NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.5617 8.5245 117.7897 52.4187 39.7975 173.9537 8 P 4.1672 0.0000 0.0000 64.3748 26.7328 172.3285 9 M 4.6808 7.8261 119.9816 56.4597 35.6920 178.4660 10 R 4.6337 7.0361 115.7996 55.2154 33.1549 176.6721 11 D 4.9653 9.4652 120.9327 53.9126 41.6795 173.9930 12 L 3.8586 8.5877 128.3863 55.7358 40.7250 173.8763 13 K 4.2736 7.9915 125.5789 54.4971 35.2568 172.4186 14 I 4.2232 8.1984 119.2260 63.6272 35.5379 179.8400 15 E 3.0402 8.0625 118.6163 55.6662 31.6363 179.2301 16 K 4.6768 8.5698 118.9152 54.9024 36.6008 178.2823 17 L 4.6837 10.0955 122.2187 60.8051 40.8646 179.8729 18 V 3.6710 6.8304 123.3979 60.5283 29.5069 176.7983 19 L 4.7362 8.3695 130.2667 53.6629 42.6800 176.4640 20 N 5.2393 8.6462 124.3007 52.0446 41.4823 171.6681 21 I 4.4652 8.6490 125.8569 58.7116 38.8679 172.2696 22 S 4.9606 8.4371 123.9206 56.1262 62.4438 177.1284 23 V 3.8872 8.2815 122.8366 60.6455 30.8860 176.2881 24 G 3.2734 8.3598 109.4262 46.5157 0.0000 173.1884 25 E 4.5562 7.7135 119.6514 55.7781 33.1963 176.3661 26 S 4.3717 8.7106 112.3795 60.1531 62.4120 170.7762 27 G 4.0832 8.2715 108.4438 45.4622 0.0000 173.4885 28 D 4.6316 8.5111 121.3089 53.1039 37.8756 175.5744 29 R 4.4868 7.1309 123.3039 57.8849 33.0593 180.5927 30 L 4.0324 8.1918 119.5481 58.3855 41.4676 180.8183 31 T 4.4817 7.9930 113.6170 59.3216 65.1808 176.8252 32 R 5.0373 7.4549 132.5994 55.5019 30.8608 177.1017 33 A 4.0724 7.6219 121.3036 54.8345 18.6913 180.8879 34 S 4.2719 9.4861 116.4963 63.7629 61.8997 181.6452 35 K 4.8676 8.5702 127.6589 60.5383 33.3515 179.6147 36 V 3.7429 8.5536 121.9584 67.3415 31.1650 180.8390 37 L 4.0730 8.8580 122.4422 60.5565 40.8711 182.2636 38 E 4.3064 8.6481 120.2691 61.6926 29.7266 182.0429 39 Q 4.2646 8.2203 121.9412 58.6073 28.9515 179.6213 40 L 4.5429 8.1624 122.3909 58.7409 41.0701 182.8427 41 S 4.7049 7.7515 112.2665 60.5264 64.5782 179.7174 42 G 4.3277 9.0934 113.8558 46.0630 0.0000 174.6379 43 Q 4.2175 7.6993 118.4293 55.3117 29.0780 177.8866 44 T 4.4345 8.0622 110.4259 61.2738 70.5522 171.5326 45 P 4.9131 0.0000 0.0000 63.2465 33.6603 171.9630 46 V 3.8406 8.4914 128.7157 60.8322 32.2878 174.0881 47 Q 4.6714 8.4973 130.9622 54.9717 28.4970 173.4935 48 S 4.8044 8.5382 111.8094 58.6476 67.3820 171.8828 49 K 4.8317 8.3128 127.3256 53.1504 31.2072 179.6079 50 A 5.4095 8.2168 128.7708 55.3652 20.9145 178.7498 51 R 4.2797 7.7895 121.3660 55.7553 28.1706 177.8741 *52 Y 4.9210 7.1642 129.1986 56.5803 37.5185 174.9169 53 T 4.9878 6.3982 113.3502 61.4042 73.5743 178.1134 54 V 4.5636 7.8487 119.0788 63.2784 36.1547 172.2749 55 R 4.5115 8.2589 121.6833 58.8596 28.9577 178.2196 56 T 3.9871 8.3410 109.5267 64.3782 67.0151 174.9188 *57 F 3.3128 8.9825 128.6701 56.0650 37.7346 178.0574 58 G 4.0335 8.5777 101.1455 49.1789 0.0000 174.0052 59 I 4.5847 7.7094 116.0860 59.3859 34.9117 177.8984 60 R 4.9302 7.5451 123.5514 55.5010 33.8959 179.4109 61 R 4.1104 8.7609 122.2551 57.4847 30.5647 176.2835 62 N 4.5154 8.6247 122.5783 53.5368 37.3776 174.7630 63 E 4.7358 8.7718 120.7890 57.1933 33.5399 174.6264 64 K 3.7238 8.6014 131.1402 54.6903 28.8703 174.2448 65 I 4.6835 7.5527 130.5835 57.4929 38.1253 172.1013 66 A 5.1042 6.6159 126.4788 52.0225 20.0032 177.4325 67 V 4.6306 7.8476 121.4376 60.9529 35.4417 177.3790 *68 H 4.4949 10.8229 124.3288 57.6847 29.9139 176.3102 69 V 3.4030 