NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4558 8.3049 120.3274 55.1089 33.3380 174.5592 2 K 4.5264 8.5048 122.2318 54.2988 35.2598 173.8063 3 T 4.6554 8.1602 116.9990 61.6868 72.1130 173.5277 4 I 4.6106 8.2252 118.3890 58.8946 40.5342 174.3953 5 E 4.5979 8.6600 121.0428 54.7864 31.1058 176.0259 6 V 4.4508 8.0679 117.1050 59.1404 34.3761 175.8420 7 D 4.6422 8.2911 122.5355 53.1169 41.3693 177.2051 8 D 4.3909 8.5354 119.3198 57.4365 40.8873 178.7445 9 E 3.9173 8.1861 119.1858 59.3902 30.0317 178.4287 10 L 4.0536 9.0816 120.6475 58.0692 41.8762 178.5284 11 Y 4.0731 7.9694 119.2629 60.9676 38.8869 177.7455 12 S 4.0214 8.0687 115.8066 61.6606 62.6302 176.1217 13 Y 4.0846 7.7351 120.9870 60.8645 38.9461 177.6953 14 I 3.6260 7.7161 119.9102 64.4613 37.2798 178.2253 15 A 3.8162 7.9736 121.9047 55.0653 17.9082 179.6379 16 S 4.1879 7.7515 111.2709 60.9027 63.2595 175.3088 17 H 4.5061 7.4340 118.5077 54.9231 28.5897 175.1604 18 T 3.9569 7.1037 118.9886 63.8651 68.1214 173.8362 19 K 4.1950 9.0874 128.1075 57.4015 33.0001 176.4425 20 H 5.0141 7.3219 112.3957 52.9770 31.5553 173.2914 21 I 3.6786 7.9914 121.1640 63.1464 37.2093 176.9635 22 G 3.9803 8.9045 112.9558 45.0830 0.0000 173.4124 23 E 4.3242 7.2605 117.4502 55.8766 30.5752 177.1963 24 S 4.6552 8.7328 116.1278 57.1972 66.1924 175.4288 25 R 3.8626 8.4685 121.0801 59.6277 29.6946 179.2920 26 S 4.0687 8.0564 114.1699 61.8509 63.0208 175.9314 27 D 4.4329 7.8396 120.8162 57.7959 40.4190 179.0161 28 I 3.6867 7.7566 118.9806 64.5139 37.4810 178.2629 29 L 4.1056 8.3138 119.8212 58.0485 41.4930 179.7352 30 R 4.0584 8.1034 117.9138 59.4035 29.8666 179.1496 31 R 3.9778 7.9841 118.0255 59.5816 29.9515 177.9280 32 M 4.2497 7.9134 115.7964 56.4486 32.2251 177.2026 33 L 4.6545 7.5736 116.9851 53.2432 43.5470 176.7614 34 K 3.8932 7.5107 116.4221 56.8703 29.9735 175.3354 35 F 4.3108 7.9563 121.7272 57.2044 39.2135 175.2579 *60 K 4.1153 8.3096 127.1874 55.0594 33.0974 174.0979 61 P 4.3613 0.0000 0.0000 63.0099 31.6807 176.0257 62 V 4.5084 7.8306 119.5499 59.3491 34.5791 175.3589 63 K 4.1596 8.3246 120.2260 56.2542 32.6715 177.7599 64 T 4.1443 8.2311 111.6675 61.4329 70.9002 175.5626 65 I 3.5396 8.1339 122.2132 64.4494 37.0440 178.8464 66 K 3.9856 7.9225 118.7575 59.5996 31.9924 178.9538 67 D 4.3950 8.1104 119.1353 57.1879 40.8151 179.0013 68 K 4.0255 8.3657 119.3425 59.6025 32.1337 179.5583 69 V 3.8194 8.3265 118.8880 65.8843 31.3959 177.9606 70 R 3.8534 8.5191 118.6799 59.4958 29.9831 178.1934 71 A 4.0077 8.0860 120.4598 55.6778 18.3302 179.5911 72 M 3.9368 8.0380 116.7469 58.3788 32.1073 179.2766 73 R 3.8604 8.0788 118.2420 59.2689 30.2211 178.7007 74 E 3.9456 8.7120 118.7127 59.3949 29.2279 179.2937 75 L 3.8473 7.4550 118.9525 58.2768 42.2794 178.7018 76 L 3.5907 7.4886 117.2756 57.3928 41.5677 178.9042 77 L 4.3501 7.4665 116.8568 54.9289 42.3711 177.4802 78 S 4.3256 7.4178 114.2216 58.4557 63.7659 175.3210 79 D 4.4233 8.7951 121.8799 57.6205 40.1385 178.3082 80 E 3.9309 8.3683 119.3830 59.9055 29.1959 178.3141 81 Y 4.1368 7.8823 117.7234 60.5403 38.9289 177.2516 82 A 4.0896 7.6205 119.6959 55.0858 18.5389 179.2059 83 E 4.1107 8.1514 116.3679 58.1316 29.5959 177.9058 84 Q 3.9951 7.0357 117.5012 56.0346 29.1575 176.6155 85 K 4.0660 8.7938 123.1049 58.9395 32.6205 177.2762 86 R 4.6270 7.4721 115.3409 53.2925 33.8706 175.8436 87 A 3.9560 8.6105 120.7095 55.9096 18.1192 180.1817 88 V 3.6559 7.9008 116.1840 65.4512 31.0502 178.2293 89 N 4.3730 8.3125 116.6973 56.0717 38.3678 177.6501 90 R 3.8545 7.8804 118.9529 59.1526 30.3644 178.2613 91 F 4.2463 8.8303 120.8305 61.9862 39.1849 177.2292 92 M 3.9081 8.2948 117.6555 58.4307 31.8415 178.5937 93 L 3.9484 7.9974 120.3319 58.0781 42.0742 179.0418 94 L 3.9706 8.3825 119.4898 57.6053 41.4654 179.4829 95 L 4.0384 7.5900 118.5261 57.9271 41.6859 179.3644 96 S 4.0330 8.1336 115.3538 62.1958 