NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3365 8.2493 123.5776 51.9790 19.9417 175.8753 4 R 4.4286 8.0398 115.4613 53.4992 32.1179 173.6711 5 I 3.7425 8.5062 122.8068 61.4694 38.6716 176.6285 6 S 4.6111 8.2987 119.2055 58.7925 65.2074 173.1379 7 L 4.9584 7.2776 118.5984 53.7576 45.0499 174.2558 8 F 4.8124 9.1720 123.8918 55.5095 41.8034 174.2495 9 A 5.0542 8.5295 124.0057 49.9893 22.0067 175.3482 10 V 4.2593 8.3586 120.2299 60.9468 34.9969 174.4885 11 V 4.4145 8.4910 127.5620 62.1027 32.3990 175.2151 12 V 4.8733 8.8276 121.4115 59.7717 34.0926 177.0286 13 E 4.0563 9.7451 124.5631 58.8387 29.8602 175.9359 14 D 4.5632 7.5573 115.9900 52.8624 44.7460 174.9240 *16 A 4.6330 8.3538 121.4140 52.2459 20.3481 178.3276 17 K 4.2268 8.6020 115.2929 59.8276 32.4332 180.5814 18 S 4.3370 8.1608 115.4253 58.4813 62.2478 176.1361 *20 E 4.2162 8.3965 122.3250 56.3330 31.1997 177.2857 21 F 3.6688 7.9604 118.9691 61.6017 39.6690 176.5269 22 Y 3.9688 8.0370 116.2295 60.5799 37.3722 178.1020 23 R 4.0650 7.9360 118.7386 59.1802 30.6574 179.9810 24 K 4.2162 7.5589 118.8575 55.7397 31.3476 178.0916 *26 G 3.8548 7.9461 106.8208 44.7641 0.0000 173.7440 27 V 3.7424 7.6880 120.6674 62.2917 31.9765 175.4151 28 E 4.0747 8.8169 127.6394 56.6205 28.5886 175.0620 29 I 4.5114 7.9348 126.8091 58.6472 38.8187 174.1161 30 P 4.3940 0.0000 0.0000 62.7714 31.7137 175.9689 31 A 3.9596 8.6823 123.8190 53.5981 19.5324 178.1761 32 E 3.7664 9.1715 117.6000 56.6936 27.6037 176.4025 33 A 4.1012 7.5759 123.1976 54.9944 18.6519 180.0347 34 D 4.3880 8.1638 115.4758 57.0882 40.9652 177.8416 35 S 4.5702 7.9042 112.7155 58.2741 63.3674 174.0158 36 A 4.5140 7.6130 124.3080 50.6215 19.6664 176.0515 37 P 4.5525 0.0000 0.0000 65.2634 32.9120 175.5401 38 H 5.4717 8.0351 119.5809 55.0882 32.8393 172.5423 39 T 4.8790 9.1650 121.7316 61.8209 72.5236 172.6901 40 E 5.2653 8.9590 123.1140 54.6048 32.9732 174.9537 41 A 4.9321 9.3545 125.6360 50.2988 22.1454 175.3979 42 V 4.4883 8.3748 120.3219 61.3762 33.3792 175.1160 43 L 4.8277 8.8606 129.7726 52.9672 45.1738 176.2006 *44 D 4.5718 8.5760 118.7701 55.2318 39.8987 176.7786 45 G 3.9401 8.7568 110.8855 44.5451 0.0000 174.5940 46 G 3.9415 8.1103 107.3315 44.7899 0.0000 173.8513 47 I 3.9762 7.5401 120.6757 61.9501 38.3198 174.9942 48 R 5.0293 8.6975 124.7760 54.5072 32.9358 174.7998 49 L 4.8435 8.6714 124.9772 53.2898 43.9702 175.0176 50 A 5.0447 8.6186 127.5986 49.7750 22.8840 174.5380 51 W 5.3552 9.2351 118.9868 54.9820 33.3654 174.3560 52 D 5.5285 9.0926 123.3718 52.4509 44.0672 175.8374 53 T 4.3881 8.6725 112.9973 61.3825 69.9915 175.5323 54 V 3.0351 8.1333 122.1933 66.3609 31.1239 178.3703 55 E 3.9545 7.9805 116.7185 59.5750 29.6563 179.0505 56 T 4.0206 7.4374 114.5133 66.6800 68.5211 176.8758 57 V 3.1363 7.7157 120.1250 65.9731 31.3264 178.1103 58 R 4.0239 7.6930 115.7827 58.1789 29.9237 178.6643 59 S 4.3097 7.6092 113.9178 60.4514 63.1279 174.8890 60 Y 4.7964 7.3807 117.8022 56.0746 40.8511 174.9597 61 D 4.8052 7.5755 120.2348 51.8644 41.0211 174.1605 62 P 4.3381 0.0000 0.0000 65.3997 31.9774 178.3651 63 E 4.0919 8.1020 117.2922 57.6976 29.6601 176.9694 64 W 4.1694 8.0483 130.0090 57.6156 31.1376 174.9533 65 Q 3.9459 6.9797 121.2918 53.5625 31.1707 174.5962 66 A 3.5175 7.5035 122.1918 51.3168 18.9912 175.6542 67 P 4.5890 0.0000 0.0000 62.1761 32.8821 175.4773 68 T 4.6287 7.9677 113.8314 62.9346 72.6208 175.5025 69 G 3.8916 8.8275 110.3735 45.0798 0.0000 173.1449 70 G 3.9060 8.3207 112.9641 44.8923 0.0000 172.2186 71 H 4.6711 8.4331 114.9807 55.0867 29.4558 175.7751 