NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2619 8.1593 117.3738 63.5547 69.6969 174.1891 2 S 4.4090 8.3783 122.0387 55.9709 66.4148 173.3046 3 K 4.0456 9.1430 123.0068 59.5630 32.3463 179.6205 4 K 3.8695 8.0701 118.2750 59.6257 31.8292 178.9716 5 K 4.0034 7.8280 117.8812 58.8550 32.0369 177.8397 6 R 4.4309 7.4974 116.0857 56.2320 30.4615 177.1514 7 Q 3.9334 8.0383 120.6029 58.1657 29.0544 175.9623 8 R 3.9827 7.8721 116.6368 59.3785 29.9245 176.1906 9 G 4.0794 8.9613 111.0120 45.5591 0.0000 173.9184 10 S 4.2339 8.3013 113.6130 58.0901 63.3600 173.7864 11 R 4.0631 7.7374 123.7892 57.5534 29.3228 176.3618 12 T 4.2534 7.5845 104.8719 61.5119 69.6969 174.2752 13 H 4.4575 8.4018 117.7030 56.1034 26.8702 175.5645 14 G 3.8963 8.3849 103.9510 46.1392 0.0000 174.7601 15 G 3.8848 8.3843 107.4002 44.9176 0.0000 176.3078 16 G 3.9190 7.8377 107.0033 45.1297 0.0000 174.3388 17 S 4.1556 8.6037 117.7442 58.7219 62.6760 174.6209 18 H 4.5420 8.8970 120.5131 56.8439 28.1112 175.7563 19 K 4.1399 7.6630 118.5715 56.9809 31.9837 177.4162 20 N 4.3848 7.7745 117.2304 55.6994 39.2048 177.3692 21 R 4.4269 7.4793 119.6460 56.3291 28.7688 177.4911 22 R 4.5936 7.3429 122.7597 56.2840 31.1664 179.6977 23 G 4.0341 8.4983 121.8053 45.9021 0.0000 173.6702 24 A 4.1847 8.6380 121.7536 54.0689 19.1278 180.1258 25 G 3.6159 8.1047 105.2893 48.6789 0.0000 175.2264 26 H 4.4278 8.0346 118.1460 57.9710 28.7719 175.7776 27 R 4.3976 8.1599 117.1953 55.6385 30.5530 176.6550 28 G 3.8025 8.3685 105.3491 46.7154 0.0000 173.8061 29 G 4.1773 7.2664 103.6643 43.3272 0.0000 174.7680 30 R 3.9803 8.7425 121.3883 57.1421 31.7129 176.1851 31 G 3.7309 8.1871 113.4806 47.5484 0.0000 173.4558 32 D 4.7199 8.6557 124.2234 53.7344 40.6306 175.5209 33 A 4.0930 7.4919 122.6009 54.0931 18.7177 179.1606 34 G 3.8368 8.9688 109.5698 45.2613 0.0000 175.1418 35 R 4.0458 8.0023 116.1430 57.0402 29.2433 177.2941 36 D 5.0937 7.9171 115.8698 52.8336 42.2892 176.0142 37 K 4.4080 8.9974 118.1746 56.8279 32.2926 178.5750 38 H 4.2618 9.8761 126.2341 58.5163 28.9023 175.5991 39 E 4.7809 7.5088 120.7545 55.6957 30.2666 177.9444 40 F 4.9503 8.4051 114.8555 59.3294 38.5822 175.6695 41 H 3.3734 6.3986 116.5538 57.3759 29.2734 174.5083 42 N 4.1632 8.7165 119.6992 54.1334 35.6172 174.5206 43 H 4.7865 7.6476 112.4943 54.0113 33.3073 174.1668 44 E 4.0643 8.9295 124.4022 55.6931 29.8963 175.3174 45 P 4.4106 0.0000 0.0000 62.7000 31.8038 176.1739 46 L 4.1005 8.1088 119.6672 55.1747 42.2070 175.7179 47 G 4.1660 8.1322 105.7419 43.7801 0.0000 173.3297 48 K 4.5905 8.2204 119.0179 54.5715 34.0984 176.4982 49 S 4.4238 8.0865 115.9717 57.5256 65.3426 174.9483 50 G 3.9867 9.2234 117.9923 45.6833 0.0000 170.7851 51 F 4.9466 8.3562 114.5302 55.8489 40.9020 173.2505 52 K 4.2345 8.2506 118.4656 54.5554 35.4864 176.5171 53 R 4.5069 8.0536 121.3264 54.0421 31.6017 174.7549 54 P 4.3076 0.0000 0.0000 63.0922 31.4213 177.1283 55 Q 3.9582 8.9442 121.0797 59.0410 28.7446 178.6956 56 K 4.4348 7.9566 113.6663 56.8963 32.8335 176.9605 57 V 4.2428 8.0286 117.8976 62.8296 32.0659 174.8223 58 Q 4.4985 7.5397 117.0951 54.9934 29.8094 174.8745 59 E 4.3545 8.5432 122.4197 54.9018 31.2632 175.0414 60 E 4.4733 8.3483 123.2333 54.3392 31.8899 174.2051 61 A 4.3387 8.3178 129.0557 50.7884 20.4722 176.0682 62 A 4.4713 9.0294 125.3226 51.1350 19.9976 176.6563 63 T 5.5028 8.1685 111.9199 60.0397 72.0661 173.5671 64 I 4.4113 7.7609 119.6536 60.3129 41.5080 173.0815 65 D 5.1684 8.6166 128.5632 53.3872 42.2700 177.7675 66 V 3.6202 8.7008 117.0605 64.9025 31.6374 178.8770 67 R 4.0168 7.8961 117.7152 59.3502 29.4655 178.2863 68 E 3.8843 8.1718 118.6745 59.2360 30.0494 178.1751 69 I 3.7761 7.7369 119.2848 64.6187 36.7338 177.4050 70 D 4.3504 8.4890 118.8333 57.6936 40.8754 178.1223 71 E 4.2729 7.9469 115.8200 57.8781 29.5977 177.1128 72 N 5.0218 7.9295 116.0076 52.8316 40.2560 176.7677 73 V 3.2911 7.4229 113.9236 64.6417 31.6959 178.0614 74 T 3.9852 7.6667 108.1737 64.7203 68.7696 175.3306 75 L 4.0568 7.8950 120.9860 57.2837 42.0401 178.1736 76 L 4.3195 8.1838 119.8617 53.8393 40.7329 178.2938 77 A 4.0178 7.9549 122.5430 55.4114 18.8411 