NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7553 8.2833 118.3554 52.2332 39.3407 173.0878 2 E 4.4627 8.1012 122.9883 53.9493 30.8756 170.8129 3 V 4.0024 9.2605 127.8379 61.4526 33.4890 174.4847 4 T 4.7073 8.3843 125.3803 63.3151 68.6059 174.6370 5 L 4.5489 9.6161 127.4188 55.8491 43.5560 176.8185 6 L 4.6030 7.6605 118.9492 53.9568 45.9540 174.3772 7 D 4.7041 8.7149 124.2879 52.1328 41.9034 175.3829 8 S 4.1759 9.5353 119.4021 61.1353 63.3140 177.9868 9 R 3.8296 8.2399 119.1300 58.4723 29.7618 177.4769 10 S 4.5611 8.0202 109.2032 57.8006 63.4691 174.5575 11 V 3.7239 7.5790 121.5203 63.6503 31.6318 175.5910 12 Q 4.3212 8.5680 125.0408 57.8067 30.4742 177.2660 13 G 4.1683 7.2031 103.4214 45.1771 0.0000 176.5667 14 E 4.1524 8.8521 124.0029 55.6095 29.8036 176.7246 15 L 3.9226 8.5299 123.5143 56.1267 41.7914 177.9440 16 G 4.0707 8.1694 104.6763 46.3895 0.0000 173.3821 17 W 4.9595 8.4300 118.1042 55.9611 30.7111 175.8067 18 I 4.7339 9.1148 122.8606 59.6207 39.4054 174.4691 19 A 5.2645 8.8533 128.2403 50.0158 21.1251 176.2777 20 S 4.8830 9.4618 116.7352 57.6522 63.2935 171.7835 21 P 5.0701 0.0000 0.0000 59.7632 33.8847 174.7795 22 L 4.2011 9.0853 125.6806 58.1062 41.7154 178.0724 23 E 4.7892 8.2474 111.5533 54.9436 32.9352 177.3365 24 G 4.2781 9.0275 108.9095 44.8683 0.0000 174.6697 25 G 3.8804 7.8261 101.4283 45.8790 0.0000 176.6670 26 W 4.7950 9.5484 122.3755 56.8147 29.8162 175.0802 27 E 4.9615 9.5493 124.2442 54.2323 33.1572 174.8167 28 E 3.6955 8.6811 124.3370 55.8395 30.6254 175.9713 29 V 4.3392 9.2106 127.6599 61.2004 34.7692 173.7727 30 S 5.2805 8.6983 122.3783 56.9807 64.0272 173.6647 31 I 4.4907 8.7726 123.7858 61.6637 39.9071 177.1522 *37 T 4.1662 7.9365 116.4308 62.8234 70.0555 172.2604 38 P 4.7041 0.0000 0.0000 61.6882 32.0690 175.4511 39 I 4.5744 8.3051 124.2698 59.2779 40.5881 174.6912 40 R 4.5623 8.5149 126.9486 55.8531 30.8123 175.3896 41 T 4.9027 9.0030 115.7955 60.2037 73.1206 172.0005 42 Y 5.2608 8.4639 119.5511 56.5030 40.5658 175.0583 43 Q 5.4380 9.6043 122.8802 54.3683 33.5312 174.6912 44 V 4.5466 8.5473 120.8061 59.9913 34.9662 174.7987 45 C 5.0012 7.8332 120.9970 56.3052 41.3774 173.8437 46 N 4.7049 7.5401 116.5447 53.1170 38.4202 177.9950 47 V 3.8913 7.4960 111.1475 63.9378 32.5145 178.4108 48 M 4.7650 7.9084 118.5715 57.4638 32.2214 177.0055 49 E 4.0741 7.5074 117.2149 55.6338 30.0553 175.2676 50 P 4.4361 0.0000 0.0000 62.3852 32.9756 176.9170 51 S 3.6231 8.0966 108.6337 59.4182 61.2212 171.1545 52 Q 4.4199 7.4222 126.4035 55.8803 31.0214 175.8860 53 N 5.4184 8.2531 118.3471 53.0664 39.5979 172.2629 54 N 5.1844 9.2275 119.4068 51.3408 41.2709 174.9281 55 W 5.4040 9.1803 123.0467 54.8963 33.0343 174.3899 56 L 5.2731 8.9707 124.7537 53.3840 45.1843 175.0892 57 R 5.1396 9.3048 122.8632 54.3957 32.6331 175.5014 58 T 3.0323 8.3750 113.8197 61.1318 70.0462 172.7844 59 D 5.0691 8.1192 121.4508 51.9888 41.7923 175.6289 60 W 3.1689 8.8126 128.4396 57.6344 31.1967 176.2934 61 I 3.7894 6.5041 126.7315 58.5325 38.5105 174.4893 62 T 2.9387 6.9332 121.0444 62.0463 67.7928 173.3531 63 R 4.4840 8.4669 120.3732 55.0961 30.7207 176.0395 64 E 3.9506 8.6768 116.9753 57.6393 27.5665 174.5924 65 G 3.8327 8.1807 101.3783 46.4566 0.0000 174.2444 66 A 4.1001 7.6544 123.7145 51.6003 19.9319 179.0147 67 Q 4.3440 8.2335 119.4765 56.5626 30.0722 176.2995 68 R 4.7611 7.5641 116.4933 54.0978 33.0001 174.6771 69 V 4.5524 7.9432 118.3271 59.7205 35.7592 173.9075 70 Y 4.6646 8.9504 121.3996 56.3018 40.7645 175.2286 71 I 4.8622 8.8793 123.8996 59.6529 39.9292 173.8420 72 E 4.9697 9.5090 129.9357 55.1289 31.1039 174.8321 73 I 5.2242 9.6267 128.8616 59.5349 40.7898 174.8740 74 K 5.3350 9.6585 125.7488 54.7677 34.9206 175.1710 75 F 5.5078 8.8189 120.1500 55.4659 41.7823 