NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4662 8.4029 118.6748 56.4180 32.5088 173.6752 4 K 4.9523 8.5589 119.3772 54.5427 34.3494 169.8203 5 Y 4.3405 9.9632 129.6390 55.6745 40.0657 174.0329 6 I 4.1091 7.8477 128.6011 60.7294 38.1679 175.6639 7 V 4.2284 7.9363 127.5187 61.2098 33.2817 175.2900 8 T 4.2199 8.2131 118.1818 60.3109 71.0000 175.9184 9 W 4.3670 8.7968 121.7744 60.1673 29.0966 178.4051 10 D 4.4564 8.2907 118.1717 57.8208 40.3698 178.7349 11 M 4.0037 7.7836 118.6910 58.2506 31.9513 178.5425 12 L 4.0594 8.1996 120.6740 58.2628 42.2545 178.8852 13 Q 4.0682 8.3317 119.5841 59.0474 28.9666 178.2088 14 I 3.7065 7.6074 120.8144 64.7563 37.1774 178.1407 15 H 4.2259 8.0903 116.8018 58.7736 28.4662 177.7542 16 A 4.0092 8.0716 122.6658 55.2463 18.3195 179.9648 17 R 3.9023 8.1526 116.6586 59.1093 29.8868 179.1658 18 K 3.9565 7.8606 118.9028 59.3464 32.5036 178.3884 19 L 4.0348 8.0507 120.5565 57.8920 42.1140 178.7231 20 A 4.0142 8.1072 121.1912 55.1387 18.1103 179.7574 21 S 4.1726 7.8393 111.2721 61.3138 63.0649 176.4339 22 R 4.2209 7.5771 120.2687 57.9532 30.0056 177.0445 23 L 4.6524 7.3764 116.6396 55.0942 41.7217 176.7238 24 M 4.4635 7.6995 118.5213 53.8247 32.9188 174.1686 25 P 4.5627 0.0000 0.0000 62.4951 32.4956 176.7743 26 S 4.7389 8.4229 112.5608 59.8070 63.6206 176.1459 27 E 4.0328 8.0242 120.2983 58.8790 29.2986 177.6014 28 Q 3.8728 7.6266 114.7896 56.5097 29.0958 175.5256 29 W 5.1186 7.4978 121.6116 55.7442 30.8703 176.8341 30 K 4.0021 8.7933 125.1331 55.7817 31.8917 173.7950 31 G 3.7872 6.1718 102.3986 46.5685 0.0000 171.7177 32 I 5.0952 8.1671 119.6933 59.4435 41.1033 175.1779 33 I 4.8760 9.0096 127.7756 59.5871 39.2273 174.4586 34 A 4.8446 9.0179 130.6345 50.8636 20.6363 176.2052 35 V 4.1391 8.6040 123.4013 61.9972 32.5837 175.2852 36 S 4.5299 8.4691 123.9565 58.5441 62.5091 174.1185 37 R 4.4161 8.7198 124.1476 56.0792 31.5653 178.3555 38 G 3.7899 7.6840 106.4181 47.8336 0.0000 174.6591 39 G 3.9137 8.6294 107.4087 45.6967 0.0000 175.5147 40 L 3.8645 7.6402 121.5388 57.7463 41.6101 179.5406 41 V 3.6098 7.3252 117.4624 65.6971 31.6819 176.1820 42 P 4.4663 0.0000 0.0000 65.4808 31.1972 178.8849 43 G 3.5962 8.3918 104.6031 47.5619 0.0000 175.7256 44 A 4.0490 8.0132 123.1291 54.9413 18.3386 179.7806 45 L 3.9941 8.0150 117.6638 57.8724 41.6525 179.6961 46 L 3.9500 8.0722 118.8046 57.7047 41.5335 179.3631 47 A 4.0083 8.0203 120.7993 54.9755 17.8929 179.8019 48 R 3.8079 7.8250 116.9144 59.7662 30.0643 178.6715 49 E 4.0257 8.2085 117.0532 58.6677 29.5318 178.3147 50 L 4.5559 8.2164 116.7179 53.4743 42.0881 176.7777 51 G 3.9426 7.3876 106.3126 46.4070 0.0000 173.5700 52 I 4.2118 7.6649 120.6680 60.0801 37.7516 176.3054 53 R 4.2297 8.5263 123.6969 56.8620 31.1122 175.9293 54 H 4.6150 7.9878 118.5539 54.8815 30.2003 173.2470 55 V 4.8762 8.1954 124.8010 61.0356 33.9274 173.7608 56 D 5.2230 9.4538 127.5556 52.5881 44.8215 174.0997 57 T 5.3208 8.3024 109.3323 59.7664 72.4590 173.7933 58 V 4.5350 8.4876 121.4468 60.4154 34.4878 174.1825 59 C 4.7926 9.3824 124.8380 58.2689 29.5026 172.9985 60 I 4.9223 8.3121 124.6948 59.7823 39.1090 175.1451 61 S 4.8660 9.4107 119.2682 56.7603 66.3466 172.7007 62 S 5.2363 8.3756 120.1283 57.7030 65.6793 173.8650 *63 Y 4.2628 8.2328 118.8503 57.9456 40.1295 175.3871 *69 R 4.2810 8.1800 122.9028 58.4544 30.8557 179.3171 70 E 4.6453 8.7994 125.9340 54.3502 32.7875 173.0701 71 L 4.8108 8.6659 129.9994 54.1503 42.5363 173.8109 72 K 4.6467 9.2259 126.9248 54.1044 36.4703 176.3310 73 V 4.5142 8.3378 124.0082 59.4725 31.7561 173.9778 74 L 4.2134 8.8997 128.2824 56.5203 42.2294 178.1835 75 K 4.7977 7.8101 118.6128 54.9165 35.7592 174.9100 76 R 5.0777 8.4169 121.7548 54.2835 32.7153 174.3021 77 A 4.3285 8.8978 126.4492 52.0245 19.0338 178.3196 78 E 3.9515 8.7332 118.6361 56.7533 30.4793 174.2393 79 G 3.9800 8.7540 106.0211 45.4558 0.0000 173.1704 80 D 4.5751 8.6751 115.8833 53.0354 40.1542 177.8620 81 G 3.9639 8.3851 110.8873 46.4385 0.0000 173.4192 82 E 4.2693 8.3823 116.0521 57.7166 29.4464 181.1575 83 G 4.1577 9.4059 113.6602 44.2604 0.0000 171.9038 84 F 5.1608 8.4541 118.4777 56.0342 42.0550 175.0010 85 I 