6.8281 119.0337 58.5229 30.4003 178.4575 70 T 4.6431 8.4592 122.0222 59.7117 72.0552 171.2404 71 V 4.4746 8.1696 128.2956 60.5808 35.5325 171.0717 72 R 4.4357 8.4990 115.9207 59.6552 33.1804 172.9318 73 G 3.8283 9.4189 112.6414 48.5972 0.0000 173.9791 74 P 4.3830 0.0000 0.0000 65.6551 30.9475 181.9833 75 K 4.5203 7.8846 121.0514 53.4559 31.2471 180.6100 76 A 4.0339 8.4443 125.3303 55.9232 18.0206 181.0141 77 E 3.5409 8.7343 121.2739 60.5418 30.4059 181.5525 78 E 4.1477 7.7194 117.5851 61.0886 29.9200 183.7177 79 I 4.4290 8.5344 122.2529 65.9174 36.1290 184.0371 80 L 4.5398 7.3336 122.6169 57.5726 40.0712 180.3985 81 E 4.5473 7.9080 119.1664 59.6553 29.5940 181.5952 82 R 4.7748 7.4144 115.7661 56.9891 33.9680 179.9702 83 G 3.8247 8.4874 110.6808 48.9810 0.0000 176.7074 84 L 3.8161 8.6663 122.2603 57.5274 44.4203 183.3333 85 K 3.7854 9.1607 113.8546 58.5487 30.7681 183.5561 86 V 3.2149 5.4500 114.9919 64.1197 33.4627 179.6946 87 K 4.4509 7.8670 123.5132 57.7886 31.2447 179.5898 88 E 3.8908 9.9030 112.5892 58.2252 28.2782 177.6301 *89 Y 3.5967 9.7122 119.2942 58.6824 34.7982 174.3009 90 Q 4.9560 9.1432 121.8005 54.5821 32.7131 177.1041 91 L 4.6519 9.9036 126.0299 53.0052 44.9800 175.1291 92 R 3.4855 7.3187 118.2666 57.8522 25.4860 176.1009 93 D 5.5638 8.0878 124.1473 51.3207 42.4701 172.1612 94 R 3.9959 8.1841 126.7287 57.5449 29.9401 177.4762 95 N 4.9677 8.6398 116.8488 52.4059 43.3429 172.7847 *96 F 4.5449 8.1762 118.4944 58.0381 39.6350 182.0691 97 S 3.7267 9.3672 118.7466 57.4691 59.6133 170.8741 98 A 3.7091 7.6402 120.3544 54.8815 16.8809 179.9754 99 T 4.3551 7.6029 109.4225 59.7086 67.2873 179.7337 100 G 3.8243 8.1677 121.5292 45.2894 0.0000 170.9043 101 N 4.0911 7.9389 120.9754 53.3524 34.5276 176.7766 *102 F 3.8156 7.7232 121.4869 58.3244 38.8995 175.7786 103 G 4.2682 8.0683 110.0330 44.3339 0.0000 172.5391 *104 F 4.6841 8.2767 116.4181 54.1028 41.0071 171.5517 105 G 3.9941 8.6905 117.0914 46.3823 0.0000 172.1895 106 I 4.4416 7.4259 118.6061 62.2558 38.9750 172.4164 107 D 4.4858 8.1251 119.5665 55.4508 44.6737 171.7172 108 E 4.1494 8.5958 117.3973 59.4963 30.5772 174.2562 *109 H 5.6918 8.4091 113.0076 54.9751 31.7883 169.0150 110 I 3.3373 8.8567 112.6575 62.1481 34.3024 167.3433 111 D 4.5528 9.0083 130.8327 56.0016 37.1149 172.3698 112 L 5.2209 7.4663 128.2892 53.5439 43.1516 170.1376 113 G 3.9873 8.8520 115.8847 46.2012 0.0000 172.6150 114 I 3.7542 7.7878 118.4320 57.3913 35.8298 179.4892 115 K 3.5969 8.5622 121.6716 56.3963 31.3027 176.5364 *116 Y 4.7189 7.9581 115.6288 56.1987 40.3788 175.5341 117 D 4.5733 8.6211 123.4640 53.9329 40.1943 174.0957 118 P 4.8028 0.0000 0.0000 64.9355 34.4332 172.7271 119 S 4.2707 8.7492 113.7164 59.3660 61.3237 169.6026 120 I 4.1729 8.4143 119.4448 60.9917 34.6405 176.7359 121 G 3.5057 10.0489 111.7477 49.4203 0.0000 174.2220 122 I 3.3417 9.3419 115.7011 60.1376 34.7755 168.3129 *123 F 3.8623 7.5900 115.8711 57.8164 33.4995 178.9508 124 G 3.8463 7.8136 118.9367 42.2916 0.0000 175.4432 125 M 3.1644 8.2181 118.7496 53.2924 31.6564 179.4855 126 D 4.9799 8.2345 115.0492 54.7435 37.8845 175.5521 *127 F 4.5358 7.7908 124.8591 56.0432 37.5733 176.3209 *128 Y 4.6150 8.4484 122.3953 57.2598 41.5183 176.3596 129 V 4.0638 7.4231 121.8389 62.8867 32.5489 169.8848 130 V 4.5106 6.8938 129.6776 62.1243 33.1617 177.9960 131 M 4.8104 10.0258 121.5511 56.2324 