173.9009 76 T 4.7618 8.6121 110.9613 60.8188 71.4563 174.0524 77 L 4.6943 8.1717 125.1923 53.9963 43.8480 174.5934 78 R 4.0367 8.8742 127.7414 56.4500 30.5352 175.2731 79 D 4.5772 8.6319 125.5434 53.8167 42.1777 178.3123 80 C 4.3926 9.5286 123.1291 59.5566 40.5390 175.6478 81 N 4.2350 7.9304 114.9065 55.1074 38.2783 175.7179 82 S 4.6583 7.4841 111.7921 57.8114 63.2067 173.5533 83 L 4.8533 7.4030 119.2805 52.7446 45.1051 174.0674 84 P 4.6490 0.0000 0.0000 61.6782 34.0215 175.3024 85 G 4.0565 8.3533 105.8779 47.1835 0.0000 174.3592 86 V 4.2186 7.1865 116.5788 62.0621 34.2289 176.6695 87 M 4.2488 7.9346 117.9373 56.4712 31.2924 176.4135 88 G 4.0551 9.1198 111.4123 45.3843 0.0000 173.6539 89 T 4.4135 7.6573 111.4837 61.8187 69.4549 172.9122 90 C 4.8589 8.1929 122.9567 55.6080 43.8597 173.0554 91 K 4.8881 8.6786 126.7249 53.0578 35.1358 174.5493 92 E 4.5850 8.8144 117.1857 56.6226 30.1939 175.4004 93 T 5.0394 7.5892 109.4541 60.3354 72.2383 172.0066 94 F 4.9138 8.0134 114.5165 56.5120 41.8741 172.5184 95 N 5.2241 9.1285 116.2860 51.3162 41.6533 173.5936 96 L 5.0115 8.3296 124.4210 53.7001 44.6036 174.7788 97 Y 5.5073 8.6006 122.4036 56.5635 42.6682 173.7088 98 Y 5.7136 9.3886 119.1523 55.1701 42.8703 174.0209 99 Y 4.6295 8.5373 120.7037 56.6565 40.6807 173.6017 100 E 4.6026 8.4235 126.3999 56.7582 30.7303 176.1494 101 S 4.4928 8.6723 114.9035 58.5318 66.3347 175.9341 102 D 4.9132 8.8985 121.3532 54.0256 42.3218 176.3663 103 N 4.3884 8.0157 119.1530 53.1659 39.3487 174.2484 104 D 3.9332 8.1575 123.3620 53.0595 40.2736 176.3556 105 K 4.7171 8.5818 120.1531 55.5168 33.0611 176.4708 106 E 4.0602 8.1877 118.0664 57.2044 31.4957 175.9364 107 R 4.1645 8.8225 125.5550 56.9737 28.3642 179.3184 108 F 4.4788 9.3784 124.8870 58.6475 40.4212 173.2085 109 I 4.0540 7.1330 127.5677 58.7746 39.7730 175.6452 110 R 3.4460 8.6888 125.2241 55.6700 30.0610 177.4123 111 E 2.9908 8.3848 122.9835 58.9663 29.4480 178.1573 112 N 4.5517 7.6811 113.5386 54.5803 38.9841 175.5874 113 Q 4.0811 7.7132 116.3521 56.3013 29.1569 175.6579 114 F 4.5309 7.4318 117.2441 56.3207 39.9687 175.2444 115 V 4.0977 8.7172 126.9848 61.6460 32.4934 174.9876 116 K 3.7870 8.8514 130.3230 56.7939 32.0183 176.4984 117 I 4.0071 8.8070 129.6587 63.3041 37.7120 175.7029 118 D 4.3124 7.1245 119.2886 53.9676 44.3285 175.1005 119 T 4.4071 8.4186 119.1136 63.2064 69.7177 174.2794 120 I 4.2410 8.5995 126.1881 59.5267 39.8085 174.2191 121 A 5.1203 8.3872 131.7333 51.3805 20.6989 174.4462 122 A 4.4774 8.5022 115.1400 54.8889 19.7755 178.1681 123 D 4.8274 7.7528 114.3844 53.9111 42.2455 176.8462 124 E 4.3046 8.6657 120.1817 58.9106 30.5584 177.6392 125 S 4.2869 7.8288 113.7743 58.6221 64.2010 172.5928 126 F 5.0585 7.5417 114.2113 56.7674 40.3121 172.9690 127 T 4.8191 8.7385 116.9777 61.7125 71.4958 173.7577 128 Q 4.5280 8.9803 125.6170 56.3139 29.8470 176.4281 129 V 4.3794 8.2562 114.7435 60.5360 36.6413 174.1267 130 D 4.8178 8.6207 125.1003 52.4518 43.4190 174.2160 *133 D 4.9379 8.5471 118.6369 54.2939 40.8238 176.1954 134 R 4.4080 8.4876 121.0983 54.2763 30.3600 173.6797 135 I 4.8221 8.2294 117.4552 58.9921 39.0636 174.7548 136 M 4.7509 8.1304 121.4839 53.7587 34.6073 173.5135 137 K 4.4654 8.2386 120.0222 56.5908 33.5469 176.1800 138 L 4.4125 8.6649 125.7852 54.9786 42.1957 175.8086 139 N 5.1802 8.6685 121.0481 52.3087 41.0263 174.3436 140 T 5.1725 8.0467 116.2796 62.1684 71.1008 173.3845 141 E 5.0192 9.4449 125.9076 54.5869 33.4287 175.3974 142 I 5.3088 8.3496 121.4984 59.9960 41.3164 174.8525 143 R 4.9139 8.9282 123.1543 54.6496 34.8946 173.6702 144 D 5.0209 8.5323 119.6776 51.5791 42.3347 175.3534 145 V 4.0635 7.5584 113.2901 59.2742 34.7131 177.2251 146 G 3.6917 8.1241 112.4805 44.4070 0.0000 170.1554 147 P 4.2427 0.0000 