62.5958 177.2454 97 T 3.8576 7.6037 116.4842 66.5337 68.5817 176.3849 98 L 4.2022 8.1086 121.1477 58.1905 41.8108 179.0392 99 Y 3.6259 8.0276 119.8238 60.4771 38.3864 178.2392 100 S 4.1779 7.7791 113.9362 60.9449 63.1385 176.1017 101 L 4.4258 7.5062 122.2488 56.5747 42.1678 176.5873 102 D 4.2711 7.5810 117.3903 52.0604 42.6154 175.2134 103 A 3.2832 8.2972 128.4680 54.8179 18.4159 178.6511 104 Q 3.9606 8.1274 115.6419 59.2177 28.8578 178.9776 105 A 3.9530 8.2067 121.3462 55.1620 18.4510 179.1080 106 F 3.8499 8.4305 119.0555 61.5144 39.4094 176.8248 107 A 4.0263 8.5516 120.4595 55.6005 17.0861 179.4616 108 E 3.8730 8.3558 116.4005 59.5459 29.3762 179.5487 109 A 4.1062 8.2181 120.8137 54.0129 18.5789 178.7532 110 T 3.7481 7.0457 113.1460 64.6063 69.3442 176.6209 111 E 3.9998 8.1162 121.1774 58.4739 29.8219 177.3108 112 S 4.4293 7.3129 108.6967 57.5118 63.1788 173.1943 113 L 4.3062 7.4470 123.7423 54.2180 42.3084 174.9386 114 H 3.6682 7.7043 120.3444 54.9403 31.1957 171.9375 115 G 4.2805 7.5119 108.6754 44.3200 0.0000 172.9254 116 R 4.0675 8.8957 119.2422 59.1100 30.3166 178.6594 117 T 4.5354 7.7380 103.8444 61.7488 71.0593 174.3096 118 R 4.3104 7.8750 121.1034 55.3692 31.1100 175.4628 119 V 4.4226 8.2460 121.7319 62.5638 33.1084 175.1436 120 Y 4.6653 8.8399 123.9192 59.9905 39.2633 175.3933 121 F 5.5480 8.4362 114.6805 55.9853 42.9025 174.1348 122 A 4.9128 9.2165 121.6251 51.2147 23.0820 176.6008 123 A 4.6842 8.8075 120.5193 52.2526 19.6413 176.7119 124 D 4.4436 7.4066 115.3781 51.1256 42.4721 176.1269 125 E 3.0298 7.3838 120.1925 58.9550 29.4360 178.5956 126 Q 3.8621 7.6843 117.6431 59.5191 28.9050 178.9012 127 T 3.8852 8.4150 116.7505 66.9619 68.2318 176.5475 128 L 4.0745 7.3276 119.5639 57.7923 41.4831 179.5540 129 L 4.0150 7.7391 117.9336 57.1801 41.5274 179.3426 130 K 4.0761 8.2416 119.5213 59.6797 32.3141 178.4462 131 N 4.6028 7.9074 115.2086 55.4068 38.9130 176.5027 132 G 4.0211 7.4411 107.5909 44.9527 0.0000 171.9711 133 N 4.8046 8.2320 115.3191 53.5144 41.6618 174.2373 134 Q 3.7344 8.8445 121.5629 57.0677 26.2787 174.7155 135 T 3.9739 7.4563 109.4728 62.1404 69.6716 173.9379 136 K 3.7453 8.0050 120.1519 56.9574 29.2344 172.6445 137 P 4.8092 0.0000 0.0000 62.6556 32.6571 177.4455 138 K 4.7956 9.2695 123.0137 54.6566 35.9996 175.0352 139 H 3.6418 8.0527 123.9808 55.5469 30.5343 174.6292 140 V 3.8025 7.9485 126.7248 61.1767 31.7031 174.1463 141 P 4.1709 0.0000 0.0000 63.9209 31.8048 176.2067 142 G 3.9114 8.7539 108.5963 46.3511 0.0000 173.7124 143 T 3.6621 7.2215 111.3249 61.9135 72.2392 172.1702 144 P 4.4790 0.0000 0.0000 63.1817 31.7357 175.4570 145 Y 5.2511 7.3103 116.5912 56.2502 40.9579 174.5211 146 W 5.3418 9.7405 122.1294 55.0610 32.6014 175.2606 147 V 4.8637 8.8088 121.8619 59.6853 34.5915 174.8542 148 I 4.2664 7.8723 115.5036 61.4720 37.8872 175.6133 149 T 4.2599 8.6020 119.8839 64.4785 71.1462 175.0429 150 N 4.7964 8.0715 120.3552 53.0865 36.1619 174.0285 151 T 4.4964 7.4104 110.6136 58.4544 72.0632 174.7178 152 N 4.5798 8.3379 121.1788 52.7636 39.6927 176.2358 153 T 3.8696 8.3835 117.6323 66.5379 68.4353 176.8399 154 G 3.6392 8.0341 107.1813 48.1196 0.0000 175.4982 155 R 3.9556 8.7425 122.2032 58.7247 29.9856 178.7200 156 K 3.6960 7.7487 118.3036 59.4429 31.8374 179.0978 157 C 4.2662 8.0392 117.1000 62.8167 27.9597 176.1249 158 S 4.1579 8.1298 116.8307 62.0091 62.4397 176.7816 159 M 4.2592 8.2506 121.1665 58.5402 31.7384 178.9877 160 I 3.8016 8.0198 119.9579 64.2553 37.2786 177.9313 161 E 3.9209 8.9664 120.7629 59.7523 29.4697 178.3520 162 H 4.1127 8.5963 118.3875 59.2506 29.7936 177.2613 163 I 3.5729 7.9709 121.4941 64.8131 37.0205 178.4255 164 M 4.3058 8.4765 119.8785 58.4383 31.7701 178.8567 165 Q 4.0361 8.5408 118.7681 59.1262 28.6293 178.8981 166 S 4.0937 8.0107 114.0806 61.3354 62.1792 175.1365 167 M 4.3275 8.0576 118.7142 54.6477 32.2838 175.8812 