72 R 4.3394 8.7377 120.4324 57.0220 30.8118 176.2719 73 F 5.1478 8.1724 110.6550 54.8535 41.0499 173.5666 74 A 4.5933 8.2981 121.4526 50.4356 22.4897 175.2699 75 I 4.4566 8.5054 120.6383 59.4875 39.7130 174.5480 76 A 5.3049 8.5926 128.7171 50.3437 21.0415 175.3458 77 F 4.6418 9.6741 122.4546 55.9415 41.2115 174.6555 78 E 3.8768 8.5314 124.6667 54.7637 29.7260 175.0712 79 F 4.7818 8.7273 125.6259 54.9602 41.7523 175.0492 80 P 4.2177 0.0000 0.0000 64.4936 31.6490 175.4608 81 D 4.6076 7.1656 117.6231 52.5969 42.5395 175.7452 82 T 3.9344 8.3942 109.8573 64.5300 69.3454 176.6748 83 A 3.9925 7.9898 123.6205 54.9840 18.2094 179.5650 84 S 4.0874 8.2546 113.6964 61.2437 62.7226 177.0766 85 V 2.8430 7.4064 121.0229 65.9043 31.3024 177.7014 86 D 4.3204 7.8771 118.0853 57.2088 40.5931 178.7443 87 K 3.8888 7.9697 120.0022 59.4144 32.1977 178.8653 88 K 4.0027 8.0733 120.2263 59.4352 31.8966 177.8303 89 Y 3.9864 8.2976 120.1497 60.8163 38.6122 178.2879 90 A 4.0338 8.0908 121.3461 55.3015 18.6249 179.3479 91 E 3.9017 8.4561 117.4320 59.6461 29.4938 179.7531 92 L 4.1523 8.1325 119.1832 57.7307 41.6557 179.6378 93 V 3.8598 7.6390 119.5918 65.4822 31.1715 177.7193 94 D 4.3057 8.0201 117.6919 57.3159 40.8150 178.2227 95 A 4.1391 7.5263 118.3198 52.9101 18.4989 178.1292 96 G 3.8068 7.8010 105.5671 45.0648 0.0000 173.7524 97 Y 4.3549 7.5904 117.7616 57.1416 38.8623 174.2448 98 E 4.2013 8.7891 124.1538 56.0239 30.8703 175.5394 99 G 4.1678 8.6434 114.8560 45.5937 0.0000 172.1027 100 H 4.9306 9.5763 125.9102 57.6423 31.3079 175.2094 101 L 4.8395 7.9321 118.7507 52.3776 45.0322 176.2870 102 K 3.5084 8.7648 123.4711 55.6283 33.5107 175.0538 103 P 5.2110 0.0000 0.0000 62.7094 31.8441 175.4962 104 W 5.2212 8.3356 118.6326 55.1566 32.1850 173.6104 105 N 4.6971 8.7738 118.3777 52.0237 38.2295 175.2703 106 A 3.8341 8.1601 128.1016 51.0534 18.9240 178.6127 107 V 3.5062 7.9045 120.1013 65.2468 31.7225 176.9597 108 W 4.5854 7.4331 114.6261 56.4787 28.5140 176.4878 109 G 4.0045 8.7122 108.3291 45.6348 0.0000 172.9392 110 Q 5.0348 7.1891 116.4605 53.3557 33.5774 174.5107 111 R 4.3333 8.6601 123.3602 56.5268 31.2120 174.7286 112 Y 5.0298 8.3812 126.5213 56.0620 42.7927 173.5379 113 A 5.2511 8.3088 124.0285 51.2134 23.5580 175.2668 114 I 5.2489 9.1512 119.8836 59.8655 41.1723 175.4202 115 V 5.0703 9.2417 119.7134 59.5742 35.5888 174.4219 116 K 5.1120 8.6880 121.4416 54.6143 34.5737 176.7516 117 D 3.3700 8.6587 124.0120 51.3419 40.5215 175.4115 118 P 4.2670 0.0000 0.0000 65.4698 31.2025 177.3361 119 D 4.5894 8.2843 115.3288 54.4737 41.1922 177.0811 120 G 3.9914 8.2023 108.0799 44.8776 0.0000 173.6263 121 N 4.5147 8.5118 117.6924 53.0086 40.1464 174.3209 122 V 4.3171 7.8024 122.2400 62.1459 33.2708 174.6189 123 V 4.9962 9.0689 128.2611 61.3773 34.1195 173.8645 124 D 5.4147 9.3742 128.4560 53.2702 43.0790 175.4330 125 L 5.6251 8.9624 122.6660 53.0643 44.7253 175.6068 126 F 5.8211 9.4240 116.8937 56.4055 41.9261 172.8729 127 A 4.9348 8.4233 119.9492 49.6470 22.5320 173.9791 128 P 4.7844 0.0000 0.0000 62.7935 32.1852 176.2410 129 L 4.3237 8.4070 122.6975 53.4791 42.5516 175.5026 130 P 4.3853 0.0000 0.0000 63.4739 30.8993 175.9975 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 3 A 8.25 4.34 1.23 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 0.00 0.00 0.00 4 R 8.04 4.43 0.00 1.92 1.83 0.00 3.01 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.66 0.00 5 I 8.51 3.74 1.78 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 1.13 0.46 0.45 0.00 0.00 6 S 8.30 4.61 0.00 3.78 3.68 