NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5333 8.3649 120.1923 53.7837 42.6256 175.4049 3 T 3.9066 8.0508 113.6383 62.8733 69.5120 172.3017 4 R 3.8553 9.2014 124.5789 56.9996 30.2566 175.8915 5 P 3.9972 0.0000 0.0000 63.7521 32.6272 175.9970 6 R 4.5291 7.8594 120.8049 54.2272 32.6839 175.3361 7 F 4.9267 8.3815 117.9103 55.5568 42.6380 174.3515 8 L 4.8416 8.3473 124.2192 53.3624 45.4430 174.7006 9 Q 5.0149 8.9049 126.6360 54.4765 31.4092 174.3771 10 Q 4.7498 9.0644 124.6082 54.2595 33.2469 173.8996 11 D 5.2875 8.8403 121.9801 52.5003 44.2704 175.1094 12 K 4.6737 8.9717 122.8277 54.6661 35.7430 174.9015 13 Y 4.9015 8.9810 124.1415 57.1132 39.8836 175.3027 14 E 4.7151 9.4073 124.0106 55.1622 32.3355 171.6243 15 C 5.0046 8.8239 120.3110 55.0512 38.3370 173.0716 16 H 4.9528 8.4921 122.0070 54.1943 30.1291 174.1013 17 F 5.3245 9.0738 125.0510 56.5397 40.8320 176.0198 *18 F 4.6638 9.1126 125.9208 56.8930 41.4112 172.7762 19 N 4.4099 9.7855 119.6204 52.4535 35.6315 172.6878 20 G 4.0489 8.1408 117.2139 46.9264 0.0000 172.5315 21 T 4.4241 8.6359 111.0426 60.5654 68.7740 174.3875 22 E 3.6734 7.2604 121.4629 59.1706 30.2347 175.9424 23 R 4.5169 8.2015 116.3842 55.2408 32.2495 175.3451 24 V 4.6931 8.4489 127.4612 61.7962 34.9644 175.2145 25 R 4.5756 8.5225 127.4319 54.9317 32.5525 171.5839 26 F 5.0348 8.7839 127.9070 57.0675 41.1925 174.3262 27 L 4.7548 8.1567 126.5212 53.7958 45.8101 173.7936 28 H 4.8319 9.0901 126.9474 54.5404 31.8740 173.0076 29 R 4.8798 8.8418 125.9197 54.3559 32.8481 174.3844 30 D 5.2293 9.2004 124.6540 52.5666 43.5411 174.7904 31 I 4.9333 8.8450 126.9757 59.6613 40.7740 173.8677 32 Y 4.2983 9.1073 128.9513 57.6800 39.5114 173.7050 33 N 4.2582 9.4731 127.4437 53.5190 37.8120 174.6813 34 Q 4.4378 7.9152 118.9630 55.7935 32.0055 173.9620 35 E 4.5761 8.3602 116.0147 54.3037 31.1644 174.8768 36 E 4.3996 8.9083 125.4758 56.3271 29.5877 175.3595 37 D 4.8642 9.1049 126.4180 53.3073 42.1036 176.2447 38 L 5.2361 7.7345 120.7948 53.4148 45.6542 174.9448 39 R 5.1725 9.0130 125.0913 54.5579 34.3854 173.4084 40 F 4.3900 9.0089 127.4528 56.3059 42.0932 173.0856 41 D 4.8929 7.7154 126.9703 52.2686 42.2386 176.7141 42 S 4.1893 8.8453 122.0652 61.8555 62.8754 176.1417 43 D 4.5774 8.2427 117.3659 55.2626 40.3411 176.7546 44 V 4.0652 7.6752 118.3871 61.1612 33.7192 175.2247 45 G 3.8953 7.2298 107.4283 45.0983 0.0000 173.1147 46 E 5.4795 6.4558 117.4890 56.0307 31.2019 176.2561 47 Y 4.6483 9.2315 120.9021 58.7003 39.2622 175.9735 48 R 4.7462 9.1321 121.5417 55.0608 33.9974 175.6730 49 A 4.2757 8.5850 124.8787 49.8820 16.6161 177.6071 50 V 3.6977 8.0678 121.5242 65.8017 31.9750 175.9630 51 T 4.6468 8.0662 110.7120 60.6044 71.7844 175.0085 52 E 4.0972 8.8854 118.8776 57.9682 30.0298 177.7128 53 L 4.5308 7.4233 119.7987 55.2667 42.2646 176.6693 54 G 4.1929 7.4587 104.0669 45.3343 0.0000 175.6164 55 R 3.9508 7.6140 119.6720 58.7697 29.9110 176.6545 56 P 4.4053 0.0000 0.0000 65.5455 31.5740 178.2347 57 D 4.3016 8.0452 117.1239 57.6274 40.7896 177.4805 58 A 4.2505 8.6499 121.9881 53.9028 17.9955 179.5621 59 E 3.8329 8.1565 117.4929 59.2540 30.2458 178.9246 60 Y 4.2445 7.8229 118.8755 61.1340 38.4490 178.7467 61 W 4.4070 8.0057 118.7754 59.1527 28.8866 177.3299 62 N 5.0874 8.3008 114.9789 53.3892 38.2131 176.0539 63 S 4.7202 7.5835 114.2379 58.8414 63.8835 175.7646 64 Q 4.1000 