178.7155 78 A 4.4402 7.7628 117.6051 52.2143 18.4570 176.9767 79 D 4.7248 8.0714 119.5301 55.7213 45.4266 175.5056 80 D 4.2558 7.5617 121.4660 49.6657 41.3191 175.5137 81 V 4.5913 8.4399 122.7010 61.2802 33.9483 174.5343 82 A 4.5686 7.8513 128.5272 50.7868 21.8398 175.4427 83 E 3.6422 8.7232 113.8981 58.8577 29.8447 176.8356 *89 F 4.5393 7.7584 117.7765 57.4550 41.2012 173.8051 90 R 5.1494 8.7601 119.6349 54.8419 32.4297 174.6351 91 V 4.4635 8.6691 126.1643 59.9784 34.9478 174.5979 92 D 4.9098 8.7905 123.9583 53.1506 40.3141 176.9390 93 V 3.5266 8.6119 126.2908 65.9967 31.9072 178.4907 94 R 4.3665 7.4399 115.9811 59.5738 29.9154 177.1550 95 D 4.6479 8.4037 114.8048 54.7051 41.2888 176.8982 96 V 4.0488 8.9854 119.3091 64.1297 32.7243 176.5551 97 V 3.6998 7.5589 119.1285 62.5803 31.7478 175.4402 98 E 4.2060 8.5678 126.6145 56.9719 30.1294 175.5685 99 E 3.6987 8.5717 116.4341 57.9677 26.6505 174.9972 100 A 4.6016 8.1436 118.2203 52.2583 19.0849 177.9180 101 D 4.7392 7.9441 118.1369 57.3591 42.4015 178.1153 102 D 4.5397 8.0028 114.0059 53.9651 39.6446 175.8698 103 A 4.3627 7.1961 122.3923 51.4594 19.7808 177.3116 104 D 4.4715 8.6889 119.6924 54.6154 41.8741 175.9009 105 Y 4.8344 6.6026 119.1249 57.6537 39.7013 171.3294 106 V 4.8962 8.1244 120.3979 61.2219 33.9635 174.3366 107 K 4.7606 9.2786 128.7706 54.5555 35.6320 174.5865 108 V 4.6213 8.2391 127.5689 61.7248 33.0623 174.7262 109 L 4.7562 9.4513 128.7759 52.5423 44.3935 176.8454 110 G 4.1288 8.1880 108.6372 45.4131 0.0000 173.5581 111 A 4.5887 7.8196 121.3548 51.6961 21.6869 179.5539 112 G 4.0106 8.9195 109.4934 44.6073 0.0000 172.2887 113 Q 4.5167 8.1273 116.9936 54.2448 30.8477 175.3055 114 V 4.4943 8.0616 117.8589 61.6363 33.5814 175.7735 115 R 4.6735 9.0936 129.8040 55.3020 30.6883 175.1311 116 H 4.9175 7.7400 111.7363 54.9296 33.3747 173.9967 117 E 4.6599 8.9450 120.3093 55.8679 29.9974 175.9678 118 L 5.0504 8.5897 124.5477 53.2214 45.6404 176.0342 119 T 4.7305 8.8949 120.0957 61.9941 70.0969 172.4740 120 L 5.1466 8.5222 126.5783 53.3382 44.2419 175.7726 121 I 5.7748 8.8680 123.8196 58.9838 39.7718 174.6358 122 A 4.9593 8.6780 127.2439 50.7559 22.5862 175.9509 123 D 4.4361 8.2660 117.0733 56.3050 41.4132 176.7014 124 D 4.5205 7.0328 115.4331 53.4956 44.3298 174.2157 125 F 5.4705 9.0747 121.6138 54.9282 43.6226 173.8411 126 S 4.6901 8.5944 114.5368 56.8636 65.7080 174.3045 127 E 3.9977 9.2155 119.4777 60.1444 29.1418 179.7343 128 G 3.8570 8.2779 104.3567 48.1756 0.0000 175.1289 129 A 4.0546 7.6983 121.5658 55.2302 18.4533 179.7905 130 R 3.7691 8.2102 116.5943 59.2963 30.1983 178.8248 131 E 3.9374 8.5410 118.4910 59.7740 29.3200 180.1678 132 K 3.9438 8.0674 117.9889 59.5636 32.1956 179.7057 133 V 3.7081 7.9708 118.5938 65.8415 31.3727 178.0123 134 E 4.8020 8.1657 120.3155 58.8458 29.3318 179.2214 135 G 3.8725 7.9286 103.4720 46.3605 0.0000 173.5479 136 A 4.6157 7.3870 122.3176 51.7586 19.9960 176.4146 137 G 3.7656 8.4162 103.7406 47.5455 0.0000 173.0047 138 G 4.6163 7.5240 104.6351 44.7495 0.0000 171.7518 139 S 5.0491 8.8821 113.2637 56.3980 67.0670 173.2310 140 V 4.3371 8.1371 120.1962 61.1583 33.4355 174.3504 141 E 4.5133 9.4985 129.5675 54.6030 31.2437 175.0478 142 L 4.9147 8.4834 127.8061 54.5829 42.7237 176.6544 143 T 4.0829 8.9069 123.5548 63.8270 69.5420 175.1909 144 D 4.4190 8.8252 122.6446 57.5240 41.3112 179.0093 145 L 3.8826 8.1429 120.0078 58.1508 42.0621 178.2772 146 G 3.7755 7.4492 104.5955 47.2919 0.0000 173.3288 147 E 4.3597 7.7772 120.5293 57.0654 28.8249 176.9886 148 E 4.6495 7.9039 113.2464 56.4171 31.1786 178.3652 149 R 4.3025 7.6041 119.2663 52.9403 28.7874 176.3766 150 Q 4.2902 7.5457 121.8211 56.9464 29.2413 172.9858 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 T 8.16 4.26 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 1.20 0.00 0.00 2 S 8.38 4.41 0.00 4.09 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 3 K 9.14 4.05 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.52 7.81 4 K 8.07 3.87 0.00 1.83 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.83 4.00 0.00 1.75 2.02 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.53 