NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4556 8.3049 120.3274 55.1079 33.3398 174.5544 2 K 4.5270 8.5034 122.1955 54.2977 35.2780 173.8043 3 T 4.6541 8.1609 116.9746 61.6884 72.1168 173.5273 4 I 4.6102 8.2283 118.4107 58.8936 40.5325 174.3940 5 E 4.5982 8.6588 121.0377 54.7860 31.1068 176.0291 6 V 4.4512 8.0680 117.0974 59.1432 34.3859 175.8379 7 D 4.6433 8.2894 122.5202 53.1114 41.3776 177.2024 8 D 4.3908 8.5350 119.3194 57.4360 40.8871 178.7444 9 E 3.9174 8.1866 119.1858 59.3904 30.0321 178.4310 10 L 4.0544 9.0775 120.6363 58.0667 41.8773 178.5261 11 Y 4.0724 7.9708 119.2579 60.9692 38.8880 177.7565 12 S 4.0228 8.0713 115.7974 61.6601 62.6289 176.1145 13 Y 4.0855 7.7361 120.9988 60.8635 38.9483 177.6933 14 I 3.6240 7.7197 119.9071 64.4610 37.2893 178.2251 15 A 3.8160 7.9750 121.9056 55.0675 17.9082 179.6405 16 S 4.1873 7.7479 111.2709 60.9080 63.2604 175.3129 17 H 4.5018 7.4346 118.4809 54.9291 28.5926 175.1681 18 T 3.9564 7.1054 118.9859 63.8679 68.1286 173.8285 19 K 4.1960 9.0862 128.0880 57.4047 32.9930 176.4379 20 H 5.0143 7.3235 112.3967 52.9779 31.5544 173.2886 21 I 3.6814 7.9885 121.1742 63.1369 37.2117 176.9642 22 G 3.9802 8.9047 112.9583 45.0824 0.0000 173.4111 23 E 4.3251 7.2599 117.4511 55.8754 30.5771 177.1903 24 S 4.6569 8.7325 116.1186 57.1935 66.1992 175.4308 25 R 3.8625 8.4662 121.0771 59.6215 29.6950 179.2968 26 S 4.0686 8.0558 114.1778 61.8529 63.0201 175.9277 27 D 4.4320 7.8405 120.8208 57.7957 40.4179 179.0104 28 I 3.6864 7.7597 119.0003 64.5183 37.4760 178.2598 29 L 4.1059 8.3139 119.8177 58.0488 41.5048 179.7445 30 R 4.0563 8.1043 117.9106 59.3922 29.8588 179.1517 31 R 3.9783 7.9833 118.0371 59.5821 29.9511 177.9325 32 M 4.2453 7.9042 115.8190 56.4539 32.2255 177.2069 33 L 4.6516 7.5767 116.9909 53.2467 43.5185 176.7448 34 K 3.8910 7.5067 116.4387 56.8825 29.9777 175.3214 35 F 4.3132 7.9606 121.7029 57.1973 39.2185 175.2611 *60 K 4.1153 8.3099 127.1865 55.0600 33.0975 174.0971 61 P 4.3613 0.0000 0.0000 63.0091 31.6811 176.0238 62 V 4.5088 7.8305 119.5483 59.3487 34.5806 175.3569 63 K 4.1598 8.3244 120.2179 56.2543 32.6704 177.7621 64 T 4.1450 8.2318 111.6678 61.4274 70.9040 175.5624 65 I 3.5391 8.1353 122.2168 64.4555 37.0465 178.8423 66 K 3.9849 7.9238 118.7485 59.6006 31.9896 178.9523 67 D 4.3951 8.1113 119.1314 57.1911 40.8147 179.0031 68 K 4.0258 8.3646 119.3376 59.6032 32.1348 179.5621 69 V 3.8189 8.3334 118.8853 65.8787 31.3967 177.9577 70 R 3.8528 8.5198 118.6830 59.4991 29.9855 178.1885 71 A 4.0082 8.0881 120.4580 55.6818 18.3288 179.5915 72 M 3.9350 8.0372 116.7448 58.3837 32.1034 179.2776 73 R 3.8607 8.0757 118.2388 59.2689 30.2229 178.7004 74 E 3.9458 8.7116 118.7137 59.3968 29.2273 179.2975 75 L 3.8478 7.4518 118.9529 58.2747 42.2800 178.7021 76 L 3.5938 7.4892 117.2805 57.3904 41.5678 178.9013 77 L 4.3513 7.4649 116.8509 54.9219 42.4040 177.4772 78 S 4.3252 7.4151 114.2182 58.4607 63.7643 175.3240 79 D 4.4252 8.7970 121.8795 57.6212 40.1409 178.3052 80 E 3.9295 8.3687 119.3846 59.9113 29.1962 178.3168 81 Y 4.1377 7.8872 117.7388 60.5416 38.9263 177.2604 82 A 4.0891 7.5363 119.7005 55.0812 18.5396 179.2056 83 E 4.1097 8.1540 116.3717 58.1322 29.5976 177.9101 84 Q 3.9960 7.0354 117.5006 56.0361 29.1601 176.6164 85 K 4.0666 8.7925 123.1021 58.9344 32.6199 177.2744 86 R 4.6273 7.4709 115.3359 53.2890 33.8805 175.8411 87 A 3.9560 8.6111 120.7162 55.9136 18.1221 180.1801 88 V 3.6617 7.9042 116.1915 65.4505 31.0483 178.2295 89 N 4.3738 8.3153 116.7026 56.0749 38.3753 177.6470 90 R 3.8594 7.8820 118.9528 59.1534 30.3720 178.2627 91 F 4.2454 8.8278 120.8317 61.9881 39.1845 177.2377 92 M 3.9110 8.2905 117.6549 58.4274 31.8418 178.5927 93 L 3.9483 8.0047 120.3328 58.0803 42.0750 179.0400 