NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 W 5.2062 8.1333 118.0762 56.7033 30.5427 173.6967 2 N 5.4958 10.0657 117.9242 51.6283 42.9561 172.0154 3 N 5.3088 10.9336 122.7749 51.5241 42.5127 173.2779 4 I 5.1358 8.9328 124.1591 59.4963 41.2567 174.6204 5 V 4.7803 9.2687 126.3172 61.0409 35.0962 173.6648 6 F 5.1161 9.5091 130.5320 56.9216 41.5393 173.7913 7 Y 4.5534 8.0129 124.4450 56.6237 39.4894 174.4353 8 S 4.9456 8.9226 121.0127 57.0444 63.9478 173.3821 9 L 4.5274 8.6427 127.7370 53.8768 42.7080 177.5704 10 G 4.2824 7.9736 107.2212 44.5571 0.0000 171.1270 11 D 5.0852 8.8843 122.2923 51.9865 43.1447 176.9226 12 V 4.8605 8.1892 118.6417 61.3095 33.7801 173.9381 13 N 5.2574 9.3020 124.8833 52.2213 42.5403 173.2017 14 S 5.2339 8.7036 116.8870 57.0063 67.0249 173.1792 15 Y 4.6266 8.7719 122.8216 56.2215 42.2180 173.5162 16 Q 4.6399 8.4105 128.6301 55.5188 29.3085 175.2880 17 G 4.0442 9.5074 114.6223 45.9958 0.0000 175.3990 18 G 4.0024 8.5704 109.4858 45.2783 0.0000 171.9125 19 N 5.1959 8.6307 117.7638 53.3992 39.5040 175.2732 20 V 4.9260 9.2287 115.6553 59.8571 36.9444 174.4087 21 V 4.9722 8.7359 121.5862 59.6497 34.3620 176.6730 22 I 3.9268 8.7816 115.3129 62.5775 37.4366 176.7280 23 T 4.2333 7.6932 110.3650 62.2493 69.4871 174.5833 24 Q 4.5260 7.7429 121.3569 54.9986 30.4505 175.8780 25 R 5.3711 8.1409 118.2251 52.0067 30.4078 173.0419 26 P 4.5110 0.0000 0.0000 63.1044 32.6006 176.1407 27 Q 4.9363 8.6446 120.6133 55.1570 31.1299 174.3565 28 F 3.4920 8.1053 113.7211 55.0452 41.5855 173.0844 29 I 4.6046 7.1881 121.2644 60.0680 39.0993 174.9743 30 T 4.6961 8.9642 124.2548 62.1865 70.2762 173.6561 31 S 5.4141 8.7714 122.2711 55.5500 65.7728 173.7971 32 W 4.4959 9.1138 133.2357 56.8309 31.1062 175.6126 33 R 4.6937 8.1068 124.9191 53.5057 31.3213 174.0841 34 P 4.5344 0.0000 0.0000 62.7221 32.2531 176.7397 35 G 3.9557 7.8595 107.2510 45.8975 0.0000 171.5115 36 I 4.5186 8.4615 120.2689 60.9955 37.9836 175.6242 37 A 5.0731 9.2638 128.2957 50.4421 22.5209 175.0377 38 T 5.0950 8.6987 116.8096 61.3633 71.9771 174.0232 39 V 4.1528 9.0403 127.4070 63.3987 32.2207 176.0863 40 T 4.6992 8.3937 116.6024 60.9523 70.0886 173.5824 41 W 4.7067 8.0134 129.8442 57.2128 33.9113 172.3357 42 N 4.8362 7.4895 121.4465 52.1279 40.1414 173.7333 43 Q 3.9632 8.3621 121.0648 55.2565 32.0609 172.5189 44 C 5.5082 8.4674 123.4013 55.2623 44.3320 173.8343 45 N 4.8749 8.8228 117.4677 52.2891 38.6717 174.7851 46 G 3.6116 7.5780 108.9790 43.6366 0.0000 171.8290 47 P 4.1228 0.0000 0.0000 62.4193 32.3366 175.7666 48 E 3.8312 8.3802 120.4025 58.0879 30.7338 176.0972 49 F 5.3981 7.9135 115.4412 55.4422 42.7518 174.4208 50 A 4.8778 9.0433 125.0169 50.3905 20.6394 177.0683 51 D 4.7269 9.1807 121.6224 53.2697 40.1191 176.9879 52 G 4.1753 8.5511 108.5698 46.7950 0.0000 174.7515 53 F 4.5784 8.3469 116.4757 57.9008 39.2053 175.5878 54 W 5.4250 8.1407 120.2228 54.7502 32.6812 174.6243 55 A 3.7761 8.5923 124.8999 51.5040 19.4861 175.7463 56 Y 4.8351 7.6244 117.1002 56.1868 42.5815 172.9605 57 Y 5.0465 9.3188 