NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4282 8.3033 120.2429 56.6412 32.1291 177.7402 3 R 3.6179 7.7846 117.9737 58.0919 29.9859 177.1149 4 Y 4.1961 8.0129 119.1742 60.8374 39.3120 177.7033 5 R 3.9081 7.4867 115.1814 59.0599 29.8088 178.2887 6 R 4.1762 8.1014 119.1166 59.1469 30.0845 179.0355 7 G 4.2172 8.1234 103.2835 45.2148 0.0000 174.4779 *9 E 4.1237 8.0497 121.9315 56.0031 31.3829 177.8649 10 I 3.6753 7.6590 117.9163 64.2589 37.2170 177.6925 11 L 3.7535 7.4032 119.5389 58.1593 41.9106 178.1309 12 N 4.0269 7.7991 114.6126 56.6148 38.9774 176.3042 13 R 3.7689 7.6918 116.5139 57.7972 31.6081 175.7870 *15 N 4.4594 7.9596 118.0490 54.5153 39.9333 175.6686 16 R 4.0465 7.6677 122.4560 61.4720 29.7934 179.9573 17 K 4.2820 7.9723 116.6369 59.5792 32.3006 178.8684 18 S 4.2451 7.8647 111.6515 60.4484 62.0697 175.5323 19 Y 3.9313 7.7785 122.2325 60.9843 39.0035 177.4135 20 T 3.7630 7.9916 110.1493 64.7803 68.6008 175.9505 21 A 3.9381 7.7788 123.1271 55.1054 18.3965 179.6790 22 I 3.5923 7.5068 118.0429 64.4174 36.8848 178.5917 23 R 4.0993 7.4634 117.3777 57.5362 30.1035 176.7009 24 D 4.9276 7.6137 121.4666 54.2715 41.3610 177.0907 25 E 4.7466 7.7184 111.9500 56.2535 33.6396 178.4721 26 L 4.2185 7.6181 122.3344 58.2643 42.4864 178.8098 27 E 3.8698 8.1357 115.4937 58.0453 30.3450 182.2114 28 D 4.3161 7.7524 118.0821 54.6293 39.6039 182.6268 29 V 4.1803 7.5020 121.9916 61.2970 34.7403 175.8934 30 A 4.5938 7.7466 124.2664 49.0729 21.2791 174.7672 31 P 4.2169 0.0000 0.0000 64.7911 31.6981 177.5535 32 D 3.8831 8.0163 117.7916 57.3530 40.7057 178.6037 33 L 4.1223 7.6386 119.6683 57.9780 42.1882 178.5043 34 A 4.1483 8.2629 120.8507 54.5376 18.1158 179.6633 35 R 4.0481 8.3579 118.2598 59.8345 30.2470 178.5175 36 F 4.2997 7.8845 117.7925 60.7877 38.9367 178.2113 37 V 3.9115 8.2147 118.7465 64.6180 31.3630 178.5063 38 A 4.0373 8.0194 121.5811 54.9689 18.1055 179.5241 39 E 4.0635 9.1186 116.7263 59.3301 29.6017 178.5608 40 F 4.5329 8.7195 119.9695 60.3225 39.8819 177.3672 41 A 3.8062 8.2154 119.7534 55.0052 18.2865 178.4081 42 Y 4.2073 8.0333 113.9423 60.2085 38.8827 177.8293 43 G 4.0106 8.1637 104.9768 45.6564 0.0000 173.1764 44 D 4.6767 8.0148 118.5914 54.6315 43.2759 176.6578 45 V 4.0939 7.2040 110.6456 62.5627 33.6733 177.4385 46 Y 4.0991 7.5750 120.1482 60.3782 38.6407 176.4872 47 S 4.2276 7.8830 111.4002 59.0162 63.3091 174.5167 48 R 4.1151 7.3268 120.1119 56.2807 30.6341 176.8520 49 G 4.1251 8.1980 109.4287 45.0041 0.0000 173.9494 50 V 3.8478 7.7288 118.3133 63.4190 32.4899 175.3143 51 L 4.6981 7.5769 121.1539 52.9060 44.2448 176.8563 52 D 4.4707 8.5963 124.2102 55.6883 41.3853 176.2029 53 L 4.0870 8.3894 123.1646 58.0332 42.3911 179.4037 54 K 4.1143 8.0008 117.7785 59.8754 32.1007 178.9794 55 T 3.8546 7.9370 115.3023 66.8950 67.5495 176.3667 56 R 4.0227 8.1597 119.6759 58.7299 29.4654 177.7807 57 E 4.5843 8.2981 118.0086 58.5331 29.9388 178.3919 58 L 4.1144 7.8286 118.8107 57.4189 41.7470 179.0560 59 L 3.9586 7.9458 119.0953 58.3027 41.6148 179.5063 60 T 3.8541 7.3635 115.8144 66.9216 68.1835 176.4850 61 L 4.1020 7.6537 119.0981 57.0490 41.2770 179.4718 62 A 3.9740 8.0696 121.0472 54.9578 18.3842 179.2547 63 A 3.9629 8.2746 119.7077 55.6241 18.3729 179.9857 64 L 3.9996 7.9025 117.0826 58.1353 41.0532 180.0072 65 T 3.9207 7.6772 115.9360 66.4458 68.1097 176.9798 66 V 3.6988 7.3697 119.2304 65.5329 31.6909 177.2869 67 L 4.2760 7.6647 115.5377 54.1469 41.7646 176.8202 68 R 3.7918 7.3455 115.6476 57.0637 28.5030 177.8872 69 A 4.3504 7.4664 121.2062 50.9162 16.4415 177.7275 70 D 4.3844 8.3011 123.1682 57.0565 41.1245 177.7828 71 D 4.4560 7.9770 119.3025 56.8214 39.7754 178.6477 72 Q 4.1489 8.0337 119.9821 57.7920 28.6050 178.4431 73 L 4.0120 7.9648 121.8165 58.0420 42.2221 179.1913 74 K 3.9654 7.7718 117.2977 59.3016 32.0368 179.3551 75 S 4.0852 7.9695 113.0458 61.7406 62.2381 175.6657 76 H 4.3380 8.1700 117.2504 57.9638 28.6790 177.7293 77 V 3.7651 7.5583 121.0055 65.7597 31.3827 177.5898 78 R 