94 L 3.9703 8.3964 119.5068 57.6036 41.4623 179.4879 95 L 4.0370 7.5875 118.4953 57.9222 41.6815 179.3578 96 S 4.0325 8.1318 115.3572 62.1975 62.5962 177.2473 97 T 3.8572 7.5949 116.4747 66.5317 68.5650 176.3866 98 L 4.2020 8.1043 121.1423 58.1942 41.7922 179.0420 99 Y 3.6272 8.0279 119.8173 60.4746 38.3871 178.2297 100 S 4.1689 7.7827 113.9367 60.9245 63.1451 176.0940 101 L 4.4282 7.5127 122.3043 56.5708 42.1667 176.5759 102 D 4.2684 7.5833 117.4447 52.0627 42.6129 175.2143 103 A 3.2850 8.3034 128.4912 54.8299 18.4137 178.6457 104 Q 3.9606 8.1294 115.6356 59.2209 28.8542 178.9824 105 A 3.9533 8.1959 121.3432 55.1630 18.4723 179.1084 106 F 3.8476 8.4245 119.0428 61.5123 39.4032 176.8264 107 A 4.0293 8.5501 120.4585 55.6019 17.1455 179.4626 108 E 3.8714 8.3533 116.4009 59.5424 29.3755 179.5460 109 A 4.1011 8.2267 120.8088 54.0002 18.5804 178.7478 110 T 3.7478 7.0486 113.1317 64.6006 69.3532 176.6138 111 E 3.9993 8.1241 121.1850 58.4753 29.8212 177.3133 112 S 4.4306 7.3112 108.6010 57.5097 63.1801 173.1884 113 L 4.3060 7.4399 123.7416 54.2180 42.3193 174.9434 114 H 3.6602 7.6950 120.3279 54.9494 31.1785 171.9297 115 G 4.2844 7.5164 108.6663 44.2974 0.0000 172.8910 116 R 4.0685 8.8974 119.2146 59.1048 30.3118 178.6629 117 T 4.5357 7.7364 103.8332 61.7571 71.0603 174.3173 118 R 4.3079 7.8763 121.0788 55.3812 31.1062 175.4562 119 V 4.4317 8.2442 121.6979 62.5478 33.1091 175.1473 120 Y 4.6651 8.8377 123.9005 59.9808 39.2702 175.3957 121 F 5.5449 8.4338 114.6747 55.9867 42.9122 174.1379 122 A 4.9130 9.2151 121.6088 51.2129 23.0765 176.6077 123 A 4.6844 8.8107 120.5451 52.2602 19.6353 176.7239 124 D 4.4416 7.4068 115.3640 51.1253 42.4659 176.1274 125 E 3.0354 7.3844 120.2069 58.9520 29.4360 178.5986 126 Q 3.8625 7.6842 117.6448 59.5187 28.9094 178.8949 127 T 3.8840 8.4198 116.7548 66.9721 68.2218 176.5415 128 L 4.0758 7.3280 119.4478 57.7906 41.4831 179.5537 129 L 4.0164 7.7424 117.9359 57.1802 41.5277 179.3427 130 K 4.0760 8.2423 119.5199 59.6809 32.3143 178.4466 131 N 4.6027 7.9058 115.1939 55.3978 38.9124 176.4990 132 G 4.0218 7.4358 107.5676 44.9443 0.0000 171.9724 133 N 4.8067 8.2249 115.3283 53.5064 41.6662 174.2349 134 Q 3.7337 8.8443 121.5381 57.0665 26.2784 174.7221 135 T 3.9734 7.4571 109.4833 62.1497 69.6635 173.9318 136 K 3.7582 8.0047 120.1054 56.9518 29.2278 172.6168 137 P 4.8087 0.0000 0.0000 62.6497 32.6608 177.4149 138 K 4.7953 9.2656 123.0115 54.6517 35.9952 175.0403 139 H 3.6384 8.0541 124.0095 55.5530 30.5277 174.6287 140 V 3.7975 7.9536 126.7378 61.1919 31.7060 174.1478 141 P 4.1699 0.0000 0.0000 63.9254 31.8023 176.2013 142 G 3.9052 8.7794 108.6268 46.3626 0.0000 173.7058 143 T 3.6579 7.2219 111.3248 61.9209 72.2308 172.1568 144 P 4.4821 0.0000 0.0000 63.1649 31.7394 175.4498 145 Y 5.2532 7.3110 116.5889 56.2442 40.9658 174.5196 146 W 5.3435 9.7356 122.1611 55.0609 32.5810 175.2691 147 V 4.8630 8.8048 121.8889 59.6759 34.5853 174.8647 148 I 4.2609 7.8754 115.5312 61.4875 37.8721 175.6200 149 T 4.2611 8.5942 119.8631 64.4551 71.1480 175.0486 150 N 4.7981 8.0692 120.3634 53.0847 36.1393 174.0264 151 T 4.4976 7.4059 110.5925 58.4533 72.0622 174.7201 152 N 4.5799 8.3381 121.1721 52.7672 39.6946 176.2383 153 T 3.8700 8.3818 117.6221 66.5249 68.4344 176.8560 154 G 3.6377 8.0317 107.1936 48.1138 0.0000 175.5091 155 R 3.9560 8.7393 122.2019 58.7215 29.9860 178.7139 156 K 3.6955 7.7521 118.3319 59.4460 31.8342 179.0967 157 C 4.2663 8.0343 117.0899 62.8200 27.9600 176.1277 158 S 4.1559 8.1299 116.8288 62.0058 62.4359 176.7783 159 M 4.2592 8.2506 121.1690 58.5437 31.7407 178.9883 160 I 3.8009 8.0238 119.9596 64.2522 37.2793 177.9300 161 E 3.9201 8.9821 120.8148 59.7537 29.4695 178.3488 162 H 4.1116 8.5937 118.3834 