7.81 6 R 7.50 4.43 0.00 1.93 1.91 0.00 3.20 0.00 0.00 3.21 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 7 Q 8.04 3.93 0.00 1.84 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.52 2.34 0.00 8 R 7.87 3.98 0.00 1.79 1.92 0.00 3.36 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 9 G 8.96 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 10 S 8.30 4.23 0.00 3.95 3.96 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 11 R 7.74 4.06 0.00 1.96 2.04 0.00 3.20 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 12 T 7.58 4.25 4.33 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 1.32 0.00 0.00 13 H 8.40 4.46 0.00 3.23 3.37 0.00 5.71 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 14 G 8.38 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 0.00 0.00 0.00 15 G 8.38 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 0.00 0.00 0.00 16 G 7.84 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 0.00 0.00 0.00 17 S 8.60 4.16 0.00 3.87 3.75 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 18 H 8.90 4.54 0.00 3.31 3.37 0.00 5.57 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.66 4.14 0.00 1.75 1.81 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.30 7.81 20 N 7.77 4.38 0.00 2.71 2.57 0.00 0.00 6.95 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 21 R 7.48 4.43 0.00 1.78 1.91 0.00 3.17 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 22 R 7.34 4.59 0.00 1.74 0.99 0.00 3.28 0.00 0.00 3.20 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 23 G 8.50 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 0.00 0.00 0.00 24 A 8.64 4.18 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 25 G 8.10 3.62 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 0.00 0.00 0.00 26 H 8.03 4.43 0.00 3.10 3.49 0.00 5.90 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.16 4.40 0.00 1.88 1.87 0.00 3.27 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 28 G 8.37 3.80 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 0.00 0.00 0.00 29 G 7.27 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 0.00 0.00 0.00 0.00 30 R 8.74 3.98 0.00 1.91 1.82 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 31 G 8.19 3.73 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 0.00 0.00 0.00 32 D 8.66 4.72 0.00 2.73 2.67 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 33 A 7.49 4.09 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 34 G 8.97 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 35 R 8.00 4.05 0.00 1.57 1.93 0.00 3.00 0.00 0.00 3.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 36 D 7.92 5.09 0.00 2.75 2.76 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 37 K 9.00 4.41 0.00 1.81 1.41 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.52 7.81 38 H 9.88 4.26 0.00 3.32 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.51 4.78 0.00 1.75 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 2.19 2.05 0.00 40 F 8.41 4.95 0.00 3.11 3.14 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 41 H 6.40 3.37 0.00 2.88 3.05 0.00 5.85 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.72 4.16 0.00 2.75 2.77 0.00 0.00 6.82 8.16 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 43 H 7.65 4.79 0.00 3.39 3.18 0.00 5.91 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.93 4.06 0.00 1.98 1.92 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 2.33 2.33 0.00 45 P 0.00 4.41 0.00 2.19 2.09 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 46 L 8.11 4.10 0.00 1.66 1.65 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.13 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 48 K 8.22 4.59 0.00 1.76 1.75 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.40 7.81 49 S 8.09 4.42 0.00 3.77 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 50 G 9.22 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 51 F 8.36 4.95 0.00 3.14 2.98 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 52 K 8.25 4.23 0.00 1.66 1.59 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.36 7.81 53 R 8.05 4.51 0.00 1.75 1.87 0.00 3.30 