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 7 L 7.28 4.96 0.00 1.54 1.30 0.88 0.54 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 8 F 9.17 4.81 0.00 2.80 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 9 A 8.53 5.05 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.36 4.26 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 1.35 0.00 0.00 0.81 0.00 0.00 11 V 8.49 4.41 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 -0.05 0.00 0.00 0.67 0.00 0.00 12 V 8.83 4.87 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 1.27 0.00 0.00 1.02 0.00 0.00 13 E 9.75 4.06 0.00 1.98 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 2.73 2.49 0.00 14 D 7.56 4.56 0.00 2.68 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 4.63 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 17 K 8.60 4.23 0.00 1.88 1.93 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.64 7.81 18 S 8.16 4.34 0.00 3.87 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 *20 E 8.40 4.22 0.00 2.06 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 2.48 2.39 0.00 21 F 7.96 3.67 0.00 2.65 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 22 Y 8.04 3.97 0.00 2.98 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 23 R 7.94 4.07 0.00 1.77 2.08 0.00 3.23 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 24 K 7.56 4.22 0.00 1.48 1.65 0.00 1.95 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 *26 G 7.95 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.69 3.74 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.40 0.00 0.00 28 E 8.82 4.07 0.00 1.99 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 2.42 0.00 29 I 7.93 4.51 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.92 0.81 0.00 0.00 30 P 0.00 4.39 0.00 1.95 2.04 0.00 3.74 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 2.16 2.19 0.00 31 A 8.68 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.17 3.77 0.00 2.22 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 0.00 2.29 2.29 0.00 33 A 7.58 4.10 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 34 D 8.16 4.39 0.00 2.71 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 35 S 7.90 4.57 0.00 4.00 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 36 A 7.61 4.51 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 37 P 0.00 4.55 0.00 2.17 2.34 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 38 H 8.04 5.47 0.00 3.13 3.19 0.00 5.86 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 9.17 4.88 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 1.29 0.00 0.00 40 E 8.96 5.27 0.00 1.85 1.83 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 2.16 2.29 0.00 41 A 9.35 4.93 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 0.00 0.00 42 V 8.37 4.49 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 0.93 0.00 0.00 0.95 0.00 0.00 43 L 8.86 4.83 0.00 1.86 1.54 0.92 0.85 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 *44 D 8.58 4.57 0.00 2.69 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.76 3.94 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 0.00 46 G 8.11 3.94 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 0.00 47 I 7.54 3.98 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 1.07 0.00 0.00 48 R 8.70 5.03 0.00 1.68 1.77 0.00 3.49 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 49 L 8.67 4.84 0.00 1.53 1.23 0.53 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.62 5.04 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 51 W 9.24 5.36 0.00 3.20 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 