NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-2 H 4.6048 8.4449 117.3741 53.8550 30.5076 172.9828 -1 H 4.7279 9.1870 121.9651 53.3057 29.2527 172.7669 0 H 4.6462 8.9920 125.4190 56.6753 31.6185 175.5572 3 D 3.7675 7.5811 121.4903 55.2231 40.5789 173.4426 4 F 4.5948 7.9891 126.5239 57.1742 40.0574 177.0264 5 D 4.2535 8.7250 124.6526 57.1035 40.6543 178.7334 6 F 4.2672 8.0666 112.7328 58.7785 37.9312 175.9396 7 L 3.9274 7.4714 121.5539 55.9384 41.9119 176.7243 8 E 3.8727 7.6657 119.5171 57.4535 29.6610 177.4768 9 G 3.9217 8.0153 112.2623 44.9618 0.0000 173.9756 10 K 4.3558 7.4256 120.0714 56.5161 33.1295 176.3345 11 R 5.2088 8.3630 118.4289 54.9979 33.0077 173.8824 12 L 4.7928 8.9704 121.2306 54.1422 46.0487 174.5379 13 T 5.2739 8.5834 121.3344 61.9158 71.8447 173.1206 14 E 4.8023 9.2979 124.6551 54.6258 34.1234 174.3884 15 D 5.1693 8.7237 122.9252 53.7698 42.1519 175.9644 16 V 4.4890 8.9528 122.9342 60.8421 34.8769 174.1114 17 A 4.5905 8.6000 129.4975 51.4839 19.4182 176.9881 18 L 4.3458 9.1173 124.8324 54.0947 42.3467 176.9764 19 D 4.7322 8.3654 124.4198 51.7410 41.2792 176.0840 20 E 4.1272 8.5012 118.7404 58.2423 30.0859 176.9854 21 T 4.1679 7.6026 110.4316 61.5730 68.1456 174.9353 *23 V 4.0056 7.3833 119.2980 61.9208 32.8337 175.1057 24 W 4.5144 9.1005 133.2320 57.6235 30.4368 175.3340 25 N 4.7774 8.4877 121.5614 52.3314 37.6538 175.1346 26 E 3.9288 7.7188 120.0842 58.8565 29.7679 176.6400 27 D 4.6909 6.5931 117.0937 52.2635 42.9007 175.8455 28 I 3.8512 8.2939 129.5714 64.6229 37.6428 178.8471 29 E 4.1862 7.6700 116.6944 55.4749 28.6656 180.2039 *31 L 4.3376 8.0158 122.1098 55.2588 43.7178 178.9278 32 D 4.5711 7.9877 116.1626 55.0426 39.8312 177.3408 33 L 3.8777 8.0743 119.1880 56.2426 42.6090 176.5550 34 H 4.1054 7.7762 114.5577 56.2136 27.8526 174.0572 35 L 4.7556 7.4113 121.1272 55.2784 43.6829 178.0947 36 V 4.3580 8.6173 122.1887 62.1896 32.5987 175.8956 37 A 4.2278 8.6300 128.8803 52.1742 19.5061 178.4544 38 T 3.7259 8.7360 117.9689 66.8912 68.6523 177.2632 39 S 4.0856 8.0722 115.2965 61.3927 62.8951 176.1835 40 A 3.9675 7.9267 123.8552 54.9110 18.2082 179.4443 41 L 3.8616 7.8194 117.3023 57.8215 41.5317 179.8091 42 I 3.5871 7.7753 120.0089 64.2138 36.9912 178.7209 43 G 3.4282 8.0040 106.5627 47.5075 0.0000 175.7605 44 V 3.5317 7.8991 120.8998 65.9068 31.3219 178.3243 45 V 3.5398 7.6791 117.7255 66.2840 31.3513 177.6529 46 H 3.8350 8.0753 116.1763 58.7438 28.5225 177.6801 47 R 3.9154 8.0610 120.5487 59.5289 29.8734 178.7515 48 V 3.6827 7.6605 118.2181 65.8649 31.4627 178.1976 49 S 4.0410 7.7326 114.2129 61.4287 62.8089 175.9084 50 Y 3.8735 8.1489 123.2167 60.2321 38.2889 177.4168 51 E 3.9641 8.1846 119.6743 59.0122 30.1494 178.2244 52 L 4.1330 7.9669 120.3432 58.4348 42.1835 178.9901 53 L 4.1592 8.1094 119.0138 57.7985 41.3189 179.5820 54 S 3.9962 7.6983 112.8685 60.6980 63.1227 176.3736 55 R 3.8433 7.5642 120.9993 58.2782 29.7067 176.7370 56 Y 4.8741 7.4360 113.4617 58.0109 40.5818 176.1709 57 L 4.3976 8.1493 120.2925 53.6920 42.4190 175.3100 58 P 4.4684 0.0000 0.0000 62.9445 31.8407 177.2526 59 N 4.5360 8.8792 118.1807 55.6652 38.8137 175.7002 60 D 4.6763 8.3497 116.6529 53.7711 40.2624 175.0328 61 Y 5.0341 8.1435 117.8072 56.9590 40.6807 174.6365 62 T 5.0303 8.9138 115.8908 60.8750 71.7715 171.8703 63 A 5.7930 8.6123 121.9941 51.0102 22.1352 176.3136 64 V 4.5543 8.3759 114.4294 59.1170 36.0654 175.1937 65 V 4.1801 8.4781 124.1653 63.3893 31.4210 175.9094 66 V 4.4606 8.6910 119.9064 61.4596 34.0626 175.5632 67 E 4.8120 8.0039 120.6448 55.1297 33.0973 173.5898 68 T 5.2976 8.3776 119.6195 60.8052 70.8881 172.3805 69 L 4.9486 9.0293 128.8014 53.5020 45.7624 174.7804 70 A 5.1426 8.5915 125.9636 50.6746 22.7150 175.1995 71 R 4.4975 8.9745 120.1801 54.6756 33.0204 174.7168 72 H 4.6897 