59.2549 29.7922 177.2618 163 I 3.5733 7.9747 121.4941 64.8125 37.0237 178.4271 164 M 4.3064 8.4793 119.8814 58.4347 31.7615 178.8526 165 Q 4.0369 8.5420 118.7706 59.1287 28.6099 178.9027 166 S 4.0922 8.0116 114.0775 61.3351 62.1776 175.1333 167 M 4.3276 8.0481 118.7080 54.6347 32.2865 175.8861 168 Q 3.4952 7.7281 116.6914 56.9775 26.5162 173.7695 169 F 4.5448 8.0902 115.2372 55.6933 40.6816 175.3426 170 P 4.3306 0.0000 0.0000 62.8142 32.6996 177.5061 171 A 4.0643 8.8118 124.2612 55.4480 18.3191 179.7698 172 E 3.9723 8.1375 115.5630 59.2472 29.6588 179.1158 173 L 3.9061 7.8509 120.8222 58.1353 42.3751 178.6143 174 I 3.6140 7.7159 119.8081 64.3606 36.9420 177.9961 175 E 3.9210 8.2628 119.8663 59.4116 29.3444 179.0712 176 K 3.9953 7.8446 116.9968 59.3030 32.2749 179.3713 177 V 3.6954 8.0407 118.7706 66.3321 31.4004 178.0312 178 C 4.3089 8.2840 116.4335 62.5296 27.7023 175.9681 179 G 3.7629 7.9136 105.8973 46.5570 0.0000 174.6136 180 T 4.5156 7.7433 110.2733 62.0751 69.9051 174.5973 181 I 3.9696 7.4593 127.3549 61.7358 37.0998 175.5873 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 M 8.30 4.46 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 2 K 8.50 4.53 0.00 1.78 1.69 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.47 7.81 3 T 8.16 4.65 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 1.21 0.00 0.00 4 I 8.23 4.61 1.87 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 1.42 0.68 0.90 0.00 0.00 5 E 8.66 4.60 0.00 1.94 1.88 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 2.19 2.28 0.00 6 V 8.07 4.45 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 0.80 0.00 0.00 1.08 0.00 0.00 7 D 8.29 4.64 0.00 2.95 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 8 D 8.54 4.39 0.00 2.76 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 9 E 8.19 3.92 0.00 2.05 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 2.38 2.38 0.00 10 L 9.08 4.05 0.00 1.77 1.81 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.97 4.07 0.00 3.13 3.20 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 0.00 12 S 8.07 4.02 0.00 4.09 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 13 Y 7.74 4.09 0.00 2.93 3.20 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 0.00 14 I 7.72 3.62 1.85 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 1.47 0.95 0.83 0.00 0.00 15 A 7.98 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.75 4.19 0.00 3.98 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 17 H 7.43 4.50 0.00 3.09 3.26 0.00 5.86 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.11 3.96 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 1.18 0.00 0.00 19 K 9.09 4.20 0.00 1.75 1.82 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.33 7.81 20 H 7.32 5.01 0.00 3.07 3.37 0.00 5.47 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.99 3.68 1.81 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 1.33 0.96 0.94 0.00 0.00 22 G 8.90 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 23 E 7.26 4.33 0.00 2.23 1.88 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 2.40 2.15 0.00 24 S 8.73 4.66 0.00 4.08 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 25 R 8.47 3.86 0.00 1.85 2.04 0.00 3.27 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 26 S 8.06 4.07 0.00 3.