8.0184 122.7424 56.8238 28.3643 176.8073 65 K 4.0122 8.0975 117.8040 57.2424 31.2713 175.1560 66 D 4.6446 8.0101 114.1245 54.6317 43.9634 177.3307 67 F 4.2179 8.2822 119.9582 60.3863 39.2249 177.0059 68 L 3.7499 8.1644 121.5198 59.5132 42.2388 178.4478 69 E 3.7639 8.5680 116.5865 61.2250 29.0486 180.1602 70 D 4.1684 8.1084 117.2861 57.6531 41.7126 179.9480 71 R 3.5086 7.5660 120.7943 59.3686 30.0023 179.7287 72 R 4.2074 8.6912 121.3549 61.2790 29.4689 180.9564 73 A 4.5041 7.5299 118.6506 52.9323 18.2927 179.0679 74 A 4.1092 7.6630 121.8752 54.2118 18.2247 180.0723 75 V 3.5771 7.2755 109.9704 64.8169 31.3804 177.8784 76 D 4.4799 8.0074 118.2756 56.9383 41.3287 178.9722 77 T 3.9071 7.8329 109.7036 64.5234 68.4702 173.3270 78 Y 4.5174 8.1001 119.7033 59.3188 40.5883 176.3882 79 C 4.0988 8.0679 116.3212 60.3768 37.3255 176.2839 80 R 4.0336 8.3806 118.9090 59.8421 29.8309 178.2282 81 H 4.0221 7.9221 117.6359 59.7803 29.7319 176.5891 82 N 4.2544 8.3906 117.7726 56.5570 38.4700 176.4734 83 Y 3.8985 8.3602 121.1960 61.3887 38.4743 177.9081 84 G 3.7536 8.5863 104.8309 47.9814 0.0000 174.9289 85 V 3.8106 7.8917 122.5200 64.6291 32.0727 177.8092 86 G 3.6143 7.9371 102.8558 43.8867 0.0000 174.6689 87 E 3.5903 8.0616 120.5047 59.6338 29.0702 179.4114 88 S 4.0607 7.5005 114.8234 60.9441 62.9007 175.3478 89 F 4.8128 7.3970 110.5816 56.6058 38.3948 175.7022 90 T 4.4166 6.4422 111.9580 63.5917 69.8563 177.1192 91 V 3.6227 7.2895 124.7177 64.9751 32.0695 177.5123 92 Q 4.2172 7.7278 116.0659 56.7081 28.8199 176.4408 93 R 3.9607 7.5925 121.1634 57.4289 30.5182 177.4837 94 R 4.6544 8.3934 123.8243 56.5855 31.2860 174.8005 95 V 4.6284 8.7170 126.7231 59.6286 34.1798 173.1154 96 E 4.9740 8.6254 122.5089 53.7022 30.8602 173.0988 97 P 4.5221 0.0000 0.0000 61.9853 32.1329 177.7475 98 K 4.6976 7.9052 129.0189 56.7137 31.5767 174.0185 99 V 3.6353 7.3658 119.9741 61.6809 33.0169 175.4701 100 T 4.7844 8.8566 122.8650 61.8969 72.9917 172.8612 101 V 5.4252 8.2334 125.0719 61.5359 34.2804 173.9306 102 Y 4.5619 9.3539 124.0043 56.9423 41.2145 172.9721 103 P 3.9729 0.0000 0.0000 65.6719 30.6943 177.5790 *105 R 4.2596 8.4416 112.3858 55.6328 32.1203 178.7641 106 T 4.2205 8.1366 118.8818 66.9931 69.5942 176.7363 *113 N 4.5579 8.0038 119.8322 53.0378 39.7699 176.7264 114 L 5.0315 7.9283 125.1140 54.6248 41.0497 179.8645 115 L 4.0710 7.8525 126.9903 53.0338 43.0206 172.3806 116 V 4.6486 8.4635 120.3174 61.3562 34.6217 173.3503 117 C 5.3876 9.1592 127.5366 55.0937 40.3677 172.2787 118 S 4.9115 9.8376 123.2872 56.5044 63.8052 172.5525 119 V 4.1692 8.8374 130.6273 62.8311 31.9568 174.8729 120 N 5.1696 8.7995 127.1555 51.5351 41.2544 170.4556 121 G 4.1906 8.6207 110.2043 46.6986 0.0000 172.5181 122 F 5.1829 7.6780 114.8183 55.4705 42.3751 174.9060 123 Y 4.7711 8.7331 120.3663 54.4478 42.5303 171.7384 124 P 3.1435 0.0000 0.0000 61.7374 31.5023 178.9678 125 G 3.4063 8.1728 117.8287 46.6082 0.0000 172.4876 126 S 4.0120 7.7795 113.7081 58.8205 62.1600 172.7206 127 I 4.6548 7.9675 129.2494 60.1256 41.4582 174.3238 128 E 4.6926 8.5529 124.1200 54.7316 33.5352 174.9532 129 V 4.7186 8.3743 123.9524 60.2400 34.6529 174.5354 130 R 4.6941 8.5266 124.8138 54.6484 35.2213 173.8710 131 W 5.1568 8.4597 122.1830 55.6262 32.4777 176.2010 *132 F 4.7590 8.8880 121.6106 58.0718 40.8029 172.3949 133 R 4.0469 9.3937 127.0154 57.3553 