8.9139 124.4367 55.1645 29.6312 173.8817 73 V 4.1531 8.9814 120.2235 61.8800 32.7898 176.8264 74 K 4.5206 7.8596 118.9513 53.9461 35.2367 175.3611 75 A 4.2162 8.3573 127.6584 52.1000 19.3052 177.3802 76 V 4.6351 7.9508 120.0137 59.5218 34.6912 172.7635 77 P 5.1342 0.0000 0.0000 62.2330 32.9553 175.8000 78 T 4.0316 9.1358 113.0047 63.1441 68.9673 174.6800 79 G 3.9881 9.6912 112.7267 45.4395 0.0000 174.1228 80 T 4.2798 7.3987 115.3066 63.2056 70.1480 173.6714 81 R 4.9927 8.4819 124.7507 54.9878 31.6060 175.5029 82 V 4.5770 8.6976 119.8826 59.3921 34.7213 174.8079 83 A 4.7368 8.4424 125.7518 51.4607 20.1845 176.3427 84 V 4.6197 9.1907 123.1255 61.0232 34.4785 174.4540 85 G 4.5869 9.1249 115.2841 44.5495 0.0000 172.0705 86 V 5.3887 9.1093 116.7131 59.5664 36.4208 174.7972 87 R 5.1479 8.9936 118.6953 54.6036 33.2442 174.2439 88 V 3.5724 8.8223 122.5622 63.0570 31.7791 176.7620 89 V 3.9307 8.4272 122.0886 63.0071 32.9332 175.9664 90 G 3.9075 6.9855 105.3420 45.7417 0.0000 172.4049 91 V 4.7864 8.6983 119.5574 60.8708 34.3310 175.0204 92 V 4.2390 8.5762 127.3417 61.5516 34.1093 174.8702 93 G 3.6998 8.4308 118.8028 47.3262 0.0000 172.7192 94 N 4.7943 8.7715 120.9664 52.7852 37.6506 173.9450 95 R 4.9843 8.1079 118.9433 55.1520 32.5703 175.1278 96 V 4.3800 8.4167 124.6842 60.9471 33.6720 174.2542 97 K 4.7679 8.6547 130.2751 55.4502 33.7288 175.3011 98 F 5.1001 9.2073 125.6349 55.6236 42.6399 174.3525 99 R 5.1795 8.7292 120.0405 54.6617 33.3395 175.3550 100 G 4.6901 9.0563 107.9573 44.9203 0.0000 171.3534 101 I 5.1875 8.9476 122.0474 59.1382 41.9507 174.3230 102 V 4.9808 8.7434 128.1783 60.2338 35.4346 174.4711 *104 S 4.3609 8.4680 115.6421 58.5206 62.9351 174.7435 105 G 3.7250 8.2098 122.3134 47.6111 0.0000 174.1978 106 D 4.5799 8.9215 123.3497 53.4290 40.0118 175.5198 107 E 4.4470 7.9649 118.8295 55.5315 30.3731 175.9118 108 K 4.2508 8.6059 125.7667 56.6043 33.0387 175.8467 109 I 4.2692 8.9543 127.7401 62.9939 38.8923 175.6365 110 L 5.2344 7.6023 122.1540 53.4886 45.7322 174.1046 111 E 5.3259 9.0327 121.8783 54.6827 33.2372 174.3987 112 A 5.2855 9.2771 122.2780 50.5801 23.6681 174.5737 113 E 5.3126 9.4531 120.1731 54.5946 33.1428 174.5023 114 F 5.4552 8.8086 120.5720 55.8855 42.4316 173.1010 115 V 4.9507 9.3259 118.9402 61.3511 34.7837 174.2288 116 R 5.2799 9.0796 126.0138 54.4969 33.2938 174.7973 117 A 4.9882 8.7698 124.8313 50.9148 20.6025 176.2998 118 I 4.5726 8.6382 125.0690 60.6270 38.0729 175.9406 119 V 4.6627 8.9084 126.3361 60.4534 35.5510 172.6404 120 P 4.2021 0.0000 0.0000 62.4493 32.0704 177.6066 121 R 3.9760 8.8857 124.7473 60.0849 29.9322 179.8538 122 E 3.9647 8.1235 117.5449 61.0562 29.6417 180.9264 123 K 4.1063 7.7887 120.0511 59.2995 32.3414 178.5380 124 L 3.9763 7.9023 120.6517 58.0654 41.8821 179.0316 125 R 3.9001 8.3190 118.3916 59.5407 30.0951 179.1571 126 R 3.9135 8.1379 117.6992 59.2109 30.0044 179.2322 127 L 3.9487 8.0438 118.4640 57.7078 41.6993 179.2095 128 A 4.0032 8.1219 120.7764 55.4064 18.3746 179.7704 129 L 4.0427 8.3797 120.0851 58.3135 41.4156 180.1899 130 E 4.0527 8.1534 120.0563 61.8013 29.7770 182.0763 131 K 4.3205 7.9737 123.5136 59.5366 31.8103 180.6189 132 A 4.3922 7.9838 123.1049 55.2649 18.3164 178.4729 133 E 4.2535 7.7565 120.4647 58.5101 30.0023 180.7818 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 H 8.44 4.60 0.00 2.95 3.01 0.00 7.15 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 9.19 4.73 0.00 3.52 3.40 0.00 5.81 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.99 4.65 0.00 3.12 3.28 0.00 5.95 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 3 D 7.58 3.77 0.00 2.63 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 4 F 7.99 4.59 0.00 2.82 2.43 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 5 D 8.73 4.25 0.00 2.79 