4.0331 7.8779 118.2681 59.7048 29.7302 178.2991 79 G 3.8126 8.0865 103.0417 45.9707 0.0000 175.1997 80 A 4.2372 8.2639 124.1365 55.0184 18.9886 179.6442 81 L 4.3153 7.8345 118.3343 57.5741 41.5071 179.4207 82 N 4.3297 8.1371 115.3654 56.0247 38.5812 175.7437 83 A 4.2442 7.4761 117.3762 52.4754 18.7244 177.9531 84 G 3.9906 7.9929 104.8503 45.0858 0.0000 173.8051 85 C 4.4120 8.2107 119.3993 59.0957 28.8052 173.8897 86 S 4.2554 10.2475 121.2617 58.0442 64.8690 175.5896 87 K 4.0265 8.4933 124.4064 59.9977 31.6818 179.9580 88 D 4.4216 8.0194 121.2012 58.5772 39.6128 181.7292 89 E 4.2035 8.1944 120.2881 59.1879 29.2137 179.5933 90 I 3.7900 7.5007 118.3349 64.6380 37.3304 178.3308 91 I 3.9332 7.5965 118.8236 64.2677 37.1651 178.0099 92 E 4.1996 8.2484 119.6137 59.3334 29.0517 180.4447 93 V 3.5967 7.2101 109.8344 61.8733 31.6622 177.3992 *95 I 4.1024 7.7482 121.5813 61.4687 39.3600 176.5529 96 Q 4.1451 7.6937 122.2940 55.8588 28.0058 177.0997 *98 A 4.1722 7.8843 121.2954 51.8535 20.9124 179.6937 99 V 3.4843 7.5892 114.9023 65.5772 31.6760 176.7458 100 Y 4.2731 7.7129 114.1104 58.8083 38.2365 175.6194 101 A 4.5911 8.1178 119.3057 50.6107 20.9950 176.6663 102 G 4.0960 8.0647 103.0343 45.2392 0.0000 174.6411 103 F 3.7743 9.3963 120.8264 60.3132 38.8253 176.5334 104 P 4.3137 0.0000 0.0000 65.3047 31.0658 178.4488 105 A 4.0463 8.2256 119.7792 54.7846 18.3827 179.3944 106 A 3.8535 7.8461 118.8845 55.1414 18.6986 179.3249 107 I 3.6087 7.8820 117.9650 64.7109 37.1753 177.8665 108 N 4.2267 7.9506 117.0279 56.7418 38.7958 176.6828 109 A 3.9590 7.8049 121.8229 55.0790 18.5137 179.5222 110 V 3.4553 8.2525 117.0763 66.4301 31.2387 178.2075 111 L 4.1203 7.9543 118.1390 57.6598 41.2481 179.5987 112 A 3.9250 7.6483 120.6933 54.9538 18.3869 179.3771 113 A 3.6190 8.1917 119.7135 54.9274 18.1224 179.4452 114 K 3.7122 7.9585 117.3094 60.0239 32.2843 178.1716 115 E 4.0668 7.4848 116.6093 59.6465 29.4751 179.4148 116 V 3.7741 7.2170 116.6643 65.7696 31.4486 177.5858 117 F 4.9654 7.9358 114.8168 58.5266 39.8885 176.0381 118 T 4.5738 7.1803 116.4228 61.2311 67.9523 174.1175 119 E 4.1720 8.2976 123.5145 56.4997 29.4409 177.1354 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 2 E 8.30 4.43 0.00 2.08 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 0.00 2.35 2.33 0.00 3 R 7.78 3.62 0.00 2.07 2.07 0.00 3.39 0.00 0.00 3.38 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 4 Y 8.01 4.20 0.00 2.96 3.08 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 5 R 7.49 3.91 0.00 2.00 2.13 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.65 0.00 6 R 8.10 4.18 0.00 1.92 2.20 0.00 3.38 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 7 G 8.12 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 0.00 0.00 0.00 *9 E 8.05 4.12 0.00 2.06 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 0.00 2.22 2.26 0.00 10 I 7.66 3.68 2.04 0.00 0.00 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 1.48 0.89 1.11 0.00 0.00 11 L 7.40 3.75 0.00 1.50 1.68 0.11 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.80 4.03 0.00 1.89 2.68 0.00 0.00 6.89 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.69 3.77 0.00 1.83 1.89 0.00 3.33 0.00 0.00 3.13 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 *15 N 7.96 4.46 0.00 2.71 2.65 0.00 0.00 7.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.67 4.05 0.00 1.85 1.94 0.00 3.30 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 17 K 7.97 4.28 0.00 1.79 1.88 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.50 7.81 18 S 7.86 4.25 0.00 3.99 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 19 Y 7.78 3.93 0.00 2.88 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 20 T 7.99 3.76 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 1.37 0.00 0.00 21 A 7.78 3.94 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 22 I 7.51 3.59 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.32 0.86 0.00 0.00 23 R 7.46 4.10 0.00 1.84 1.87 0.00 3.04 