29.6552 174.2903 134 N 5.0124 7.7412 123.0428 53.0983 39.9077 177.2303 135 S 4.5943 8.0730 112.6747 58.3717 63.3288 173.7180 136 Q 4.1939 9.5569 120.5951 56.6724 27.5691 173.3344 137 E 4.6390 7.9596 108.1197 58.0700 33.7977 171.9342 *142 V 4.7812 8.2304 110.5936 65.0176 32.6717 176.2026 143 V 4.4301 7.6088 117.0006 61.0513 34.1227 174.6646 144 S 5.1673 8.2643 120.5074 57.6752 63.5241 173.3792 145 T 4.5219 8.0009 105.0367 60.6241 70.3896 174.4576 146 G 3.8113 8.1085 107.8040 43.9923 0.0000 171.4231 147 L 4.7681 8.2428 121.3437 53.7285 43.5327 177.1724 148 I 4.3825 8.5753 126.8364 59.5507 39.7190 174.7845 149 Q 3.6353 8.3988 126.9887 54.9123 28.2714 176.0078 150 N 4.2607 8.0655 122.7331 54.2473 38.8441 177.0749 151 G 3.9560 8.1352 105.7103 45.2701 0.0000 173.1735 152 D 4.8280 7.8450 117.8909 52.8932 39.6366 176.0749 153 W 3.5266 8.8915 116.8407 57.8658 26.0875 173.8515 154 T 5.0587 7.7311 104.3844 61.2331 72.3196 173.1160 155 F 4.9522 8.8688 122.5074 56.0782 42.7426 173.8754 156 Q 4.7014 7.5744 114.7467 56.7668 31.5764 172.7872 157 T 4.5486 8.7708 113.2961 62.0788 71.4590 172.1790 158 L 5.4897 8.5104 132.3127 53.8547 44.9101 174.3129 159 V 4.9226 8.5311 124.5522 60.0856 36.3695 172.3485 160 M 5.3609 8.0709 123.3900 55.4192 36.5690 174.2485 161 L 4.3988 7.9950 117.5234 58.8679 48.6426 172.8252 162 E 3.8807 8.9380 112.8710 57.3252 28.5957 170.0604 *165 P 4.5083 0.0000 0.0000 64.2882 32.6898 175.3776 166 R 4.1911 8.0061 117.7660 56.6256 30.1767 179.3929 167 S 5.0600 7.4229 109.8508 58.6681 65.8672 175.1871 168 G 4.1358 8.3068 108.6887 47.2852 0.0000 173.0483 169 E 4.4106 7.9865 115.7106 55.0295 30.8492 181.1776 170 V 4.5919 8.2754 116.7452 60.1902 34.6476 175.3436 *171 Y 5.6951 7.8944 121.3308 55.9570 40.4750 175.8223 172 T 5.3514 8.5841 115.0227 63.0288 73.7443 173.3519 173 C 4.0004 9.2274 128.6909 55.7761 42.5757 172.8861 174 Q 4.9239 8.3358 128.1476 54.3786 29.2922 171.2435 175 V 4.5913 9.4889 128.2900 60.7992 34.3945 175.2622 176 E 4.8518 8.4688 124.2609 54.9786 30.2583 171.9736 177 H 4.7651 8.0889 125.4696 53.0003 32.8299 173.4011 178 P 4.7038 0.0000 0.0000 63.2132 30.9042 177.0551 179 S 4.7146 8.2635 113.7749 58.9286 64.7000 173.7733 180 V 4.5728 7.3355 114.7432 59.7359 34.4231 176.0007 181 T 4.3949 8.5409 112.7144 62.2966 69.0997 174.4584 182 S 4.6047 7.5640 114.9436 56.0436 66.0347 172.2078 183 P 4.4938 0.0000 0.0000 63.7512 31.4255 175.1153 184 L 4.9618 10.0023 120.5659 53.7259 44.6769 175.4580 185 T 5.6313 8.0602 109.9647 61.5776 72.3833 173.0992 186 V 4.4021 8.2807 122.5349 62.7710 34.8751 172.3757 187 E 5.7833 8.9388 125.9548 54.1353 31.8579 171.6119 188 W 4.8206 9.9855 135.0000 55.9273 32.3128 177.1971 189 R 4.0041 8.1870 124.7338 56.2042 29.0595 172.5101 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 D 8.36 4.53 0.00 2.65 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 3 T 8.05 3.91 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 1.26 0.00 0.00 4 R 9.20 3.86 0.00 1.81 1.73 0.00 3.38 0.00 0.00 3.20 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 5 P 0.00 4.00 0.00 2.10 1.85 0.00 3.70 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 2.10 2.12 0.00 6 R 7.86 4.53 0.00 1.60 1.68 0.00 3.09 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 7 F 8.38 4.93 0.00 3.06 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 8 L 8.35 4.84 0.00 