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 6 F 8.07 4.27 0.00 3.02 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 7 L 7.47 3.93 0.00 1.45 1.46 0.60 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.67 3.87 0.00 1.96 1.78 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 2.19 2.21 0.00 9 G 8.02 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 10 K 7.43 4.36 0.00 1.59 1.77 0.00 1.45 0.00 0.00 1.51 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 0.91 7.81 11 R 8.36 5.21 0.00 1.88 1.87 0.00 3.04 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 12 L 8.97 4.79 0.00 1.83 1.56 0.96 0.79 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 13 T 8.58 5.27 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 1.29 0.00 0.00 14 E 9.30 4.80 0.00 1.85 1.78 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 2.23 2.28 0.00 15 D 8.72 5.17 0.00 2.55 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 16 V 8.95 4.49 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 1.04 0.00 0.00 0.93 0.00 0.00 17 A 8.60 4.59 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 18 L 9.12 4.35 0.00 1.68 1.65 0.92 0.70 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 19 D 8.37 4.73 0.00 2.75 2.70 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 20 E 8.50 4.13 0.00 1.92 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 2.28 2.35 0.00 21 T 7.60 4.17 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 *23 V 7.38 4.01 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 0.77 0.00 0.00 1.04 0.00 0.00 24 W 9.10 4.51 0.00 3.20 3.37 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 25 N 8.49 4.78 0.00 2.69 2.76 0.00 0.00 6.32 7.66 0.00 0.00 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 E 7.72 3.93 0.00 1.99 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 2.39 2.45 0.00 27 D 6.59 4.69 0.00 2.26 1.70 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 28 I 8.29 3.85 1.79 0.00 0.00 0.74 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 0.45 0.85 0.00 0.00 29 E 7.67 4.19 0.00 2.01 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 2.26 2.15 0.00 *31 L 8.02 4.34 0.00 1.65 1.73 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.99 4.57 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.07 3.88 0.00 1.73 1.80 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.78 4.11 0.00 3.45 3.65 0.00 5.45 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.41 4.76 0.00 1.88 1.67 0.98 0.82 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 36 V 8.62 4.36 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 0.72 0.00 0.00 1.01 0.00 0.00 37 A 8.63 4.23 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 38 T 8.74 3.73 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 1.18 0.00 0.00 39 S 8.07 4.09 0.00 4.02 4.12 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 40 A 7.93 3.97 1.37 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 0.00 0.00 41 L 7.82 3.86 0.00 1.78 1.61 0.68 0.72 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 42 I 7.78 3.59 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.70 0.54 0.00 0.00 43 G 8.00 3.43 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 0.00 44 V 7.90 3.53 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 0.95 0.00 0.00 0.98 0.00 0.00 45 V 7.68 3.54 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 0.92 0.00 0.00 0.94 0.00 0.00 46 H 8.08 3.83 0.00 3.16 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.06 3.92 0.00 1.98 2.06 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 48 V 7.66 3.68 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 1.04 0.00 0.00 1.06 0.00 0.00 49 S 7.73 4.04 0.00 2.79 3.93 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 50 Y 8.15 3.87 0.00 3.06 