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.48 0.00 54 P 0.00 4.31 0.00 2.22 2.21 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 55 Q 8.94 3.96 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.03 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 56 K 7.96 4.43 0.00 1.85 1.90 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.42 7.81 57 V 8.03 4.24 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 0.84 0.00 0.00 0.98 0.00 0.00 58 Q 7.54 4.50 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.46 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 59 E 8.54 4.35 0.00 1.93 1.72 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 2.47 2.28 0.00 60 E 8.35 4.47 0.00 1.92 1.68 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 2.15 2.19 0.00 61 A 8.32 4.34 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 62 A 9.03 4.47 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 63 T 8.17 5.50 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 1.21 0.00 0.00 64 I 7.76 4.41 1.85 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 1.34 1.22 0.94 0.00 0.00 65 D 8.62 5.17 0.00 2.75 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 66 V 8.70 3.62 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 0.87 0.00 0.00 1.00 0.00 0.00 67 R 7.90 4.02 0.00 1.97 2.01 0.00 3.09 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 68 E 8.17 3.88 0.00 1.98 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 2.30 2.33 0.00 69 I 7.74 3.78 2.00 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 1.52 0.46 0.89 0.00 0.00 70 D 8.49 4.35 0.00 2.84 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 71 E 7.95 4.27 0.00 2.00 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 2.34 2.63 0.00 72 N 7.93 5.02 0.00 2.64 2.69 0.00 0.00 6.88 7.25 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 73 V 7.42 3.29 0.67 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 0.39 0.00 0.00 0.28 0.00 0.00 74 T 7.67 3.99 4.25 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 1.19 0.00 0.00 75 L 7.90 4.06 0.00 1.72 1.76 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.18 4.32 0.00 1.76 1.75 0.87 0.75 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 77 A 7.95 4.02 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 78 A 7.76 4.44 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 79 D 8.07 4.72 0.00 2.76 2.58 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 0.00 0.00 0.00 80 D 7.56 4.26 0.00 3.02 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 81 V 8.44 4.59 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 0.42 0.00 0.00 0.98 0.00 0.00 82 A 7.85 4.57 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 83 E 8.72 3.64 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 2.27 2.36 0.00 *89 F 7.76 4.54 0.00 3.02 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 90 R 8.76 5.15 0.00 1.84 1.82 0.00 3.22 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.67 4.46 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 0.70 0.00 0.00 0.95 0.00 0.00 92 D 8.79 4.91 0.00 2.78 2.78 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 0.00 0.00 0.00 0.00 93 V 8.61 3.53 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 94 R 7.44 4.37 0.00 2.11 2.04 0.00 3.22 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 95 D 8.40 4.65 0.00 2.72 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 96 V 8.99 4.05 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 0.74 0.00 0.00 0.93 0.00 0.00 97 V 7.56 3.70 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 0.84 0.00 0.00 0.96 0.00 0.00 98 E 8.57 4.21 0.00 1.99 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 0.00 2.30 2.32 0.00 99 E 8.57 3.70 0.00 2.10 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 2.19 2.27 0.00 100 A 8.14 4.60 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 0.00 101 D 7.94 4.74 0.00 2.68 2.67 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 0.00 102 D 8.00 4.54 0.00 2.75 2.76 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 0.00 103 A 7.20 4.36 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 0.00 