117.0890 56.2631 41.3636 175.2854 58 R 5.1252 8.9951 122.8388 54.7750 32.8463 175.2251 59 E 4.8910 9.1666 123.5183 54.9891 32.4651 173.4348 60 Y 5.6818 8.6765 125.2569 56.4397 40.9070 175.1841 61 I 5.3059 9.0306 123.9136 59.5955 40.6777 175.1537 62 A 4.7734 9.2413 129.8951 51.6154 19.8175 176.1704 63 W 5.7694 10.0814 120.2973 55.1935 33.8414 174.8387 64 V 5.2529 9.2560 122.1737 61.5515 34.8038 173.8932 65 V 4.8702 9.4782 128.1965 61.1411 34.0825 173.8132 66 F 5.0838 8.9673 130.3287 55.3064 42.4550 172.5085 67 P 4.6900 0.0000 0.0000 63.1949 31.6074 176.3618 68 K 4.5137 8.9810 120.5952 57.5092 33.2970 176.2899 69 K 5.0279 7.7002 120.0796 54.9658 35.3071 175.8659 70 V 4.1833 8.2303 126.7801 60.9350 35.1662 174.0899 *72 T 4.4453 8.4624 109.1125 61.3644 69.9762 174.6471 73 Q 3.9721 8.8680 122.8410 59.3514 29.0081 176.7623 74 N 4.7403 8.3163 112.4082 53.0890 37.2732 175.1786 75 G 3.7641 8.4251 105.5622 46.3765 0.0000 172.9792 76 Y 4.7625 8.2271 116.7832 54.9926 40.2994 173.8555 77 P 4.6018 0.0000 0.0000 62.4516 32.7043 175.2427 78 L 4.7975 8.9718 123.6983 52.9581 44.8198 175.2937 79 F 4.8752 9.0270 122.0361 56.0811 40.7776 174.8289 80 I 4.8223 8.6915 126.1479 60.3556 38.1386 175.4071 81 E 5.5861 9.1760 125.8972 53.3534 33.6341 175.2189 82 V 3.5420 8.3104 122.7243 63.2020 31.7730 174.6707 83 H 4.5963 8.7192 127.9967 57.4961 31.5404 174.4649 84 N 4.6459 7.2945 119.0028 52.1980 41.2640 174.6059 85 K 3.8650 8.8341 125.5107 56.0486 34.3819 178.0034 86 G 3.7074 7.9735 109.6092 47.4894 0.0000 175.1631 87 S 4.4790 9.2895 119.2024 58.0749 63.4109 174.7157 88 W 4.2943 7.9393 121.9943 57.0889 29.7693 176.0416 89 S 4.5015 9.3533 119.6598 57.4752 62.7324 172.7204 90 E 4.6564 8.8818 129.8163 55.7174 29.9095 174.9191 91 E 4.5827 8.7654 126.3330 53.6097 33.9351 174.8851 92 N 3.6476 8.1693 115.5630 54.3552 37.0701 175.6761 93 T 3.9161 7.8673 107.5112 64.3365 69.0975 175.6128 94 G 3.6118 7.8408 109.8689 47.4282 0.0000 173.4369 95 D 4.4010 7.5686 119.9349 54.5783 41.5734 176.1514 96 N 4.5253 8.7420 123.1040 55.3119 39.1666 175.4219 97 D 4.8576 8.6289 117.0794 54.5696 43.3822 176.5372 98 S 4.8602 7.9606 112.0363 56.9570 67.1916 173.2347 99 Y 4.4718 9.1987 120.9758 56.9195 40.2897 174.8090 100 F 5.0946 8.2938 119.4171 55.8909 42.9464 173.7115 101 F 5.4771 9.4985 123.0906 55.6744 41.8161 174.6419 102 L 5.4465 9.3692 122.6285 53.0639 46.2403 176.0542 103 K 4.4246 9.1522 122.9825 55.0082 34.5513 175.0699 104 G 4.5375 8.7542 115.4271 45.2871 0.0000 170.9395 105 Y 5.1231 8.6897 123.3537 56.0147 39.1908 175.8691 106 K 4.0601 7.5553 122.1376 54.6005 35.1964 174.5660 107 W 5.3646 7.6163 121.2209 56.1994 30.6427 173.1433 108 D 4.3374 8.7808 116.7655 55.2385 38.2700 173.3152 109 E 4.2655 7.7378 120.4626 54.8912 30.2799 175.3537 110 R 3.8982 8.4388 128.1316 56.2029 30.9986 175.3425 111 A 4.5762 8.1894 126.4100 50.7407 22.8447 176.6069 112 F 4.6502 8.6685 115.9908 55.9463 40.5785 175.1511 113 D 4.6480 8.3048 120.2054 54.8400 40.8585 176.8582 114 A 4.4327 9.0199 125.3980 51.4030 19.5456 176.7418 115 