33.5013 172.3490 132 N 3.8165 10.0509 114.8326 54.6840 39.4914 172.4671 133 R 4.1470 8.2274 124.0459 56.7106 28.4256 174.7357 134 P 4.9118 0.0000 0.0000 64.6159 34.1519 168.2926 135 G 4.5413 7.8906 109.2007 47.1819 0.0000 174.4166 136 A 4.7674 7.8218 126.8278 52.1858 19.8635 178.1260 137 R 4.7404 8.9142 114.6177 60.4775 35.4005 176.0858 138 V 4.5168 7.5504 117.7329 59.6087 32.4491 176.5830 139 T 4.5147 8.0473 118.0022 61.3710 70.5096 176.6655 140 R 4.4394 8.0078 118.9473 57.8590 29.5855 185.0000 141 R 4.3433 7.7970 120.5264 57.3538 29.4750 178.7651 142 K 4.6483 8.2467 118.4142 55.2063 36.1080 172.8287 143 R 3.1659 9.2738 114.2776 60.8398 28.0130 176.2458 144 C 4.1168 8.1851 113.9121 60.0072 24.1845 173.8815 145 K 4.4066 7.6305 130.0753 53.7917 33.0918 177.2654 146 G 3.9775 7.7894 106.3593 47.7068 0.0000 173.7177 147 T 4.0775 8.6257 115.1428 60.2884 68.8695 176.3902 148 V 3.7674 8.4779 124.2964 59.4513 32.2684 172.8104 149 G 3.9104 8.3700 107.7067 47.6455 0.0000 173.6228 150 N 4.9963 8.6757 114.2809 52.3174 37.8865 171.3708 151 S 4.6779 7.8188 118.3954 58.4014 65.6337 177.2033 *152 H 4.3273 9.0166 121.4806 53.9646 26.7135 172.4835 153 K 4.6483 8.1282 119.1171 54.9196 33.8225 171.9307 154 T 4.4163 8.6309 120.3826 62.2595 70.1905 174.8392 155 T 3.3113 9.6763 125.8813 61.9349 70.6291 179.6753 156 K 3.8119 9.4958 123.9900 56.6354 32.1513 178.1967 157 E 4.1620 9.5685 117.1609 58.9106 29.5895 178.5315 158 D 4.7284 8.8123 119.3647 56.8535 42.5396 182.9361 159 T 4.3559 7.8988 110.7459 62.1465 68.7146 178.1035 160 V 4.1655 8.0114 123.3132 64.4038 32.6820 183.3757 161 S 4.6704 7.8137 117.1996 58.5054 61.4829 177.6568 *162 W 5.0487 7.9580 119.8398 58.2669 30.4074 178.4983 *163 F 4.8408 8.4576 117.0372 57.7209 38.8282 180.2526 164 K 4.5912 8.2987 123.2795 56.0660 33.4129 181.1515 165 Q 4.6956 8.1668 117.1658 56.2676 29.0644 182.1784 166 K 4.3002 8.3476 120.3340 54.9724 32.1803 178.9436 *167 Y 3.3358 7.7387 119.0895 59.0194 33.1277 174.3651 168 D 4.4082 7.6911 122.0357 52.2124 43.4482 173.8526 169 A 4.4851 9.6212 122.6434 53.5751 19.7977 177.4505 170 D 4.8177 8.7519 129.2870 54.7700 44.0224 174.9518 171 V 3.8916 7.5293 121.4711 61.1970 31.4767 177.7430 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 7 N 8.52 4.56 0.00 2.76 2.69 0.00 0.00 6.82 6.86 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 8 P 0.00 4.17 0.00 2.28 2.25 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 9 M 7.83 4.68 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.05 0.00 10 R 7.04 4.63 0.00 1.78 1.66 0.00 3.35 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.00 11 D 9.47 4.97 0.00 2.80 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 12 L 8.59 3.86 0.00 1.84 1.64 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.99 4.27 0.00 1.72 1.55 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.10 0.82 7.81 14 I 8.20 4.22 1.87 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 1.27 1.20 0.91 0.00 0.00 15 E 8.06 3.04 0.00 2.05 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 2.19 1.89 0.00 16 K 8.57 4.68 0.00 1.72 1.54 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.27 0.99 7.81 17 L 10.10 4.68 0.00 1.33 1.64 0.92 1.06 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 18 V 6.83 3.67 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 0.83 0.00 0.00 0.93 0.00 0.00 19 L 8.37 4.74 