0.0000 62.8157 30.8962 176.4091 148 L 4.4586 8.2532 123.9014 54.4677 42.3265 177.5390 149 S 4.4537 8.9739 114.7216 59.3595 65.5047 175.6574 150 K 4.4467 8.1984 123.0806 53.8071 32.9036 180.1976 151 K 4.2222 9.6694 124.6759 58.8832 32.6261 177.3772 152 G 4.0835 8.5915 106.3169 45.7718 0.0000 171.0420 153 F 5.2881 6.5841 111.8049 56.3726 41.6435 172.5285 154 Y 5.0106 8.8482 117.0738 56.3088 40.8306 175.3916 155 L 4.9763 8.7440 123.3837 54.1601 44.0339 175.6058 156 A 4.8800 8.2771 121.9294 50.3504 23.1906 175.1616 157 F 5.0748 9.3998 119.9000 55.6221 42.7157 173.8189 158 Q 4.3965 8.6807 125.5550 54.1622 30.8847 173.5446 159 D 4.9877 9.5260 127.8861 52.9200 42.7216 177.0990 160 V 4.9745 7.6973 118.3498 61.1077 32.3449 175.5240 161 G 3.9849 7.8825 108.8667 45.8563 0.0000 174.7507 162 A 5.2848 9.1041 123.2566 50.0204 20.8648 176.1560 163 C 5.0310 8.4065 119.2672 55.4190 44.9830 172.4361 164 I 5.4461 8.8601 126.8879 59.6206 42.0046 174.2122 165 A 5.2819 8.9024 126.9346 50.2009 22.0657 175.0497 166 L 4.6306 9.7223 124.2023 54.4886 42.7749 176.9724 167 V 4.0661 9.4513 124.0667 64.0578 33.2736 175.7782 168 S 4.7644 7.9920 113.9939 56.3345 66.0412 172.1882 169 V 4.9339 9.6391 127.4166 61.2292 34.0598 174.1355 170 R 5.1646 9.3127 128.0747 54.6742 33.5339 173.6417 171 V 5.2072 9.2592 126.7159 61.1725 34.2256 174.2404 172 F 5.4289 8.8672 121.7307 55.9413 42.0001 172.3320 173 Y 5.4757 8.8370 117.6655 55.2641 41.6352 176.2124 174 K 5.1737 8.9104 117.0006 55.9695 32.6758 176.4734 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 N 8.28 4.76 0.00 2.76 2.95 0.00 0.00 6.12 6.77 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 2 E 8.10 4.46 0.00 1.70 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 2.12 2.17 0.00 3 V 9.26 4.00 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 0.83 0.00 0.00 0.70 0.00 0.00 4 T 8.38 4.71 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 5 L 9.62 4.55 0.00 1.58 1.69 1.14 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.66 4.60 0.00 1.73 1.51 1.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.71 4.70 0.00 2.83 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 9.54 4.18 0.00 3.94 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.24 3.83 0.00 2.10 2.07 0.00 3.31 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 0.00 10 S 8.02 4.56 0.00 3.98 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 V 7.58 3.72 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 1.05 0.00 0.00 12 Q 8.57 4.32 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 13 G 7.20 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 14 E 8.85 4.15 0.00 2.01 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 2.33 2.30 0.00 15 L 8.53 3.92 0.00 1.39 0.85 -0.00 0.42 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 16 G 8.17 4.07 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 0.00 17 W 8.43 4.96 0.00 3.17 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 18 I 9.11 4.73 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.31 1.03 0.00 0.00 19 A 8.85 5.26 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 9.46 4.88 0.00 3.92 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 21 P 0.00 5.07 0.00 2.30 1.96 0.00 3.91 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 2.08 2.14 0.00 22 L 9.09 4.20 0.00 1.68 1.82 1.09 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.25 4.79 0.00 1.94 1.67 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 2.11 1.83 0.00 24 G 9.03 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 0.00 0.00 0.00 0.00 25 G 7.83 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 26 W 9.55 4.80 0.00 3.30 3.28 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 0.00 27 E 9.55 4.96 0.00 1.89 