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.04 0.00 24 D 7.61 4.93 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.72 4.75 0.00 1.92 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 0.00 2.05 1.78 0.00 26 L 7.62 4.22 0.00 1.88 1.69 0.90 0.94 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 27 E 8.14 3.87 0.00 2.03 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 2.20 1.86 0.00 28 D 7.75 4.32 0.00 2.69 2.38 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 29 V 7.50 4.18 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 0.80 0.00 0.00 0.93 0.00 0.00 30 A 7.75 4.59 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 31 P 0.00 4.22 0.00 2.06 2.02 0.00 3.57 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.25 0.00 32 D 8.02 3.88 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.64 4.12 0.00 1.82 1.67 1.07 1.17 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 34 A 8.26 4.15 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 35 R 8.36 4.05 0.00 1.82 1.60 0.00 2.89 0.00 0.00 2.88 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.33 0.00 36 F 7.88 4.30 0.00 3.33 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 37 V 8.21 3.91 2.24 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 1.00 0.00 0.00 1.16 0.00 0.00 38 A 8.02 4.04 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 39 E 9.12 4.06 0.00 2.30 2.29 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 2.72 2.80 0.00 40 F 8.72 4.53 0.00 3.18 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.22 3.81 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 42 Y 8.03 4.21 0.00 3.15 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.16 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 44 D 8.01 4.68 0.00 2.70 2.32 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 45 V 7.20 4.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.71 0.00 0.00 46 Y 7.58 4.10 0.00 2.66 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 47 S 7.88 4.23 0.00 4.05 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 48 R 7.33 4.12 0.00 1.85 1.84 0.00 3.15 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 49 G 8.20 4.13 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 0.00 0.00 0.00 50 V 7.73 3.85 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 0.81 0.00 0.00 0.90 0.00 0.00 51 L 7.58 4.70 0.00 1.57 1.49 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.60 4.47 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.39 4.09 0.00 1.56 1.72 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.00 4.11 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.54 7.81 55 T 7.94 3.85 4.40 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 1.20 0.00 0.00 56 R 8.16 4.02 0.00 1.84 2.06 0.00 2.88 0.00 0.00 3.07 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 57 E 8.30 4.58 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 58 L 7.83 4.11 0.00 1.67 1.72 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.95 3.96 0.00 1.71 1.71 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.36 3.85 4.43 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 0.97 0.00 0.00 61 L 7.65 4.10 0.00 1.90 1.72 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.07 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.27 3.96 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 64 L 7.90 4.00 0.00 1.76 1.72 0.84 0.80 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 65 T 7.68 3.92 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 66 V 7.37 3.70 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 0.85 0.00 0.00 1.03 0.00 0.00 67 L 7.66 4.28 0.00 1.65 1.69 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.35 3.79 0.00 1.97 1.99 0.00 3.16 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 69 A 7.47 4.35 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 70 D 8.30 4.38 0.00 2.65 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 71 D 7.98 4.46 0.00 2.91 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 