4.3332 8.1597 121.9869 59.7005 39.1554 174.8989 86 V 4.6413 8.3076 128.0742 61.6824 32.9420 174.5693 87 I 5.7131 8.6511 127.5807 58.2907 41.4946 173.4230 88 D 5.3110 8.4395 126.5599 52.2632 44.8447 175.6677 89 D 4.7384 8.9226 122.0949 56.4308 40.7140 175.4649 90 L 5.3055 7.8737 116.6407 55.5124 43.8875 175.1461 91 V 4.0515 8.0352 117.6250 60.7733 33.4680 174.7736 92 D 4.4746 9.1599 126.1009 54.8764 41.9554 176.8012 93 T 4.2959 7.9145 109.8494 61.1635 70.8977 175.5815 94 G 3.9876 8.3892 110.0262 45.5899 0.0000 175.2699 95 G 3.5865 7.9937 107.1449 48.0119 0.0000 176.6166 96 T 3.7282 7.9135 112.3085 63.9367 69.0293 176.4288 97 A 3.8588 8.1286 125.8155 55.6648 18.3445 180.4435 98 V 3.5863 8.0007 117.8144 66.0489 31.5350 180.5656 99 A 4.1673 7.5470 120.8807 55.0310 18.1934 179.9012 100 I 3.6244 7.4974 118.3727 64.3385 36.8724 178.7166 101 R 3.9150 7.7589 120.4958 59.9823 29.9997 179.2168 102 E 4.0845 7.5853 116.6578 61.3453 29.7421 180.6576 103 M 4.2608 7.4140 118.8076 56.7887 33.0284 176.6517 104 Y 5.0798 7.5423 117.2693 54.4582 38.6898 173.8543 105 P 4.4634 0.0000 0.0000 65.5701 31.9072 178.7716 106 K 4.3399 8.0443 113.2342 57.2067 32.2331 176.9982 107 A 4.6019 7.4618 120.5278 51.9639 19.8619 177.6107 108 H 4.8452 8.9998 121.5263 55.0508 30.5631 173.4547 109 F 5.3259 9.2022 129.3126 57.8481 40.4714 174.6766 110 V 4.8759 8.7403 119.0537 59.9205 36.4347 174.3748 111 T 5.4435 8.0756 111.2252 60.1145 72.5304 174.9217 112 I 3.6600 8.4718 121.7314 63.8648 38.1483 176.2363 113 F 5.3792 8.0267 119.7740 56.1274 42.1533 174.7442 114 A 4.7537 8.5257 121.7356 50.9811 22.6441 176.1827 115 K 5.0084 8.6122 122.2991 53.8687 34.0173 176.2582 116 P 4.1129 0.0000 0.0000 65.9146 31.3974 178.0621 117 A 4.0701 8.8011 120.0821 54.5329 18.5000 178.3914 118 G 3.9030 7.8179 102.4350 45.6092 0.0000 175.1559 119 R 3.5251 7.9417 120.9813 59.3706 29.7324 176.5095 120 P 4.4002 0.0000 0.0000 64.8595 31.4309 177.6753 121 L 4.3459 7.6635 116.0512 54.6613 42.1728 176.8618 122 V 4.6458 6.9143 112.0152 59.3722 34.2686 175.6816 123 D 4.6019 8.6629 122.9760 57.4212 41.5011 176.2999 124 D 4.6917 7.7704 114.6123 53.8356 44.5272 174.0811 125 Y 5.7493 8.1263 121.1083 56.9316 40.9508 173.5824 126 V 3.9492 8.5469 116.2744 64.0479 33.3232 175.3392 127 V 4.4141 7.7751 120.3840 61.1204 33.7589 173.6660 128 D 5.2981 8.7357 127.3672 53.6643 42.2055 175.8344 129 I 4.4754 8.2368 123.5137 58.5073 41.1983 173.8467 130 P 4.5558 0.0000 0.0000 62.2926 31.9673 177.2990 131 Q 3.9354 8.6523 122.1055 58.9801 29.0569 176.8518 132 D 4.7536 7.9941 114.3893 53.4327 39.8815 175.4642 133 T 4.6989 7.5300 117.0730 62.1904 70.1533 173.9918 134 W 4.4793 8.7255 135.0000 56.4924 32.1750 175.0596 135 I 4.2233 7.3489 128.7066 60.3771 37.4777 175.3899 136 E 4.1683 8.9028 130.7373 54.7227 30.2333 175.7383 137 Q 3.6780 7.8762 126.4860 54.3459 29.8825 175.6905 138 P 3.5721 0.0000 0.0000 65.1352 31.1505 178.4745 139 W 4.5805 6.6641 112.6175 58.1517 28.2931 176.1141 140 D 4.7896 7.5401 117.9940 54.4641 40.9097 175.2112 141 M 4.7940 7.0101 118.1673 53.6221 35.1953 174.5452 142 G 3.9885 7.8593 105.4597 45.2480 0.0000 173.7280 143 V 3.9311 8.4445 120.9047 61.9160 31.0243 175.5898 144 V 4.6310 7.8715 119.3581 58.7367 35.5230 175.4265 145 F 4.1527 8.8002 123.3568 58.4874 39.6046 174.5664 146 V 4.0407 7.0732 126.1958 59.9559 33.3511 173.3425 147 P 4.1338 0.0000 0.0000 61.7754 32.2174 174.7010 148 P 4.3316 0.0000 0.0000 62.5600 31.7969 177.8590 149 I 3.8790 8.3599 122.6069 63.4817 37.3035 176.4673 150 S 4.6750 7.5010 112.8121 56.4667 65.4973 173.8292 151 G 3.9574 8.6669 111.3196 45.5831 0.0000 173.6055 152 R 4.0391 8.0081 125.4189 56.5405 29.9606 176.1741 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 E 8.40 4.47 0.00 1.68 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 2.21 1.90 0.00 4 K 8.56 4.95 0.00 1.58 1.59 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.07 7.81 5 Y 9.96 4.34 0.00 2.91 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 I 7.85 4.11 1.65 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.54 0.76 0.00 0.00 7 V 7.94 4.23 1.90 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 0.93 0.00 0.00 