1.65 1.35 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.90 5.01 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.47 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 10 Q 9.06 4.75 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 11 D 8.84 5.29 0.00 2.60 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 12 K 8.97 4.67 0.00 1.60 1.67 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.38 7.81 13 Y 8.98 4.90 0.00 3.02 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 14 E 9.41 4.72 0.00 1.61 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 2.17 2.14 0.00 15 C 8.82 5.00 0.00 2.89 2.77 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 16 H 8.49 4.95 0.00 3.04 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 9.07 5.32 0.00 3.10 3.31 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 *18 F 9.11 4.66 0.00 1.92 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 0.00 0.00 0.00 0.00 19 N 9.79 4.41 0.00 2.76 2.80 0.00 0.00 6.84 7.52 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 20 G 8.14 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 0.00 0.00 0.00 0.00 21 T 8.64 4.42 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 22 E 7.26 3.67 0.00 2.20 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 23 R 8.20 4.52 0.00 1.93 1.79 0.00 3.09 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 1.58 1.57 0.00 24 V 8.45 4.69 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 0.74 0.00 0.00 1.04 0.00 0.00 25 R 8.52 4.58 0.00 1.53 1.77 0.00 3.31 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 26 F 8.78 5.03 0.00 3.13 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 27 L 8.16 4.75 0.00 1.51 1.18 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 28 H 9.09 4.83 0.00 2.96 2.99 0.00 5.60 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.84 4.88 0.00 1.64 1.74 0.00 3.10 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 30 D 9.20 5.23 0.00 2.65 2.63 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 31 I 8.84 4.93 1.90 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 1.12 0.42 0.96 0.00 0.00 32 Y 9.11 4.30 0.00 3.07 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 33 N 9.47 4.26 0.00 2.53 2.56 0.00 0.00 6.74 8.55 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 34 Q 7.92 4.44 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 35 E 8.36 4.58 0.00 2.20 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 0.00 2.45 2.32 0.00 36 E 8.91 4.40 0.00 1.96 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 2.30 2.30 0.00 37 D 9.10 4.86 0.00 2.95 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 38 L 7.73 5.24 0.00 1.82 1.58 1.09 0.88 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 39 R 9.01 5.17 0.00 1.90 1.73 0.00 3.05 0.00 0.00 3.02 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 40 F 9.01 4.39 0.00 1.51 2.19 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.72 4.89 0.00 2.55 2.24 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 42 S 8.85 4.19 0.00 4.16 4.45 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 0.00 0.00 0.00 0.00 43 D 8.24 4.58 0.00 2.84 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 44 V 7.68 4.07 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 0.67 0.00 0.00 0.79 0.00 0.00 45 G 7.23 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 