72 Q 8.03 4.15 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 73 L 7.96 4.01 0.00 1.98 1.78 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.77 3.97 0.00 1.87 1.81 0.00 1.70 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.62 7.81 75 S 7.97 4.09 0.00 3.86 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 76 H 8.17 4.34 0.00 3.28 3.37 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.56 3.77 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 1.03 0.00 0.00 0.99 0.00 0.00 78 R 7.88 4.03 0.00 2.15 2.14 0.00 3.21 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 79 G 8.09 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 0.00 0.00 0.00 80 A 8.26 4.24 1.45 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 0.00 0.00 0.00 81 L 7.83 4.32 0.00 1.92 1.78 1.15 0.98 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 82 N 8.14 4.33 0.00 2.88 2.91 0.00 0.00 7.01 7.50 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 83 A 7.48 4.24 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 84 G 7.99 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 0.00 0.00 0.00 85 C 8.21 4.41 0.00 3.11 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 86 S 10.25 4.26 0.00 3.83 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 87 K 8.49 4.03 0.00 1.51 1.34 0.00 1.17 0.00 0.00 0.61 0.00 0.00 2.42 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 1.07 7.81 88 D 8.02 4.42 0.00 2.68 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 89 E 8.19 4.20 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 90 I 7.50 3.79 2.17 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.99 0.99 0.00 0.00 91 I 7.60 3.93 1.95 0.00 0.00 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 1.91 0.91 0.96 0.00 0.00 92 E 8.25 4.20 0.00 2.19 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 2.53 2.51 0.00 93 V 7.21 3.60 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.99 0.00 0.00 *95 I 7.75 4.10 1.99 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 1.56 0.75 0.87 0.00 0.00 96 Q 7.69 4.15 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.38 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 *98 A 7.88 4.17 0.70 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 0.00 0.00 99 V 7.59 3.48 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 100 Y 7.71 4.27 0.00 3.06 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 0.00 101 A 8.12 4.59 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 0.00 102 G 8.06 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 0.00 103 F 9.40 3.77 0.00 3.13 3.19 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 0.00 104 P 0.00 4.31 0.00 2.19 2.15 0.00 3.63 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 105 A 8.23 4.05 1.42 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 0.00 0.00 106 A 7.85 3.85 1.24 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 0.00 0.00 107 I 7.88 3.61 1.92 0.00 0.00 1.00 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 0.77 0.95 0.00 0.00 108 N 7.95 4.23 0.00 2.84 3.02 0.00 0.00 7.18 8.98 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 0.00 109 A 7.80 3.96 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 0.00 110 V 8.25 3.46 2.18 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 0.99 0.00 0.00 0.93 0.00 0.00 111 L 7.95 4.12 0.00 1.91 1.70 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.65 3.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.96 3.71 0.00 1.69 2.03 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.55 7.81 115 E 7.48 4.07 0.00 2.03 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 2.54 2.45 0.00 116 V 7.22 3.77 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 1.07 0.00 0.00 0.90 0.00 0.00 117 F 7.94 4.97 0.00 3.19 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 0.00 118 T 7.18 4.57 4.42 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 1.24 0.00 0.00 119 E 8.30 4.17 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.