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 2.46 2.39 0.00 28 E 8.68 3.70 0.00 1.46 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 0.00 2.02 1.72 0.00 29 V 9.21 4.34 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 0.86 0.00 0.00 0.91 0.00 0.00 30 S 8.70 5.28 0.00 3.83 3.65 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 31 I 8.77 4.49 1.86 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 1.28 0.51 0.90 0.00 0.00 *37 T 7.94 4.17 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 38 P 0.00 4.70 0.00 2.01 1.97 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 39 I 8.31 4.57 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 1.10 1.14 0.89 0.00 0.00 40 R 8.51 4.56 0.00 1.72 1.69 0.00 2.90 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 41 T 9.00 4.90 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 42 Y 8.46 5.26 0.00 2.78 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 43 Q 9.60 5.44 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 44 V 8.55 4.55 1.17 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 -0.73 0.00 0.00 0.55 0.00 0.00 45 C 7.83 5.00 0.00 2.85 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 46 N 7.54 4.70 0.00 2.83 2.73 0.00 0.00 6.99 7.68 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 47 V 7.50 3.89 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 0.72 0.00 0.00 0.91 0.00 0.00 48 M 7.91 4.76 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 49 E 7.51 4.07 0.00 1.93 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 2.34 2.23 0.00 50 P 0.00 4.44 0.00 2.18 2.06 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 51 S 8.10 3.62 0.00 4.10 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 52 Q 7.42 4.42 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.52 2.26 0.00 53 N 8.25 5.42 0.00 2.79 2.81 0.00 0.00 6.96 7.79 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 54 N 9.23 5.18 0.00 2.45 2.67 0.00 0.00 6.84 8.54 0.00 0.00 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 W 9.18 5.40 0.00 3.23 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 56 L 8.97 5.27 0.00 1.05 0.69 0.53 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 57 R 9.30 5.14 0.00 2.05 1.97 0.00 2.88 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 58 T 8.37 3.03 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 0.43 0.00 0.00 59 D 8.12 5.07 0.00 2.92 3.16 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 60 W 8.81 3.17 0.00 3.02 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 6.50 3.79 0.56 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.51 0.36 0.00 0.00 62 T 6.93 2.94 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 63 R 8.47 4.48 0.00 2.02 2.25 0.00 3.12 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 64 E 8.68 3.95 0.00 2.25 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 0.00 2.33 2.30 0.00 65 G 8.18 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 0.00 0.00 0.00 66 A 7.65 4.10 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.23 4.34 0.00 1.75 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.31 1.91 0.00 68 R 7.56 4.76 0.00 1.56 1.63 0.00 2.83 0.00 0.00 3.62 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.14 0.00 69 V 7.94 4.55 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 0.65 0.00 0.00 0.57 0.00 0.00 70 Y 8.95 4.66 0.00 1.43 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.88 4.86 1.87 0.00 0.00 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 1.15 0.74 1.04 0.00 0.00 72 E 9.51 4.97 0.00 2.32 2.25 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 2.40 2.42 0.00 73 I 9.63 5.22 2.23 0.00 0.00 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 1.51 0.96 1.22 0.00 0.00 74 K 9.66 5.34 