NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 I 4.1876 8.0244 120.7832 61.5086 39.1554 175.4086 15 L 4.5191 7.9192 117.5679 53.6274 42.9163 171.8773 16 E 4.3327 8.9507 120.2498 55.9869 31.6181 174.9796 17 L 5.4042 8.5977 125.1622 52.9672 45.7266 175.8800 18 V 4.3344 8.8832 121.8160 60.4147 33.5867 173.3301 19 P 4.3031 0.0000 0.0000 62.8529 31.1330 176.4187 20 L 4.2225 8.0774 123.9066 55.0120 42.1274 176.2583 21 S 4.4287 6.7323 111.2209 57.2302 64.9163 174.2521 22 P 4.2952 0.0000 0.0000 65.0446 31.1812 177.2963 23 T 4.7758 8.0668 105.9601 61.0484 70.5381 173.6400 24 S 5.2759 7.4506 116.9689 56.8080 66.2033 172.4155 25 F 5.3143 9.3267 123.7409 56.0310 43.7108 173.6235 26 V 5.1405 8.7399 122.1895 60.8583 34.7763 174.9390 27 T 4.4349 8.5040 116.8459 62.2348 68.8584 174.3228 28 K 3.9679 8.8456 126.3335 59.3798 32.5424 176.7808 29 Y 4.6785 7.6973 114.8969 55.8340 40.0225 175.2513 30 L 4.3715 8.3422 121.4855 54.0698 43.2863 177.1440 31 P 4.6867 0.0000 0.0000 62.2876 30.6904 178.1569 *40 T 4.1492 8.3589 123.2176 64.0200 68.9912 173.8412 41 F 4.6454 8.6818 127.8221 58.2597 41.3117 176.4702 42 G 3.5916 7.9835 111.8141 47.4956 0.0000 176.2290 43 G 3.1707 5.3800 107.3120 47.7803 0.0000 175.7944 44 T 3.9556 7.3664 117.4001 66.3045 68.5724 176.7331 45 L 3.8626 7.2556 121.4101 57.1802 41.5306 179.8350 46 V 3.6916 7.7855 118.3485 66.0162 31.4828 178.3228 47 S 4.0564 7.9318 114.9524 61.7545 62.6145 176.7433 48 Q 3.8361 7.9870 120.9862 58.6192 28.5368 178.6870 49 S 3.6064 7.5890 115.4085 61.0193 62.9161 176.4897 50 L 3.8688 7.7643 123.8115 57.9542 41.7851 178.6927 51 L 3.8164 7.7840 118.6867 57.8279 41.3193 179.3931 52 A 3.0071 7.5559 119.7442 54.9176 18.5339 179.5769 53 S 4.2294 7.7046 112.2136 61.5663 62.9331 176.6880 54 L 4.0121 7.7091 121.6267 57.5937 41.3921 178.5817 55 H 4.5757 7.6517 114.8559 57.2747 28.8809 175.9248 56 T 4.4410 7.5921 109.6126 61.0858 69.3226 174.4964 57 V 4.1348 7.0217 121.1012 60.0162 34.3809 173.2791 58 P 4.3900 0.0000 0.0000 62.4141 31.8567 177.6313 59 L 3.9258 8.4486 121.3105 57.8532 41.9603 178.1574 60 N 4.4930 8.1500 113.6673 53.5729 37.6918 173.7962 61 F 4.9291 7.9106 118.9537 56.1676 40.7057 175.2978 62 F 5.3356 9.2529 121.4337 54.6183 43.0591 172.7536 63 P 4.4391 0.0000 0.0000 63.5823 30.9607 175.9127 64 T 4.5423 8.7634 114.5672 63.0953 70.5436 174.6566 65 S 4.7408 7.5439 114.4797 57.0317 66.4814 173.0753 66 L 5.1115 7.9051 119.4036 54.8036 43.8566 175.7484 67 H 4.4827 9.0555 116.8462 54.8223 32.2846 172.4295 68 S 4.7363 8.1709 119.2870 56.5274 65.5431 173.5055 69 Y 4.2659 7.9118 121.0640 56.0933 41.0678 174.7027 70 F 4.5586 8.8707 123.6486 56.7121 38.9738 175.2669 71 I 4.2882 8.5747 125.7014 62.6462 38.3149 176.8258 72 K 4.5888 7.8607 120.0431 54.6610 35.0112 175.4278 73 G 3.8422 8.4917 114.3185 46.7632 0.0000 173.5164 74 G 4.0762 8.8892 107.2698 44.2293 0.0000 175.1358 75 D 4.2932 8.4358 122.9443 51.0866 39.8598 176.0063 76 P 4.4276 0.0000 0.0000 64.7418 31.4353 177.0645 77 R 4.2765 7.8395 116.8234 57.1720 30.6060 175.6274 78 T 4.7032 7.2066 110.9262 59.3082 70.6201 173.2389 79 K 4.2555 8.4278 123.9269 56.8936 33.5821 175.9339 80 I 4.5534 8.4060 120.4768 59.8740 40.0065 174.7450 81 T 4.9364 8.2875 123.3847 62.2659 70.0633 173.1951 82 Y 5.2875 9.1215 125.0069 57.0188 40.3746 174.3999 83 H 5.4169 9.5980 120.6330 54.0986 32.2674 172.6270 84 V 4.8906 9.1425 124.4685 61.3685 32.8676 174.8140 85 Q 4.7614 9.2805 126.3653 54.0882 31.2126 174.3506 86 N 4.6352 8.9086 122.5414 53.9385 39.0891 174.0673 87 L 4.5387 8.8454 126.3090 56.4201 43.7244 177.2716 88 R 4.5667 7.5039 115.0607 55.4999 33.2499 173.3552 89 N 5.4672 8.7513 122.5192 52.1061 41.0699 173.2437 90 G 4.0991 8.1953 106.6607 45.2422 0.0000 173.1853 91 R 4.0536 8.8548 118.7851 59.2631 30.2237 177.5486 92 N 4.5633 7.8562 112.6341 53.1452 39.9677 174.2108 93 F 5.9957 7.7800 116.2739 56.0384 44.0155 173.5343 94 I 5.1246 9.2754 121.8944 59.9994 41.4543 173.8519 95 H 5.6181 9.5823 123.8587 54.1186 31.1922 173.5449 96 K 5.1776 9.3590 122.5280 54.5917 36.0065 174.7321 97 Q 5.1057 9.0602 124.0692 54.3274 32.0392 174.2895 98 V 5.0083 9.2304 126.2746 61.4877 34.1125 174.0995 99 S 5.3662 9.3481 124.5529 56.9527 65.4985 173.0158 100 A 5.1542 9.3996 126.0239 50.4403 21.5008 175.0289 101 Y 5.0597 9.2767 120.0917 56.4148 41.5755 175.0109 102 Q 4.6415 8.6792 119.7492 55.1706 33.7380 174.8396 103 H 3.9150 9.6141 117.8649 57.2497 26.4848 174.7698 104 D 4.6639 8.5701 112.9971 55.0717 38.4873 174.0488 105 K 4.7153 7.9819 117.8153 54.0678 35.5520 175.6732 106 L 3.5504 8.3696 125.1919 54.9222 42.5236 176.3025 107 I 4.4633 8.2594 118.8309 