1.15 0.00 0.00 72 W 9.57 4.89 0.00 3.14 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 73 D 8.59 5.14 0.00 2.71 2.42 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 74 T 7.72 4.12 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 0.01 0.00 0.00 75 A 7.72 4.13 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 9.20 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 0.00 0.00 0.00 77 Q 7.58 4.47 0.00 2.32 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 78 E 8.74 4.05 0.00 2.05 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 2.38 2.36 0.00 79 R 7.87 3.91 0.00 1.68 1.83 0.00 2.59 0.00 0.00 2.88 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.50 0.00 80 F 8.19 5.14 0.00 3.18 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 81 R 8.13 4.00 0.00 1.99 2.12 0.00 3.27 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 82 T 7.78 4.38 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 83 I 7.85 3.77 2.24 0.00 0.00 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 1.77 0.95 1.18 0.00 0.00 84 T 8.69 4.02 4.31 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 1.11 0.00 0.00 85 Q 7.48 2.98 0.00 1.71 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 86 S 7.73 4.02 0.00 3.88 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 87 Y 7.85 3.88 0.00 2.43 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 88 Y 7.79 4.32 0.00 3.24 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 89 R 7.81 4.11 0.00 1.89 2.02 0.00 3.20 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 90 S 7.47 4.44 0.00 3.50 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 91 A 6.46 3.71 0.98 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 92 N 9.09 4.58 0.00 2.80 2.77 0.00 0.00 6.43 8.33 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 93 G 7.71 4.46 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 0.00 0.00 0.00 94 A 9.11 5.25 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 95 I 8.92 4.43 1.68 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.53 0.66 0.00 0.00 96 L 8.69 4.87 0.00 1.58 1.55 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 97 A 9.22 5.30 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 98 Y 8.74 4.88 0.00 3.21 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 99 D 8.96 5.33 0.00 2.76 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 0.00 100 I 8.70 3.99 1.87 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 1.49 0.83 0.85 0.00 0.00 101 T 8.49 4.73 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 102 K 8.11 4.43 0.00 1.91 1.78 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.40 1.40 7.81 103 R 9.25 4.04 0.00 2.04 1.97 0.00 3.39 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 104 S 8.36 4.21 0.00 4.13 4.18 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 0.00 105 S 7.87 4.87 0.00 4.25 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.33 4.11 0.00 2.90 3.24 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 0.00 107 L 7.89 3.94 0.00 1.86 1.73 0.97 1.04 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 0.00 108 S 8.35 4.23 0.00 4.26 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 0.00 109 V 7.51 3.73 1.82 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 0.99 0.00 0.00 1.01 0.00 0.00 110 P 0.00 3.59 0.00 1.96 1.85 0.00 3.65 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 1.95 1.95 0.00 111 H 8.11 4.06 0.00 3.10 3.10 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 7.89 4.31 0.00 3.53 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 0.00 113 I 7.96 3.60 1.58 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 1.28 0.66 0.74 0.00 0.00 114 E 7.94 3.86 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 115 D 8.08 4.43 0.00 3.06 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 0.00 116 V 8.10 2.94 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 0.52 0.00 0.00 0.39 0.00 0.00 117 R 8.04 4.01 0.00 2.21 2.02 0.00 3.26 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 118 K 7.88 3.79 0.00 1.70 2.00 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.30 1.11 7.81 119 Y 7.40 4.49 0.00 3.43 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 0.00 120 A 8.02 4.40 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.59 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 0.00 122 S 8.52 4.26 0.00 4.00 4.12 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 0.00 123 N 8.03 4.10 0.00 2.96 3.11 0.00 0.00 5.92 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 0.00 124 I 6.93 4.15 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.86 0.89 0.00 0.00 125 V 8.68 3.98 1.95 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 0.86 0.00 0.00 0.82 0.00 0.00 126 Q 8.63 5.19 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 127 L 8.49 5.02 0.00 1.64 1.31 0.85 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.85 5.19 0.00 1.85 1.72 1.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.89 4.83 1.