168 Q 3.4969 7.7273 116.6807 56.9789 26.5120 173.7662 169 F 4.5472 8.0980 115.2384 55.6940 40.6842 175.3397 170 P 4.3319 0.0000 0.0000 62.8064 32.7014 177.5028 171 A 4.0638 8.8143 124.2622 55.4539 18.3161 179.7719 172 E 3.9722 8.1374 115.5579 59.2477 29.6610 179.1145 173 L 3.9072 7.8511 120.8229 58.1329 42.3738 178.6215 174 I 3.6138 7.7151 119.8077 64.3512 36.9255 177.9951 175 E 3.9210 8.2628 119.8744 59.4127 29.3435 179.0689 176 K 3.9925 7.8457 116.9921 59.3077 32.2772 179.3696 177 V 3.6953 8.0375 118.7601 66.3309 31.3731 178.0349 178 C 4.3126 8.2857 116.4196 62.5121 27.7014 175.9487 179 G 3.7649 7.9069 105.9181 46.5341 0.0000 174.6135 180 T 4.5165 7.7418 110.2808 62.0761 69.9110 174.5934 181 I 3.9697 7.4536 127.2815 61.7342 37.0998 175.5871 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 -0.17 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 4.66 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 0.95 1.12 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 4.08 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 3.63 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 0.93 0.82 0.00 0.00 15 A 7.97 3.82 1.05 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 0.00 0.00 16 S 7.75 4.19 0.00 3.97 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 4.51 0.00 3.09 3.26 0.00 5.85 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.10 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 1.14 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 3.08 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 0.90 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 4.32 0.00 2.24 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 0.66 0.89 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 7.91 4.25 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 1.90 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 7.57 4.65 0.00 1.66 1.75 0.85 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 0.97 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 8.13 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 0.68 0.81 0.00 0.00 66 K 7.92 3.99 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 4.39 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 8.37 4.03 0.00 1.89 1.94 0.00 1.42 0.00 0.00 1.29 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 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 1.12 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 1.40 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 72 M 8.04 3.94 0.00 1.89 2.17 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.84 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 0.92 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 7.47 4.35 0.00 1.76 1.72 0.92 0.77 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 4.42 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 7.88 4.14 0.00 3.05 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 7.62 4.09 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 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 8.31 4.37 0.00 2.88 3.10 0.00 0.00 6.98 7.19 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 90 R 7.88 3.85 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 3.10 3.26 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 92 M 8.29 3.91 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.08 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 1.93 1.95 0.95 0.83 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 8.38 3.97 0.00 1.98 1.66 1.04 0.34 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 0.45 0.91 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 3.97 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 7.60 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 8.11 4.20 0.00 2.00 2.00 0.96 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 4.18 