0.00 1.37 1.48 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.65 5.24 0.00 2.45 2.56 0.00 0.00 6.80 7.72 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 21 I 8.65 4.47 1.87 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 1.20 0.63 0.91 0.00 0.00 22 S 8.44 4.96 0.00 3.34 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 23 V 8.28 3.89 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 0.88 0.00 0.00 0.93 0.00 0.00 24 G 8.36 3.27 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 0.00 25 E 7.71 4.56 0.00 1.95 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 2.13 1.87 0.00 26 S 8.71 4.37 0.00 3.64 3.64 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 27 G 8.27 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 28 D 8.51 4.63 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.13 4.49 0.00 1.70 1.83 0.00 3.25 0.00 0.00 3.37 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.15 0.00 30 L 8.19 4.03 0.00 1.57 1.74 0.92 0.77 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 31 T 7.99 4.48 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 32 R 7.45 5.04 0.00 1.80 1.85 0.00 3.26 0.00 0.00 3.34 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.93 0.00 33 A 7.62 4.07 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 34 S 9.49 4.27 0.00 3.74 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 35 K 8.57 4.87 0.00 1.78 1.77 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.13 7.81 36 V 8.55 3.74 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 0.71 0.00 0.00 0.93 0.00 0.00 37 L 8.86 4.07 0.00 1.64 1.68 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.65 4.31 0.00 1.95 2.01 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 2.26 2.25 0.00 39 Q 8.22 4.26 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 40 L 8.16 4.54 0.00 1.74 1.60 0.92 0.73 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 41 S 7.75 4.70 0.00 3.58 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 42 G 9.09 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 0.00 0.00 0.00 0.00 43 Q 7.70 4.22 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.80 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 44 T 8.06 4.43 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 45 P 0.00 4.91 0.00 1.79 1.84 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 46 V 8.49 3.84 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 0.65 0.00 0.00 0.93 0.00 0.00 47 Q 8.50 4.67 0.00 1.83 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.74 0.00 0.00 0.00 0.00 0.00 2.28 1.79 0.00 48 S 8.54 4.80 0.00 3.58 3.67 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 49 K 8.31 4.83 0.00 1.77 1.07 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 1.01 7.81 50 A 8.22 5.41 1.39 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 0.00 0.00 0.00 51 R 7.79 4.28 0.00 1.84 1.79 0.00 3.36 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 *52 Y 7.16 4.92 0.00 2.28 2.26 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 53 T 6.40 4.99 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 54 V 7.85 4.56 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 55 R 8.26 4.51 0.00 1.73 0.91 0.00 3.24 0.00 0.00 3.37 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 56 T 8.34 3.99 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 *57 F 8.98 3.31 0.00 