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.47 0.75 0.00 0.00 130 G 8.96 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 0.00 0.00 0.00 131 N 8.57 5.04 0.00 2.67 2.72 0.00 0.00 7.14 6.83 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 0.00 132 K 8.40 4.14 0.00 2.00 1.93 0.00 2.00 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.38 7.81 133 S 8.18 4.20 0.00 3.91 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 0.00 134 D 8.00 4.41 0.00 2.74 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 0.00 135 L 7.81 4.49 0.00 1.84 1.68 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 136 S 8.11 4.18 0.00 3.65 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 0.00 137 E 8.12 4.13 0.00 2.06 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 2.27 2.27 0.00 138 L 7.87 4.51 0.00 1.88 1.70 0.93 0.58 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 0.00 139 R 7.51 4.31 0.00 1.82 1.89 0.00 3.19 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 140 E 9.22 4.60 0.00 1.94 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 2.24 2.47 0.00 141 V 7.44 4.33 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 -0.30 0.00 0.00 0.83 0.00 0.00 142 S 9.70 4.42 0.00 3.95 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 0.00 143 L 8.40 4.00 0.00 1.89 1.70 0.95 1.05 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 0.00 144 A 7.91 3.99 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 0.00 145 E 8.22 3.97 0.00 2.31 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 2.27 1.87 0.00 146 A 7.83 4.24 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 0.00 147 Q 8.39 3.99 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 148 S 8.39 4.12 0.00 3.91 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 0.00 149 L 8.29 4.01 0.00 2.00 1.96 0.42 0.86 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 0.00 150 A 8.33 4.08 1.46 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 0.00 0.00 151 E 8.23 3.84 0.00 2.08 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 0.00 2.29 2.31 0.00 152 H 8.01 3.94 0.00 3.14 3.27 0.00 5.80 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 7.84 4.44 0.00 3.02 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 7.98 4.43 0.00 2.80 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 0.00 155 I 7.90 4.03 1.92 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 1.28 0.77 0.97 0.00 0.00 156 L 8.34 4.23 0.00 1.66 1.81 0.88 0.64 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 0.00 157 C 7.56 4.80 0.00 2.98 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 0.00 158 A 8.65 5.27 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.95 4.75 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.86 0.87 0.00 0.00 160 E 8.72 5.16 0.00 1.77 1.81 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 2.17 2.25 0.00 161 T 8.83 4.86 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 162 S 8.90 4.46 0.00 3.84 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.64 4.03 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 0.00 164 K 7.64 2.48 0.00 0.84 1.43 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.13 0.82 7.81 165 D 7.71 4.62 0.00 2.77 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 0.00 166 S 8.02 3.99 0.00 4.28 4.31 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 0.00 167 S 8.14 4.05 0.00 3.91 3.81 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 0.00 168 N 9.05 4.53 0.00 3.03 2.90 0.00 0.00 6.75 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 0.00 169 V 7.73 3.57 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1.05 0.00 0.00 170 E 8.52 4.31 0.00 2.29 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 2.54 2.69 0.00 171 E 8.29 4.00 0.00 2.01 1.95 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 2.32 1.95 0.00 172 A 8.09 4.02 1.07 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 0.00 173 F 7.62 3.85 0.00 2.56 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 0.00 174 L 8.42 4.02 0.00 2.10 1.79 1.04 0.93 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 0.00 175 R 8.53 3.94 0.00 1.98 1.91 0.00 3.13 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 176 V 7.56 3.43 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 0.89 0.00 0.00 0.82 0.00 0.00 177 A 8.24 3.89 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 T 8.46 3.77 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 1.19 0.00 0.00 179 E 7.99 3.83 0.00 2.09 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 2.22 2.28 0.00 180 L 7.58 3.73 0.00 0.79 0.13 0.12 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 181 I 7.52 3.20 1.75 0.00 0.00 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 0.80 0.58 0.78 0.00 0.00 182 M 7.61 4.10 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.72 0.00 183 R 7.61 3.99 0.00 1.79 1.72 0.00 3.06 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 184 H 8.33 4.67 0.00 3.42 3.53 0.00 5.88 0.00 0.00 0.00 0.00 6.91 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.