0.00 1.81 1.76 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.44 7.81 75 F 8.82 5.51 0.00 3.28 3.20 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 76 T 8.61 4.76 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 1.25 0.00 0.00 77 L 8.17 4.69 0.00 2.11 1.85 1.25 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.87 4.04 0.00 1.89 1.86 0.00 3.34 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 79 D 8.63 4.58 0.00 2.71 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 80 C 9.53 4.39 0.00 3.02 3.12 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 81 N 7.93 4.23 0.00 2.76 2.87 0.00 0.00 6.96 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.48 4.66 0.00 4.10 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 83 L 7.40 4.85 0.00 1.61 1.56 0.92 0.93 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 84 P 0.00 4.65 0.00 2.14 2.03 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.05 0.00 85 G 8.35 4.06 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 0.00 86 V 7.19 4.22 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 0.89 0.00 0.00 0.99 0.00 0.00 87 M 7.93 4.25 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 88 G 9.12 4.06 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 0.00 89 T 7.66 4.41 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 1.45 0.00 0.00 90 C 8.19 4.86 0.00 3.04 3.01 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 91 K 8.68 4.89 0.00 1.68 1.59 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.24 7.81 92 E 8.81 4.58 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 2.24 2.28 0.00 93 T 7.59 5.04 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 1.19 0.00 0.00 94 F 8.01 4.91 0.00 3.31 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 95 N 9.13 5.22 0.00 2.70 2.35 0.00 0.00 6.94 6.89 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 96 L 8.33 5.01 0.00 1.76 1.37 0.72 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.60 5.51 0.00 2.83 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 98 Y 9.39 5.71 0.00 3.06 2.96 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 99 Y 8.54 4.63 0.00 2.32 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 0.00 0.00 0.00 100 E 8.42 4.60 0.00 1.77 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 2.47 2.38 0.00 101 S 8.67 4.49 0.00 3.52 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 0.00 102 D 8.90 4.91 0.00 2.66 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 0.00 103 N 8.02 4.39 0.00 2.71 2.77 0.00 0.00 7.07 8.49 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 0.00 104 D 8.16 3.93 0.00 2.18 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.58 4.72 0.00 1.66 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0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 114 F 7.43 4.53 0.00 3.19 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 0.00 115 V 8.72 4.10 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 0.91 0.00 0.00 0.61 0.00 0.00 116 K 8.85 3.79 0.00 1.37 1.67 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.24 1.02 7.81 117 I 8.81 4.01 1.90 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 1.31 0.83 0.82 0.00 0.00 118 D 7.12 4.31 0.00 2.68 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.42 4.41 4.15 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 1.10 0.00 0.00 120 I 8.60 4.24 0.56 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.91 0.51 0.00 0.00 121 A 8.39 5.12 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 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0.00 130 D 8.62 4.82 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.94 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 0.00 134 R 8.49 4.41 0.00 1.81 1.89 0.00 3.05 