52 D 9.09 5.53 0.00 2.51 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.67 4.39 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 1.22 0.00 0.00 54 V 8.13 3.04 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 1.16 0.00 0.00 0.88 0.00 0.00 55 E 7.98 3.95 0.00 1.94 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 0.00 2.32 2.46 0.00 56 T 7.44 4.02 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 1.31 0.00 0.00 57 V 7.72 3.14 1.65 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 0.71 0.00 0.00 0.67 0.00 0.00 58 R 7.69 4.02 0.00 1.86 1.96 0.00 3.28 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 59 S 7.61 4.31 0.00 4.07 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 60 Y 7.38 4.80 0.00 3.12 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 61 D 7.58 4.81 0.00 2.38 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 0.00 0.00 0.00 0.00 62 P 0.00 4.34 0.00 2.23 2.18 0.00 3.87 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 2.00 2.00 0.00 63 E 8.10 4.09 0.00 2.01 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 2.32 2.31 0.00 64 W 8.05 4.17 0.00 3.21 3.10 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 65 Q 6.98 3.95 0.00 1.82 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 66 A 7.50 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.59 0.00 2.21 2.08 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 68 T 7.97 4.63 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 1.20 0.00 0.00 69 G 8.83 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 70 G 8.32 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 71 H 8.43 4.67 0.00 3.34 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.74 4.34 0.00 1.98 2.10 0.00 3.24 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 73 F 8.17 5.15 0.00 3.16 2.99 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 74 A 8.30 4.59 1.18 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 0.00 0.00 75 I 8.51 4.46 2.18 0.00 0.00 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 1.29 1.03 0.79 0.00 0.00 76 A 8.59 5.30 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 77 F 9.67 4.64 0.00 3.11 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 78 E 8.53 3.88 0.00 1.58 1.58 0.00 0.00 0.00 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 1.50 0.00 79 F 8.73 4.78 0.00 2.89 2.88 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 80 P 0.00 4.22 0.00 2.18 2.16 0.00 3.98 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 2.03 1.97 0.00 81 D 7.17 4.61 0.00 2.92 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 82 T 8.39 3.93 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 1.21 0.00 0.00 83 A 7.99 3.99 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 84 S 8.25 4.09 0.00 4.11 4.03 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 85 V 7.41 2.84 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 0.97 0.00 0.00 0.75 0.00 0.00 86 D 7.88 4.32 0.00 2.89 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 87 K 7.97 3.89 0.00 1.80 1.74 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 88 K 8.07 4.00 0.00 1.75 1.34 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.54 1.40 7.81 89 Y 8.30 3.99 0.00 3.02 3.09 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 0.00 0.00 0.00 0.00 90 A 8.09 4.03 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 91 E 8.46 3.90 0.00 2.11 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 2.32 2.56 0.00 92 L 8.13 4.15 0.00 1.71 1.78 0.