0.74 0.00 0.00 8 T 8.21 4.22 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 1.14 0.00 0.00 9 W 8.80 4.37 0.00 3.43 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 10 D 8.29 4.46 0.00 2.73 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 11 M 7.78 4.00 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 12 L 8.20 4.06 0.00 1.87 1.97 1.11 0.86 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 13 Q 8.33 4.07 0.00 2.40 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 14 I 7.61 3.71 1.92 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 1.51 0.58 0.89 0.00 0.00 15 H 8.09 4.23 0.00 3.20 3.15 0.00 5.62 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 16 A 8.07 4.01 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 17 R 8.15 3.90 0.00 2.03 1.99 0.00 3.14 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 1.65 1.88 0.00 18 K 7.86 3.96 0.00 1.76 1.98 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 19 L 8.05 4.03 0.00 1.74 1.77 0.85 1.09 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 20 A 8.11 4.01 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 21 S 7.84 4.17 0.00 4.08 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 22 R 7.58 4.22 0.00 1.97 2.04 0.00 3.23 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 23 L 7.38 4.65 0.00 1.86 1.83 0.72 0.69 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 24 M 7.70 4.46 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.74 0.00 25 P 0.00 4.56 0.00 1.97 2.05 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 26 S 8.42 4.74 0.00 4.17 4.20 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 0.00 0.00 0.00 0.00 27 E 8.02 4.03 0.00 1.88 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 2.28 2.33 0.00 28 Q 7.63 3.87 0.00 1.47 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 1.79 1.16 0.00 29 W 7.50 5.12 0.00 3.35 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 30 K 8.79 4.00 0.00 1.75 1.72 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.25 7.81 31 G 6.17 3.79 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 0.00 0.00 0.00 32 I 8.17 5.10 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.54 0.93 0.00 0.00 33 I 9.01 4.88 1.61 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 0.99 1.08 0.60 0.00 0.00 34 A 9.02 4.84 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 35 V 8.60 4.14 2.36 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 0.85 0.00 0.00 1.07 0.00 0.00 36 S 8.47 4.53 0.00 3.89 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.72 4.42 0.00 1.79 1.74 0.00 3.14 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 38 G 7.68 3.79 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 0.00 0.00 0.00 39 G 8.63 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 40 L 7.64 3.86 0.00 1.50 1.62 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.33 3.61 2.14 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 1.52 0.00 0.00 0.97 0.00 0.00 42 P 0.00 4.47 0.00 2.23 2.13 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 43 G 8.39 3.60 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 0.00 0.00 0.00 44 A 8.01 4.05 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 45 L 8.02 3.99 0.00 1.91 1.76 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.07 3.95 0.00 1.81 1.64 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.02 4.01 1.46 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 0.00 0.00 0.00 48 R 7.83 3.81 0.00 1.94 2.09 0.00 3.26 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 49 E 8.21 4.03 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 2.56 2.50 0.00 50 L 8.22 4.56 0.00 1.67 1.75 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.39 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 52 I 7.66 4.21 1.86 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 1.33 0.80 0.93 0.00 0.00 53 R 8.53 4.23 0.00 1.80 1.98 0.00 3.20 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 54 H 7.99 4.61 0.00 3.25 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.20 4.88 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 0.89 0.00 0.00 0.94 0.00 0.00 56 D 9.45 5.22 