G 4.0401 8.1100 107.9995 46.1808 0.0000 170.6497 116 N 5.0315 8.3864 119.1780 52.3842 39.2244 174.4123 117 L 3.9336 8.2759 126.3909 54.5782 42.2623 177.3433 118 C 4.9252 8.3907 117.3242 55.7898 44.7900 173.9274 119 Q 4.1616 7.7604 120.2228 55.9294 29.7078 177.1545 120 K 4.2814 8.2320 120.6684 54.4735 33.4622 174.5925 121 P 4.3926 0.0000 0.0000 64.8025 31.5954 176.3118 122 G 4.0737 9.1296 111.0384 45.4012 0.0000 173.9691 123 E 4.4342 8.2115 119.0324 56.2925 30.7510 176.0168 124 I 5.6757 7.8964 114.0196 58.9714 41.3221 173.8342 125 T 4.4478 8.1458 114.5069 61.4379 70.7022 171.4024 126 R 4.8786 8.5399 125.9806 55.0346 31.7207 175.1526 127 L 4.8026 8.9649 127.3549 53.6104 43.1773 177.1799 128 T 4.5422 8.1535 113.5002 61.4121 69.7423 175.0739 129 E 4.0705 8.1874 121.8599 56.2661 30.1756 175.7994 130 K 4.7224 7.8382 121.6946 54.6064 34.7577 175.1441 131 F 4.3967 8.1678 122.4927 54.7926 42.7184 174.1610 132 D 4.5241 8.2784 121.0638 54.6576 41.2701 175.4948 133 D 5.0658 8.4974 123.2674 54.2674 43.0026 175.1710 134 I 4.5238 8.5593 119.9896 59.6440 41.0568 174.5985 135 I 4.4300 8.2408 128.2027 59.4991 39.2307 175.0002 136 F 4.9059 8.1202 125.0316 55.1755 42.5857 174.3408 137 K 4.8085 8.8077 118.8848 55.0972 36.3400 175.1656 138 V 4.9605 8.6404 121.0627 61.1736 34.8001 173.8937 139 A 4.9188 9.2414 129.8378 50.6692 20.6950 175.7788 140 L 5.0418 8.4148 122.9226 52.3724 43.6613 175.0571 141 P 4.4719 0.0000 0.0000 62.3191 32.1467 177.2663 142 A 4.0071 8.7498 124.5572 55.2652 18.3904 177.8640 143 D 4.7018 8.0382 112.9087 53.2085 39.7145 176.0481 144 L 3.2453 7.6673 122.9511 54.3168 42.3070 175.2043 145 P 4.3665 0.0000 0.0000 62.3539 31.9431 176.2777 146 L 4.2741 8.1189 120.8825 55.2032 42.3553 175.9707 147 G 3.8893 8.1014 106.3393 43.3864 0.0000 172.5386 148 D 4.9269 8.0303 119.6132 54.1570 41.7507 176.1424 149 Y 4.2497 8.8030 119.6554 56.1472 41.9498 174.8876 150 S 4.7821 8.4380 116.7678 56.6405 64.3393 171.9025 151 V 4.2796 9.3167 127.7857 61.0292 33.0796 174.5907 152 K 4.5445 8.7268 128.1733 56.0214 32.7165 176.6631 153 I 4.2985 8.2840 126.7144 58.8010 39.0449 173.1532 154 P 4.7936 0.0000 0.0000 62.5875 32.3145 175.3674 155 Y 4.7492 8.3945 120.2114 56.4949 42.0662 173.1816 156 T 5.0987 8.9207 116.7644 62.0162 71.1181 174.1503 157 S 5.3402 8.4137 118.7679 55.6117 67.0592 174.1185 158 G 4.5183 9.3038 113.0577 46.4250 0.0000 175.2874 *160 Q 4.8156 8.1878 129.5790 55.9183 30.4268 172.2252 161 R 4.8677 9.3534 126.3477 54.6216 32.9268 174.4377 162 H 5.3686 9.2448 124.3185 54.4976 32.4483 172.3707 163 F 5.6860 9.4942 124.9160 55.9979 41.6714 174.8112 164 A 4.6648 8.8642 123.4090 50.1493 22.7306 176.6196 165 S 4.1273 7.0735 112.8042 58.8582 63.5154 173.5844 166 Y 4.6836 6.6875 117.3117 54.9186 40.9849 174.2667 167 L 3.1210 7.7027 122.6151 55.8243 42.7067 177.0012 168 G 3.9023 8.5724 113.3552 45.0979 0.0000 173.3080 169 A 4.1935 7.2605 122.5634 51.9120 18.8007 177.7249 170 R 5.1456 8.4681 120.9503 54.5228 33.9315 174.6597 171 F 4.8119 9.1600 122.8529 57.0056 42.7730 173.4353 172 K 4.7908 