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.64 3.86 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 1.43 0.00 0.00 0.52 0.00 0.00 94 D 8.02 4.31 0.00 2.88 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 95 A 7.53 4.14 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 96 G 7.80 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 97 Y 7.59 4.35 0.00 3.27 2.88 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 98 E 8.79 4.20 0.00 2.08 1.86 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 2.44 2.36 0.00 99 G 8.64 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 0.00 0.00 0.00 100 H 9.58 4.93 0.00 3.20 3.64 0.00 5.90 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.93 4.84 0.00 1.81 1.49 0.72 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.76 3.51 0.00 1.50 1.74 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.43 7.81 103 P 0.00 5.21 0.00 1.95 1.91 0.00 3.28 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 104 W 8.34 5.22 0.00 3.26 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 0.00 105 N 8.77 4.70 0.00 2.58 2.74 0.00 0.00 6.88 7.31 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 0.00 106 A 8.16 3.83 -0.91 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 0.00 107 V 7.90 3.51 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 1.02 0.00 0.00 0.97 0.00 0.00 108 W 7.43 4.59 0.00 3.38 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 0.00 109 G 8.71 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.19 5.03 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.35 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 111 R 8.66 4.33 0.00 1.87 1.73 0.00 3.07 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 112 Y 8.38 5.03 0.00 2.03 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 0.00 113 A 8.31 5.25 1.15 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 0.00 0.00 0.00 114 I 9.15 5.25 2.21 0.00 0.00 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 1.80 1.46 1.10 0.00 0.00 115 V 9.24 5.07 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 0.81 0.00 0.00 1.12 0.00 0.00 116 K 8.69 5.11 0.00 1.58 1.65 0.00 1.69 0.00 0.00 1.94 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.37 7.81 117 D 8.66 3.37 0.00 1.58 2.16 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 0.00 118 P 0.00 4.27 0.00 2.10 2.23 0.00 3.42 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 119 D 8.28 4.59 0.00 2.92 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 0.00 120 G 8.20 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 0.00 121 N 8.51 4.51 0.00 3.07 2.66 0.00 0.00 6.91 7.87 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 0.00 122 V 7.80 4.32 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 0.93 0.00 0.00 0.71 0.00 0.00 123 V 9.07 5.00 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 1.38 0.00 0.00 1.21 0.00 0.00 124 D 9.37 5.41 0.00 2.77 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.96 5.63 0.00 1.43 1.37 0.90 1.03 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 0.00 126 F 9.42 5.82 0.00 3.17 2.41 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 0.00 127 A 8.42 4.93 1.27 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 0.00 0.00 128 P 0.00 4.78 0.00 2.14 2.17 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 129 L 8.41 4.32 0.00 1.74 1.62 0.93 0.85 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 0.00 130 P 0.00 4.39 0.00 2.17 2.06 0.00 3.78 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 1.98 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.