0.00 2.78 2.49 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 57 T 8.30 5.32 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 58 V 8.49 4.54 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 0.81 0.00 0.00 1.10 0.00 0.00 59 C 9.38 4.79 0.00 2.85 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 60 I 8.31 4.92 1.88 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 1.22 0.57 0.91 0.00 0.00 61 S 9.41 4.87 0.00 3.79 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.38 5.24 0.00 3.90 3.83 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 *63 Y 8.23 4.26 0.00 2.15 2.21 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 0.00 *69 R 8.18 4.28 0.00 1.62 1.84 0.00 3.17 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.22 0.00 70 E 8.80 4.65 0.00 1.63 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 2.12 2.09 0.00 71 L 8.67 4.81 0.00 1.42 1.47 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 72 K 9.23 4.65 0.00 1.35 1.62 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.25 7.81 73 V 8.34 4.51 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 0.90 0.00 0.00 0.93 0.00 0.00 74 L 8.90 4.21 0.00 1.51 1.76 0.93 0.80 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 75 K 7.81 4.80 0.00 1.75 1.58 0.00 1.68 0.00 0.00 1.97 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.39 7.81 76 R 8.42 5.08 0.00 1.80 1.82 0.00 3.10 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.67 0.00 77 A 8.90 4.33 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.73 3.95 0.00 2.00 1.76 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 2.23 1.88 0.00 79 G 8.75 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 0.00 0.00 0.00 80 D 8.68 4.58 0.00 2.95 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 81 G 8.39 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 0.00 0.00 0.00 82 E 8.38 4.27 0.00 2.02 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 0.00 2.26 2.13 0.00 83 G 9.41 4.16 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 0.00 84 F 8.45 5.16 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 85 I 8.16 4.33 1.53 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.62 0.00 0.00 86 V 8.31 4.64 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 1.02 0.00 0.00 0.76 0.00 0.00 87 I 8.65 5.71 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.51 0.89 0.00 0.00 88 D 8.44 5.31 0.00 3.07 2.55 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 89 D 8.92 4.74 0.00 3.13 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 90 L 7.87 5.31 0.00 1.65 1.82 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.04 4.05 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 0.63 0.00 0.00 1.01 0.00 0.00 92 D 9.16 4.47 0.00 2.62 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 93 T 7.91 4.30 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 1.22 0.00 0.00 94 G 8.39 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 95 G 7.99 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 96 T 7.91 3.73 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 1.24 0.00 0.00 97 A 8.13 3.86 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 98 V 8.00 3.59 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 0.79 0.00 0.00 0.93 0.00 0.00 99 A 7.55 4.17 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 0.00 100 I 7.50 3.62 1.48 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 1.65 0.54 0.66 0.00 0.00 101 R 7.76 3.91 0.00 1.93 1.97 0.00 3.35 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 1.78 1.79 0.00 102 E 7.59 4.08 0.00 2.01 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 2.23 0.00 103 M 7.41 4.26 0.00 0.88 1.63 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.31 0.00 104 Y 7.54 5.08 0.00 2.86 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 0.00 105 P 0.00 4.46 0.00 2.21 2.10 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.33 0.00 106 K 8.04 4.34 0.00 1.85 1.95 0.00 1.99 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.49 7.81 107 A 7.46 4.60 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 0.00 108 H 9.00 4.85 0.00 3.61 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.20 