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 51 E 8.18 3.96 0.00 2.06 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 0.00 2.60 2.37 0.00 52 L 7.97 4.13 0.00 1.87 1.97 1.16 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.11 4.16 0.00 1.64 1.59 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.70 4.00 0.00 3.93 3.55 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 55 R 7.56 3.84 0.00 1.11 1.17 0.00 3.20 0.00 0.00 3.05 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 56 Y 7.44 4.87 0.00 3.10 3.24 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 57 L 8.15 4.40 0.00 1.69 1.75 0.90 1.24 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 58 P 0.00 4.47 0.00 2.60 2.02 0.00 3.78 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 59 N 8.88 4.54 0.00 2.80 2.95 0.00 0.00 6.96 8.06 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 60 D 8.35 4.68 0.00 2.74 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 61 Y 8.14 5.03 0.00 3.08 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 62 T 8.91 5.03 4.38 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 1.28 0.00 0.00 63 A 8.61 5.79 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 64 V 8.38 4.55 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 0.75 0.00 0.00 0.96 0.00 0.00 65 V 8.48 4.18 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 0.77 0.00 0.00 0.71 0.00 0.00 66 V 8.69 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 0.73 0.00 0.00 1.03 0.00 0.00 67 E 8.00 4.81 0.00 2.04 1.78 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 2.33 2.35 0.00 68 T 8.38 5.30 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 1.24 0.00 0.00 69 L 9.03 4.95 0.00 1.82 1.72 0.94 1.05 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 70 A 8.59 5.14 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 71 R 8.97 4.50 0.00 1.75 1.83 0.00 3.11 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 72 H 8.91 4.69 0.00 3.06 3.14 0.00 5.73 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.98 4.15 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 0.68 0.00 0.00 0.99 0.00 0.00 74 K 7.86 4.52 0.00 1.64 1.62 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.39 7.81 75 A 8.36 4.22 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 76 V 7.95 4.64 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 0.94 0.00 0.00 0.94 0.00 0.00 77 P 0.00 5.13 0.00 2.24 2.23 0.00 3.72 0.00 0.00 3.84 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 78 T 9.14 4.03 4.30 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 1.34 0.00 0.00 79 G 9.69 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 80 T 7.40 4.28 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 1.22 0.00 0.00 81 R 8.48 4.99 0.00 1.80 1.82 0.00 3.20 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 82 V 8.70 4.58 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 0.62 0.00 0.00 0.95 0.00 0.00 83 A 8.44 4.74 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 84 V 9.19 4.62 2.20 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 1.04 0.00 0.00 0.93 0.00 0.00 85 G 9.12 4.59 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 86 V 9.11 5.39 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 0.92 0.00 0.00 1.10 0.00 0.00 87 R 8.99 5.15 0.00 1.82 1.99 0.00 2.75 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 88 V 8.82 3.57 1.91 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 0.56 0.00 0.00 0.60 0.00 0.00 89 V 8.43 3.93 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 0.64 0.00 0.00 0.81 0.00 0.00 90 G 6.99 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 91 V 8.70 4.79 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 0.75 0.00 0.00 0.78 0.00 0.00 92 V 8.58 4.24 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 