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.84 4.43 0.00 3.00 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 28 I 7.76 3.69 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.65 0.95 0.00 0.00 29 L 8.31 4.11 0.00 1.84 1.65 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.10 4.06 0.00 2.00 2.37 0.00 3.63 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.89 0.00 31 R 7.98 3.98 0.00 1.94 2.15 0.00 3.10 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 1.65 1.70 0.00 32 M 7.90 4.25 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.51 0.00 33 L 7.58 4.65 0.00 1.66 1.75 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.51 3.89 0.00 2.10 1.98 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 35 F 7.96 4.31 0.00 3.00 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 *60 K 8.31 4.12 0.00 1.79 1.74 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.42 7.81 61 P 0.00 4.36 0.00 2.15 2.04 0.00 3.69 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 1.97 1.94 0.00 62 V 7.83 4.51 2.04 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 0.74 0.00 0.00 0.89 0.00 0.00 63 K 8.32 4.16 0.00 1.74 1.77 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.40 7.81 64 T 8.23 4.14 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 1.19 0.00 0.00 65 I 8.14 3.54 1.80 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.67 0.81 0.00 0.00 66 K 7.92 3.98 0.00 1.78 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.51 7.81 67 D 8.11 4.40 0.00 2.93 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 K 8.36 4.03 0.00 1.89 1.94 0.00 1.42 0.00 0.00 1.30 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.60 7.81 69 V 8.33 3.82 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 1.05 0.00 0.00 1.08 0.00 0.00 70 R 8.52 3.85 0.00 1.98 2.10 0.00 3.16 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 1.77 1.65 0.00 71 A 8.09 4.01 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 72 M 8.04 3.94 0.00 1.88 2.17 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.83 0.00 73 R 8.08 3.86 0.00 2.01 1.95 0.00 3.15 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 1.63 1.78 0.00 74 E 8.71 3.95 0.00 2.10 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 2.33 2.56 0.00 75 L 7.45 3.85 0.00 1.64 1.73 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.49 3.59 0.00 1.70 1.64 0.84 0.37 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 77 L 7.46 4.35 0.00 1.76 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.42 4.33 0.00 4.02 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 79 D 8.80 4.43 0.00 2.73 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 80 E 8.37 3.93 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 81 Y 7.89 4.14 0.00 3.04 3.13 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 82 A 7.54 4.09 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 83 E 8.15 4.11 0.00 2.14 2.02 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 2.34 2.53 0.00 84 Q 7.04 4.00 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 85 K 8.79 4.07 0.00 1.71 1.83 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 86 R 7.47 4.63 0.00 1.79 1.75 0.00 3.14 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 87 A 8.61 3.96 1.29 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 88 V 7.90 3.66 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 0.88 0.00 0.00 0.97 0.00 0.00 89 N 8.32 4.37 0.00 2.88 3.10 0.00 0.00 6.97 7.18 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 90 R 7.88 3.86 0.00 1.99 2.07 0.00 3.01 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.35 0.00 91 F 8.83 4.25 0.00 3.09 3.25 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 92 M 8.29 3.91 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 3.08 0.00 93 L 8.00 3.95 0.00 1.94 1.95 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.40 3.97 0.00 1.98 1.66 1.05 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.59 4.04 0.00 1.79 1.82 0.42 0.88 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 96 S 8.13 4.03 0.00 3.96 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 97 T 7.59 3.86 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 1.18 0.00 0.00 98 L 8.10 4.20 0.00 2.00 2.00 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.03 3.63 0.00 1.