5.33 0.00 3.14 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 0.00 110 V 8.74 4.88 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 0.62 0.00 0.00 0.84 0.00 0.00 111 T 8.08 5.44 4.16 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 0.89 0.00 0.00 112 I 8.47 3.66 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 0.12 0.00 0.00 113 F 8.03 5.38 0.00 2.90 2.80 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 0.00 114 A 8.53 4.75 0.31 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 0.00 115 K 8.61 5.01 0.00 1.82 1.79 0.00 1.92 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.15 7.81 116 P 0.00 4.11 0.00 2.09 2.11 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 117 A 8.80 4.07 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 0.00 118 G 7.82 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 0.00 119 R 7.94 3.53 0.00 1.92 1.87 0.00 3.21 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.13 0.00 120 P 0.00 4.40 0.00 2.07 2.12 0.00 3.77 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 2.02 2.17 0.00 121 L 7.66 4.35 0.00 1.87 1.82 0.98 0.92 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 0.00 122 V 6.91 4.65 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 0.43 0.00 0.00 0.91 0.00 0.00 123 D 8.66 4.60 0.00 2.56 2.65 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 0.00 124 D 7.77 4.69 0.00 2.76 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 0.00 125 Y 8.13 5.75 0.00 2.87 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.55 3.95 1.96 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 0.66 0.00 0.00 0.87 0.00 0.00 127 V 7.78 4.41 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 0.95 0.00 0.00 0.58 0.00 0.00 128 D 8.74 5.30 0.00 2.66 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 0.00 129 I 8.24 4.48 1.70 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.11 0.63 0.00 0.00 130 P 0.00 4.56 0.00 2.14 1.95 0.00 3.48 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 131 Q 8.65 3.94 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.15 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 132 D 7.99 4.75 0.00 2.84 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 0.00 133 T 7.53 4.70 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 1.22 0.00 0.00 134 W 8.73 4.48 0.00 3.48 2.95 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 0.00 0.00 0.00 135 I 7.35 4.22 1.24 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.26 0.09 0.00 0.00 136 E 8.90 4.17 0.00 2.06 1.71 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 2.22 2.24 0.00 137 Q 7.88 3.68 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 6.62 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 138 P 0.00 3.57 0.00 0.49 0.49 0.00 2.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 139 W 6.66 4.58 0.00 3.45 3.49 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 0.00 140 D 7.54 4.79 0.00 2.71 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 0.00 141 M 7.01 4.79 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 142 G 7.86 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 0.00 143 V 8.44 3.93 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 0.87 0.00 0.00 0.99 0.00 0.00 144 V 7.87 4.63 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 0.82 0.00 0.00 0.97 0.00 0.00 145 F 8.80 4.15 0.00 2.97 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 0.00 146 V 7.07 4.04 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 0.77 0.00 0.00 0.86 0.00 0.00 147 P 0.00 4.13 0.00 2.06 2.07 0.00 3.62 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.31 0.00 148 P 0.00 4.33 0.00 2.39 1.96 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 149 I 8.36 3.88 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.42 0.89 0.00 0.00 150 S 7.50 4.67 0.00 3.99 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 0.00 151 G 8.67 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 0.00 0.00 0.00 152 R 8.01 4.04 0.00 1.78 1.85 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 * Residues marked with a * may have inaccurate shift predictions.