60.9102 40.2298 174.9947 108 F 5.0396 7.5968 121.7271 57.8223 42.5929 172.3074 109 T 5.0832 7.4946 119.2738 60.5858 71.3967 172.2728 110 S 4.9305 9.0313 121.8028 56.7755 66.2786 171.9250 111 M 4.9910 9.1388 127.3683 54.2294 33.9862 174.4485 112 I 4.8627 8.8857 127.0205 59.4710 40.5463 174.2997 113 L 5.1040 8.4835 127.0341 53.1333 44.0164 175.6712 114 F 5.6378 9.7719 121.3503 55.8256 43.1555 173.9508 115 A 5.7669 9.5292 122.5906 50.2027 22.8766 175.8608 116 V 3.2828 8.5436 119.5192 61.9201 32.6694 176.5705 117 Q 3.7542 8.1530 120.5910 55.6547 27.8638 176.1495 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 14 I 8.02 4.19 2.07 0.00 0.00 0.57 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 1.37 0.27 0.00 0.00 15 L 7.92 4.52 0.00 1.70 1.61 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.95 4.33 0.00 2.29 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 2.46 2.43 0.00 17 L 8.60 5.40 0.00 1.65 1.75 0.73 1.03 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 18 V 8.88 4.33 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 0.96 0.00 0.00 0.91 0.00 0.00 19 P 0.00 4.30 0.00 1.97 1.70 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.33 0.00 20 L 8.08 4.22 0.00 1.50 1.62 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 21 S 6.73 4.43 0.00 3.82 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.30 0.00 2.03 2.12 0.00 3.54 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 23 T 8.07 4.78 4.54 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 1.23 0.00 0.00 24 S 7.45 5.28 0.00 3.79 3.54 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 25 F 9.33 5.31 0.00 3.16 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 26 V 8.74 5.14 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 0.86 0.00 0.00 0.99 0.00 0.00 27 T 8.50 4.43 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 1.50 0.00 0.00 28 K 8.85 3.97 0.00 1.72 1.61 0.00 1.77 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.48 1.10 7.81 29 Y 7.70 4.68 0.00 3.05 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 30 L 8.34 4.37 0.00 1.71 1.86 0.96 1.11 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 31 P 0.00 4.69 0.00 2.08 1.57 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 *40 T 8.36 4.15 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 41 F 8.68 4.65 0.00 3.07 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 42 G 7.98 3.59 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 0.00 0.00 0.00 43 G 5.38 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 0.00 0.00 0.00 44 T 7.37 3.96 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 1.27 0.00 0.00 45 L 7.26 3.86 0.00 1.45 0.49 0.80 0.59 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 46 V 7.79 3.69 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 1.04 0.00 0.00 1.15 0.00 0.00 47 S 7.93 4.06 0.00 3.96 3.86 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 48 Q 7.99 3.84 0.00 1.77 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 49 S 7.59 3.61 0.00 4.17 4.27 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 0.00 0.00 0.00 0.00 50 L 7.76 3.87 0.00 1.93 1.79 0.90 0.68 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 51 L 7.78 3.82 0.00 1.69 1.53 0.87 0.66 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 52 A 7.56 3.01 0.86 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 0.00 0.00 53 S 7.70 4.23 0.00 4.31 4.22 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 0.00 0.00 0.00 0.00 54 L 7.71 4.01 0.00 1.70 1.72 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 55 H 7.65 4.58 0.00 3.31 3.50 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.59 4.44 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 1.48 0.00 0.00 57 V 7.02 4.13 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.01 0.00 0.00 58 P 0.00 4.39 0.00 2.53 1.98 0.00 3.06 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.97 0.00 59 L 8.45 3.93 0.00 1.62 1.73 0.93 1.04 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 60 N 8.15 4.49 0.00 2.82 3.05 0.00 0.00 6.20 8.12 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 61 F 7.91 4.93 0.00 2.78 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 62 F 9.25 5.34 0.00 3.11 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 63 P 0.00 4.44 0.00 1.94 1.66 0.00 4.09 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 64 T 8.76 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 1.33 0.00 0.00 65 S 7.54 4.74 0.00 3.77 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 66 L 7.91 5.11 0.00 1.63 1.45 0.83 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 