2.41 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 0.00 0.00 0.00 58 G 8.58 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 59 I 7.71 4.58 1.87 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 1.27 0.79 0.91 0.00 0.00 60 R 7.55 4.93 0.00 1.64 1.66 0.00 3.24 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 61 R 8.76 4.11 0.00 1.59 1.75 0.00 3.28 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 62 N 8.62 4.52 0.00 2.49 2.73 0.00 0.00 6.45 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 63 E 8.77 4.74 0.00 1.70 1.69 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 1.97 1.70 0.00 64 K 8.60 3.72 0.00 2.02 1.75 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.29 1.24 7.81 65 I 7.55 4.68 1.87 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 1.35 0.87 0.91 0.00 0.00 66 A 6.62 5.10 1.41 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 0.00 0.00 67 V 7.85 4.63 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 0.71 0.00 0.00 0.93 0.00 0.00 *68 H 10.82 4.49 0.00 2.68 2.98 0.00 7.19 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 6.83 3.40 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 0.83 0.00 0.00 0.93 0.00 0.00 70 T 8.46 4.64 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 71 V 8.17 4.47 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 0.93 0.00 0.00 72 R 8.50 4.44 0.00 1.53 1.70 0.00 3.35 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.16 0.00 73 G 9.42 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 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0.00 82 R 7.41 4.77 0.00 1.66 1.84 0.00 3.23 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.07 0.00 83 G 8.49 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 0.00 0.00 0.00 84 L 8.67 3.82 0.00 1.59 1.62 0.92 0.76 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 85 K 9.16 3.79 0.00 1.67 1.35 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.06 7.81 86 V 5.45 3.21 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 0.81 0.00 0.00 0.93 0.00 0.00 87 K 7.87 4.45 0.00 1.62 1.73 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.22 7.81 88 E 9.90 3.89 0.00 2.01 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 2.20 2.12 0.00 *89 Y 9.71 3.60 0.00 2.35 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 90 Q 9.14 4.96 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 91 L 9.90 4.65 0.00 1.34 1.47 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.32 3.49 0.00 1.88 2.00 0.00 3.21 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.23 0.00 93 D 8.09 5.56 0.00 2.67 2.46 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 94 R 8.18 4.00 0.00 2.01 1.83 0.00 3.26 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 95 N 8.64 4.97 0.00 2.69 2.67 0.00 0.00 6.62 7.43 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 *96 F 8.18 4.54 0.00 2.19 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 97 S 9.37 3.73 0.00 3.78 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.64 3.71 1.35 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 0.00 0.00 0.00 0.00 0.00 2.43 2.07 0.00 132 N 10.05 3.82 0.00 2.83 2.90 0.00 0.00 6.44 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 0.00 133 R 8.23 4.15 0.00 2.00 1.91 0.00 3.22 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 134 P 0.00 4.91 0.00 2.02 1.81 