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 135 I 8.23 4.82 1.86 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 1.01 1.59 0.90 0.00 0.00 136 M 8.13 4.75 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 137 K 8.24 4.47 0.00 0.99 0.83 0.00 1.02 0.00 0.00 1.43 0.00 0.00 2.59 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.00 0.45 7.81 138 L 8.66 4.41 0.00 1.74 1.80 0.91 0.34 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 0.00 139 N 8.67 5.18 0.00 1.56 2.73 0.00 0.00 6.39 6.92 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 0.00 140 T 8.05 5.17 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 1.29 0.00 0.00 141 E 9.44 5.02 0.00 2.13 1.93 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 2.49 2.82 0.00 142 I 8.35 5.31 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.72 1.14 0.00 0.00 143 R 8.93 4.91 0.00 1.64 1.68 0.00 3.19 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 144 D 8.53 5.02 0.00 1.94 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 0.00 0.00 0.00 145 V 7.56 4.06 1.10 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 0.09 0.00 0.00 0.14 0.00 0.00 146 G 8.12 3.69 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 0.00 147 P 0.00 4.24 0.00 2.01 2.02 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 148 L 8.25 4.46 0.00 1.49 1.53 0.67 0.48 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 0.00 149 S 8.97 4.45 0.00 3.91 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 0.00 150 K 8.20 4.45 0.00 1.80 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.00 7.81 151 K 9.67 4.22 0.00 1.38 1.88 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.30 7.81 152 G 8.59 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 0.00 153 F 6.58 5.29 0.00 3.19 3.07 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 0.00 154 Y 8.85 5.01 0.00 3.17 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 0.00 155 L 8.74 4.98 0.00 1.50 1.20 1.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.28 4.88 0.62 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 0.00 157 F 9.40 5.07 0.00 2.23 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 0.00 158 Q 8.68 4.40 0.00 0.93 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.12 1.85 0.00 159 D 9.53 4.99 0.00 2.46 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 0.00 0.00 0.00 0.00 160 V 7.70 4.97 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 1.09 0.00 0.00 0.96 0.00 0.00 161 G 7.88 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 0.00 162 A 9.10 5.28 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 C 8.41 5.03 0.00 3.00 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 0.00 164 I 8.86 5.45 1.83 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 1.31 0.63 1.06 0.00 0.00 165 A 8.90 5.28 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 0.00 166 L 9.72 4.63 0.00 1.50 1.48 -0.29 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 167 V 9.45 4.07 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 0.75 0.00 0.00 1.02 0.00 0.00 168 S 7.99 4.76 0.00 3.94 3.69 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 0.00 169 V 9.64 4.93 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 1.27 0.00 0.00 1.04 0.00 0.00 170 R 9.31 5.16 0.00 2.13 1.85 0.00 3.10 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 171 V 9.26 5.21 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 1.18 0.00 0.00 1.06 0.00 0.00 172 F 8.87 5.43 0.00 3.11 3.07 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 0.00 173 Y 8.84 5.48 0.00 3.09 3.11 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 0.00 0.00 0.00 0.00 174 K 8.91 5.17 0.00 1.94 1.82 0.00 1.81 0.00 0.00 2.36 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.