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 7.78 4.17 0.00 4.11 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 0.00 101 L 7.51 4.43 0.00 1.91 1.82 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.58 4.27 0.00 2.72 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 0.00 103 A 8.30 3.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 8.13 3.96 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 105 A 8.20 3.95 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 0.00 106 F 8.42 3.85 0.00 3.16 3.31 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 0.00 107 A 8.55 4.03 1.63 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 0.00 0.00 108 E 8.35 3.87 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 109 A 8.23 4.10 1.14 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 0.00 110 T 7.05 3.75 3.71 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 0.35 0.00 0.00 111 E 8.12 4.00 0.00 2.11 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 2.40 2.34 0.00 112 S 7.31 4.43 0.00 3.93 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 0.00 113 L 7.44 4.31 0.00 1.64 1.77 0.69 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 114 H 7.69 3.66 0.00 3.18 3.12 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.52 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 0.00 116 R 8.90 4.07 0.00 1.80 1.99 0.00 3.19 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 117 T 7.74 4.54 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 118 R 7.88 4.31 0.00 2.18 2.11 0.00 3.19 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 119 V 8.24 4.43 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 0.96 0.00 0.00 0.97 0.00 0.00 120 Y 8.84 4.67 0.00 3.38 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 0.00 121 F 8.43 5.54 0.00 2.86 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 0.00 122 A 9.22 4.91 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 0.00 123 A 8.81 4.68 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 0.00 124 D 7.41 4.44 0.00 2.75 2.68 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 0.00 125 E 7.38 3.04 0.00 1.16 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 126 Q 7.68 3.86 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 127 T 8.42 3.88 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 1.26 0.00 0.00 128 L 7.33 4.08 0.00 1.87 1.74 1.10 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.74 4.02 0.00 1.71 1.70 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.24 4.08 0.00 1.81 1.96 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.47 7.81 131 N 7.91 4.60 0.00 2.81 2.87 0.00 0.00 7.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 7.44 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 0.00 133 N 8.22 4.81 0.00 2.76 2.61 0.00 0.00 6.92 7.12 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 0.00 134 Q 8.84 3.73 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 135 T 7.46 3.97 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 1.22 0.00 0.00 136 K 8.00 3.76 0.00 1.86 1.86 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.38 7.81 137 P 0.00 4.81 0.00 2.15 2.15 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 138 K 9.27 4.80 0.00 1.66 1.62 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.39 7.81 139 H 8.05 3.64 0.00 1.40 2.27 0.00 5.72 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 0.00 140 V 7.95 3.80 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 0.68 0.00 0.00 0.96 0.00 0.00 141 P 0.00 4.17 0.00 2.02 1.93 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 