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.58 0.00 135 G 7.89 4.54 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 0.00 0.00 0.00 136 A 7.82 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.91 4.74 0.00 1.78 1.76 0.00 3.23 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 138 V 7.55 4.52 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 0.93 0.00 0.00 139 T 8.05 4.51 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 0.00 140 R 8.01 4.44 0.00 1.83 1.83 0.00 3.24 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 141 R 7.80 4.34 0.00 1.82 1.75 0.00 3.18 0.00 0.00 3.26 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 142 K 8.25 4.65 0.00 1.70 1.55 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.98 7.81 143 R 9.27 3.17 0.00 1.90 1.74 0.00 3.24 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 144 C 8.19 4.12 0.00 2.81 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.63 4.41 0.00 1.77 1.66 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.00 7.81 146 G 7.79 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 0.00 147 T 8.63 4.08 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 0.00 148 V 8.48 3.77 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 0.88 0.00 0.00 0.93 0.00 0.00 149 G 8.37 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 0.00 150 N 8.68 5.00 0.00 2.72 2.63 0.00 0.00 6.20 7.64 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 0.00 151 S 7.82 4.68 0.00 3.58 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 *152 H 9.02 4.33 0.00 3.09 3.14 0.00 7.14 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.13 4.65 0.00 1.65 1.68 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 0.97 7.81 154 T 8.63 4.42 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 0.00 155 T 9.68 3.31 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 0.00 156 K 9.50 3.81 0.00 1.75 1.44 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 0.99 7.81 157 E 9.57 4.16 0.00 1.98 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 1.88 0.00 158 D 8.81 4.73 0.00 2.48 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 T 7.90 4.36 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 0.00 160 V 8.01 4.17 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 0.66 0.00 0.00 0.93 0.00 0.00 161 S 7.81 4.67 0.00 3.57 3.76 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 *162 W 7.96 5.05 0.00 2.45 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 0.00 0.00 0.00 *163 F 8.46 4.84 0.00 2.25 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 0.00 0.00 0.00 164 K 8.30 4.59 0.00 1.73 1.70 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 0.96 7.81 165 Q 8.17 4.70 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.97 0.00 0.00 0.00 0.00 0.00 2.16 1.87 0.00 166 K 8.35 4.30 0.00 1.76 1.71 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 0.98 7.81 *167 Y 7.74 3.34 0.00 2.45 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 0.00 0.00 0.00 0.00 168 D 7.69 4.41 0.00 2.63 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 0.00 169 A 9.62 4.49 1.30 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 0.00 0.00 170 D 8.75 4.82 0.00 2.56 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 0.00 171 V 7.53 3.89 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 0.67 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.