0.92 0.00 0.00 0.89 0.00 0.00 93 G 8.43 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 0.00 0.00 0.00 94 N 8.77 4.79 0.00 3.07 3.21 0.00 0.00 5.84 7.66 0.00 0.00 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 R 8.11 4.98 0.00 1.85 1.85 0.00 3.26 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 96 V 8.42 4.38 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 0.27 0.00 0.00 0.74 0.00 0.00 97 K 8.65 4.77 0.00 1.73 1.56 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.34 7.81 98 F 9.21 5.10 0.00 1.51 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 0.00 0.00 0.00 0.00 99 R 8.73 5.18 0.00 1.74 1.82 0.00 3.07 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 100 G 9.06 4.69 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 0.00 0.00 0.00 101 I 8.95 5.19 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.57 0.94 0.00 0.00 102 V 8.74 4.98 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 1.07 0.00 0.00 0.90 0.00 0.00 *104 S 8.47 4.36 0.00 3.92 3.82 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 0.00 105 G 8.21 3.72 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 0.00 0.00 0.00 106 D 8.92 4.58 0.00 2.71 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 0.00 107 E 7.96 4.45 0.00 2.12 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 2.29 2.38 0.00 108 K 8.61 4.25 0.00 1.72 1.73 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 109 I 8.95 4.27 1.85 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 1.11 0.72 0.94 0.00 0.00 110 L 7.60 5.23 0.00 1.56 1.38 0.74 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.03 5.33 0.00 2.09 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 2.18 2.25 0.00 112 A 9.28 5.29 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 0.00 113 E 9.45 5.31 0.00 2.04 1.81 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 2.23 2.37 0.00 114 F 8.81 5.46 0.00 3.27 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 0.00 115 V 9.33 4.95 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 1.04 0.00 0.00 0.95 0.00 0.00 116 R 9.08 5.28 0.00 2.02 1.91 0.00 3.33 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 117 A 8.77 4.99 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 0.00 118 I 8.64 4.57 1.24 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.37 0.48 0.00 0.00 119 V 8.91 4.66 2.13 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 1.06 0.00 0.00 0.98 0.00 0.00 120 P 0.00 4.20 0.00 2.08 1.62 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.82 0.00 121 R 8.89 3.98 0.00 1.83 1.98 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 122 E 8.12 3.96 0.00 1.97 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 2.32 1.95 0.00 123 K 7.79 4.11 0.00 1.84 2.02 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.57 7.81 124 L 7.90 3.98 0.00 1.82 1.80 0.93 1.07 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 0.00 125 R 8.32 3.90 0.00 2.04 1.96 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 126 R 8.14 3.91 0.00 1.98 1.99 0.00 3.13 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 127 L 8.04 3.95 0.00 1.86 1.72 0.93 0.59 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 0.00 128 A 8.12 4.00 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 0.00 129 L 8.38 4.04 0.00 1.69 1.73 0.92 1.27 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 0.00 130 E 8.15 4.05 0.00 2.08 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 0.00 2.26 2.20 0.00 131 K 7.97 4.32 0.00 1.86 1.76 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.33 7.81 132 A 7.98 4.39 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 0.00 133 E 7.76 4.25 0.00 2.10 1.73 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 2.26 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.