67 H 9.06 4.48 0.00 3.09 3.16 0.00 5.57 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.17 4.74 0.00 3.39 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 69 Y 7.91 4.27 0.00 2.66 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 70 F 8.87 4.56 0.00 2.99 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 71 I 8.57 4.29 1.91 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 1.10 0.53 0.90 0.00 0.00 72 K 7.86 4.59 0.00 1.69 1.65 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.46 7.81 73 G 8.49 3.84 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 0.00 0.00 0.00 74 G 8.89 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 0.00 0.00 0.00 75 D 8.44 4.29 0.00 2.97 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 76 P 0.00 4.43 0.00 2.23 2.26 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 77 R 7.84 4.28 0.00 1.86 2.04 0.00 3.17 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 78 T 7.21 4.70 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 1.11 0.00 0.00 79 K 8.43 4.26 0.00 1.90 1.80 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.44 7.81 80 I 8.41 4.55 1.78 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 1.15 0.88 0.20 0.00 0.00 81 T 8.29 4.94 4.27 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 0.00 0.00 0.00 1.19 0.00 0.00 82 Y 9.12 5.29 0.00 3.17 3.03 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 83 H 9.60 5.42 0.00 3.23 3.34 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 9.14 4.89 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 0.87 0.00 0.00 1.14 0.00 0.00 85 Q 9.28 4.76 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 86 N 8.91 4.64 0.00 2.74 2.77 0.00 0.00 7.08 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.85 4.54 0.00 1.71 1.74 1.04 0.84 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 88 R 7.50 4.57 0.00 1.86 1.60 0.00 3.18 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 89 N 8.75 5.47 0.00 2.61 2.65 0.00 0.00 5.93 7.00 0.00 0.00 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 G 8.20 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 91 R 8.85 4.05 0.00 1.78 1.91 0.00 3.21 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 92 N 7.86 4.56 0.00 1.60 1.98 0.00 0.00 6.81 8.13 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 93 F 7.78 6.00 0.00 3.06 2.92 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 94 I 9.28 5.12 1.81 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.15 0.79 0.00 0.00 95 H 9.58 5.62 0.00 3.05 3.23 0.00 5.57 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 9.36 5.18 0.00 1.86 1.79 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.66 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.48 1.54 7.81 97 Q 9.06 5.11 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 98 V 9.23 5.01 2.22 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 1.19 0.00 0.00 1.01 0.00 0.00 99 S 9.35 5.37 0.00 4.19 3.84 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 0.00 100 A 9.40 5.15 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 0.00 101 Y 9.28 5.06 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 0.00 102 Q 8.68 4.64 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.24 0.00 0.00 0.00 0.00 0.00 2.48 2.28 0.00 103 H 9.61 3.91 0.00 3.27 3.37 0.00 6.02 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.57 4.66 0.00 2.90 2.84 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 0.00 105 K 7.98 4.72 0.00 1.99 1.65 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.58 7.81 106 L 8.37 3.55 0.00 1.09 1.37 0.54 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.26 4.46 2.13 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 1.22 0.77 0.91 0.00 0.00 108 F 7.60 5.04 0.00 3.12 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 0.00 109 T 7.49 5.08 4.15 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 0.00 0.00 1.07 0.00 0.00 110 S 9.03 4.93 0.00 3.79 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 M 9.14 4.99 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 112 I 8.89 4.86 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.69 0.36 0.00 0.00 113 L 8.48 5.10 0.00 1.54 1.51 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 114 F 9.77 5.64 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 0.00 115 A 9.53 5.77 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.54 3.28 0.97 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 0.47 0.00 0.00 0.34 0.00 0.00 117 Q 8.15 3.75 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 * Residues marked with a * may have inaccurate shift predictions.