46 E 6.46 5.48 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 47 Y 9.23 4.65 0.00 3.30 3.14 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 4.41 0.00 2.13 2.00 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 57 D 8.05 4.30 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.65 4.25 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 3.83 0.00 1.96 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 2.39 2.67 0.00 60 Y 7.82 4.24 0.00 2.72 2.72 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 61 W 8.01 4.41 0.00 3.29 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 62 N 8.30 5.09 0.00 2.81 2.97 0.00 0.00 6.86 7.09 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 63 S 7.58 4.72 0.00 3.99 3.95 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 64 Q 8.02 4.10 0.00 2.55 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.23 0.00 0.00 0.00 0.00 0.00 2.54 2.77 0.00 65 K 8.10 4.01 0.00 1.92 1.89 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.40 7.81 66 D 8.01 4.64 0.00 2.95 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 67 F 8.28 4.22 0.00 3.23 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 68 L 8.16 3.75 0.00 1.89 1.76 1.38 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.57 3.76 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.96 0.00 70 D 8.11 4.17 0.00 2.59 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 71 R 7.57 3.51 0.00 1.40 1.01 0.00 3.10 0.00 0.00 2.84 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.03 0.00 72 R 8.69 4.21 0.00 1.77 1.94 0.00 3.27 0.00 0.00 3.17 7.56 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 0.00 0.66 0.00 0.00 0.76 0.00 0.00 130 R 8.53 4.69 0.00 1.70 1.74 0.00 3.11 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 131 W 8.46 5.16 0.00 3.19 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 *132 F 8.89 4.76 0.00 1.93 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 0.00 0.00 0.00 0.00 133 R 9.39 4.05 0.00 1.80 1.86 0.00 3.34 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 134 N 7.74 5.01 0.00 2.75 2.74 0.00 0.00 6.44 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 0.00 135 S 8.07 4.59 0.00 3.94 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 0.00 136 Q 9.56 4.19 0.00 2.11 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.62 0.00 0.00 0.00 0.00 0.00 2.21 1.88 0.00 137 E 7.96 4.64 0.00 1.92 1.65 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 2.06 1.78 0.00 *142 V 8.23 4.78 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 1.23 0.00 0.00 0.92 0.00 0.00 143 V 7.61 4.43 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 0.95 0.00 0.00 0.94 0.00 0.00 144 S 8.26 5.17 0.00 3.90 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 0.00 145 T 8.00 4.52 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 1.29 0.00 0.00 146 G 8.11 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.24 4.77 0.00 1.76 1.69 1.40 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.58 4.38 1.83 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 1.23 0.88 0.85 0.00 0.00 149 Q 8.40 3.64 0.00 1.67 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.13 0.00 0.00 0.00 0.00 0.00 1.26 2.01 0.00 150 N 8.07 4.26 0.00 2.94 2.97 0.00 0.00 7.23 7.53 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 0.00 151 G 8.14 