104 D 8.69 4.47 0.00 2.42 2.30 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 0.00 105 Y 6.60 4.83 0.00 3.20 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 0.00 106 V 8.12 4.90 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 0.90 0.00 0.00 0.94 0.00 0.00 107 K 9.28 4.76 0.00 1.91 1.65 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.47 7.81 108 V 8.24 4.62 1.80 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 1.00 0.00 0.00 0.75 0.00 0.00 109 L 9.45 4.76 0.00 1.77 1.55 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.19 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 0.00 111 A 7.82 4.59 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 0.00 112 G 8.92 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 0.00 113 Q 8.13 4.52 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 114 V 8.06 4.49 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 1.00 0.00 0.00 0.95 0.00 0.00 115 R 9.09 4.67 0.00 1.56 1.77 0.00 3.21 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 116 H 7.74 4.92 0.00 3.04 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.94 4.66 0.00 1.92 2.12 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 2.32 2.39 0.00 118 L 8.59 5.05 0.00 1.61 1.58 0.95 0.70 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 0.00 119 T 8.89 4.73 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 0.00 120 L 8.52 5.15 0.00 1.84 1.85 1.09 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.87 5.77 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.73 1.03 0.00 0.00 122 A 8.68 4.96 0.65 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 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.27 4.44 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.03 4.52 0.00 2.39 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 0.00 0.00 0.00 0.00 125 F 9.07 5.47 0.00 2.85 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 0.00 126 S 8.59 4.69 0.00 3.92 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 0.00 127 E 9.22 4.00 0.00 2.05 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 2.42 2.42 0.00 128 G 8.28 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 0.00 0.00 0.00 129 A 7.70 4.05 1.59 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 0.00 130 R 8.21 3.77 0.00 2.01 1.91 0.00 3.16 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.64 0.00 131 E 8.54 3.94 0.00 1.99 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 2.34 2.54 0.00 132 K 8.07 3.94 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.68 7.81 133 V 7.97 3.71 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 1.04 0.00 0.00 1.03 0.00 0.00 134 E 8.17 4.80 0.00 1.99 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 0.00 2.38 2.26 0.00 135 G 7.93 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.39 4.62 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 0.00 137 G 8.42 3.77 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 0.00 0.00 0.00 138 G 7.52 4.62 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 0.00 0.00 0.00 139 S 8.88 5.05 0.00 3.81 3.87 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 0.00 0.00 0.00 0.00 140 V 8.14 4.34 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 -0.90 0.00 0.00 0.35 0.00 0.00 141 E 9.50 4.51 0.00 2.00 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 2.23 2.21 0.00 142 L 8.48 4.91 0.00 1.69 1.61 1.18 1.10 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 0.00 143 T 8.91 4.08 4.36 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 1.26 0.00 0.00 144 D 8.83 4.42 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 0.00 145 L 8.14 3.88 0.00 1.61 1.85 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.45 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 7.78 4.36 0.00 2.08 1.97 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 2.35 2.47 0.00 148 E 7.90 4.65 0.00 1.86 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 2.18 2.47 0.00 149 R 7.60 4.30 0.00 1.79 1.89 0.00 3.45 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 150 Q 7.55 4.29 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.