142 G 8.78 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 0.00 143 T 7.22 3.66 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 0.90 0.00 0.00 144 P 0.00 4.48 0.00 1.54 1.91 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.99 0.00 145 Y 7.31 5.25 0.00 3.06 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 0.00 146 W 9.74 5.34 0.00 3.29 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 0.00 147 V 8.80 4.86 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 0.99 0.00 0.00 0.15 0.00 0.00 148 I 7.88 4.26 1.92 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.29 0.96 0.00 0.00 149 T 8.59 4.26 4.61 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 1.18 0.00 0.00 150 N 8.07 4.80 0.00 2.73 2.79 0.00 0.00 6.77 7.70 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 0.00 151 T 7.41 4.50 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 0.95 0.00 0.00 152 N 8.34 4.58 0.00 2.97 2.95 0.00 0.00 6.06 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 0.00 153 T 8.38 3.87 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 1.19 0.00 0.00 154 G 8.03 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 0.00 0.00 0.00 155 R 8.74 3.96 0.00 1.86 1.97 0.00 3.00 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.68 0.00 156 K 7.75 3.70 0.00 1.83 1.59 0.00 1.41 0.00 0.00 1.22 0.00 0.00 2.53 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.72 7.81 157 C 8.03 4.27 0.00 3.20 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 0.00 158 S 8.13 4.16 0.00 4.09 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 0.00 159 M 8.25 4.26 0.00 2.48 2.64 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.82 0.00 160 I 8.02 3.80 2.10 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 1.97 1.08 0.93 0.00 0.00 161 E 8.98 3.92 0.00 2.08 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 2.34 2.36 0.00 162 H 8.59 4.11 0.00 3.32 3.50 0.00 5.64 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 0.00 163 I 7.97 3.57 2.01 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.74 0.78 0.00 0.00 164 M 8.48 4.31 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.34 0.00 165 Q 8.54 4.04 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 166 S 8.01 4.09 0.00 3.82 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 M 8.05 4.33 0.00 2.09 2.36 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.61 0.00 168 Q 7.73 3.50 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 169 F 8.09 4.54 0.00 3.16 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 0.00 170 P 0.00 4.33 0.00 2.21 2.02 0.00 3.87 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 2.19 2.19 0.00 171 A 8.81 4.06 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 0.00 172 E 8.14 3.97 0.00 2.26 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 2.37 2.44 0.00 173 L 7.85 3.91 0.00 1.81 1.93 0.87 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 174 I 7.72 3.61 2.02 0.00 0.00 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 1.41 1.06 0.92 0.00 0.00 175 E 8.26 3.92 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 176 K 7.84 4.00 0.00 1.90 1.85 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.71 7.81 177 V 8.04 3.70 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 1.05 0.00 0.00 0.89 0.00 0.00 178 C 8.28 4.31 0.00 3.05 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 0.00 179 G 7.91 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 0.00 180 T 7.74 4.52 4.50 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 0.00 0.00 0.00 1.38 0.00 0.00 181 I 7.46 3.97 1.94 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 1.32 0.82 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.