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 1.92 1.82 1.08 0.94 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 0.00 102 D 7.58 4.27 0.00 2.71 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 3.28 0.95 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 0.00 104 Q 8.13 3.96 0.00 2.21 2.17 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 8.21 3.95 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 F 8.43 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 1.64 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 0.00 108 E 8.36 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 8.22 4.11 1.16 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 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 0.29 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 7.45 4.31 0.00 1.64 1.77 0.72 1.09 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 7.70 3.67 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 7.51 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 7.87 4.31 0.00 2.17 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 8.25 4.42 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 1.00 0.00 0.00 120 Y 8.84 4.67 0.00 3.38 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.44 5.55 0.00 2.85 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 1.38 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 0.00 123 A 8.81 4.68 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 0.00 124 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 3.03 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 3.89 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 4.07 0.00 1.87 1.74 1.09 0.77 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 0.93 0.80 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 7.27 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 0.00 132 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 8.23 4.80 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 8.01 3.75 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 0.69 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 3.78 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 8.75 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 4.19 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 0.89 0.00 0.00 144 P 0.00 4.48 0.00 1.54 1.91 0.00 2.93 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 8.81 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 0.97 0.00 0.00 0.11 0.00 0.00 148 I 7.87 4.27 1.92 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.29 0.99 0.00 0.00 149 T 8.60 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 1.84 1.60 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 8.04 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 2.63 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.81 0.00 160 I 8.02 3.80 2.00 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 1.97 1.09 0.93 0.00 0.00 161 E 8.97 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 8.60 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 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 0.79 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 1.63 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 8.06 4.33 0.00 2.09 2.36 0.00 0.00 0.00 0.00 0.00 2.65 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 6.69 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 169 F 8.10 4.55 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 1.34 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 0.00 172 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 1.08 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 7.85 3.99 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 0.82 0.00 0.00 178 C 8.29 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 1.33 0.00 0.00 181 I 7.45 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.