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 D 7.84 4.83 0.00 2.84 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 0.00 153 W 8.89 3.53 0.00 3.48 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.73 5.06 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 1.43 0.00 0.00 155 F 8.87 4.95 0.00 1.69 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 0.00 156 Q 7.57 4.70 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 157 T 8.77 4.55 4.52 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 1.41 0.00 0.00 158 L 8.51 5.49 0.00 1.33 1.47 0.92 0.85 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 0.00 159 V 8.53 4.92 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 0.00 160 M 8.07 5.36 0.00 1.52 1.91 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 2.44 2.36 0.00 161 L 7.99 4.40 0.00 1.31 1.47 0.92 1.17 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 0.00 162 E 8.94 3.88 0.00 2.07 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 2.08 1.82 0.00 *165 P 0.00 4.51 0.00 2.11 2.03 0.00 3.73 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 1.84 1.59 0.00 166 R 8.01 4.19 0.00 1.82 1.77 0.00 3.25 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 167 S 7.42 5.06 0.00 3.72 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 0.00 168 G 8.31 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 E 7.99 4.41 0.00 2.00 1.74 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 2.20 1.89 0.00 170 V 8.28 4.59 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 0.83 0.00 0.00 0.99 0.00 0.00 *171 Y 7.89 5.70 0.00 2.10 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 0.00 172 T 8.58 5.35 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 1.35 0.00 0.00 173 C 9.23 4.00 0.00 2.03 2.66 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 0.00 0.00 0.00 0.00 174 Q 8.34 4.92 0.00 1.80 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 175 V 9.49 4.59 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 0.70 0.00 0.00 0.77 0.00 0.00 176 E 8.47 4.85 0.00 1.74 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 2.14 2.10 0.00 177 H 8.09 4.77 0.00 2.96 3.07 0.00 5.64 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.70 0.00 2.09 1.99 0.00 3.12 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.71 0.00 179 S 8.26 4.71 0.00 4.08 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 0.00 180 V 7.34 4.57 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 0.99 0.00 0.00 1.04 0.00 0.00 181 T 8.54 4.39 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 182 S 7.56 4.60 0.00 3.99 3.81 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 0.00 0.00 0.00 183 P 0.00 4.49 0.00 2.06 2.09 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 184 L 10.00 4.96 0.00 1.71 1.54 0.90 0.58 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 0.00 185 T 8.06 5.63 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 186 V 8.28 4.40 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 0.94 0.00 0.00 0.95 0.00 0.00 187 E 8.94 5.78 0.00 1.78 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 2.15 1.69 0.00 188 W 9.99 4.82 0.00 3.42 3.31 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 0.00 189 R 8.19 4.00 0.00 1.86 1.67 0.00 3.35 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 1.49 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.