7.3013 126.0041 54.0872 35.1547 176.2397 173 I 3.4831 8.6417 124.9537 60.5218 37.5472 175.0299 174 P 3.9810 0.0000 0.0000 62.6569 32.9244 177.0408 175 Y 4.1770 7.9777 119.7658 61.3867 37.5846 178.9621 176 N 4.4762 8.0649 116.2977 55.6029 37.5580 177.1542 177 V 3.5762 7.3776 119.9880 65.6629 31.8130 177.4107 178 A 3.3733 7.6425 120.9198 54.9087 17.8773 179.7456 179 K 4.0404 8.5011 115.5798 59.7336 32.7001 177.8920 180 T 4.2900 7.6244 114.4271 63.4769 69.0627 175.1871 181 L 4.0583 7.2547 121.8862 53.6938 42.1634 175.3062 182 P 4.2488 0.0000 0.0000 63.4436 31.6741 177.3781 183 R 4.6565 8.0636 121.5001 54.3241 28.5924 175.7883 184 E 4.1405 8.1047 121.0770 57.3610 30.6548 176.5122 185 N 4.5700 7.5462 116.8835 52.8042 40.5946 174.0537 186 E 4.9519 8.1425 119.4756 54.9505 33.8197 173.2462 *188 L 4.4682 8.4758 120.6696 55.1950 43.3980 175.8609 189 F 5.1781 9.4288 130.2344 57.4168 40.6306 174.2022 190 L 5.6099 8.6592 126.3721 52.3252 44.5104 175.5628 191 F 4.9108 7.2793 114.7364 56.3433 40.8330 172.1856 192 K 4.9715 8.8549 121.9509 54.6737 34.7797 174.4791 193 N 5.2958 9.7049 128.1810 53.0503 39.4988 174.5242 194 I 4.2378 8.5963 120.3976 60.2888 38.3411 175.4602 195 G 3.9261 9.1950 108.4223 46.5977 0.0000 175.0073 196 G 4.0055 8.9785 112.5159 45.7036 0.0000 172.7650 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 W 8.13 5.21 0.00 3.66 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 N 10.07 5.50 0.00 2.70 2.74 0.00 0.00 7.17 6.04 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 3 N 10.93 5.31 0.00 2.99 2.95 0.00 0.00 6.37 7.77 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 4 I 8.93 5.14 1.84 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.52 1.36 0.00 0.00 5 V 9.27 4.78 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 0.37 0.00 0.00 1.00 0.00 0.00 6 F 9.51 5.12 0.00 3.28 3.08 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 7 Y 8.01 4.55 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.92 4.95 0.00 4.07 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 9 L 8.64 4.53 0.00 1.28 1.35 0.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.97 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 11 D 8.88 5.09 0.00 2.80 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 12 V 8.19 4.86 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 0.88 0.00 0.00 0.91 0.00 0.00 13 N 9.30 5.26 0.00 2.77 2.75 0.00 0.00 6.97 7.23 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 14 S 8.70 5.23 0.00 3.79 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 15 Y 8.77 4.63 0.00 3.29 3.05 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 16 Q 8.41 4.64 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 17 G 9.51 4.04 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 0.00 0.00 0.00 18 G 8.57 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 5.20 0.00 2.66 2.80 0.00 0.00 6.51 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 20 V 9.23 4.93 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 0.78 0.00 0.00 0.89 0.00 0.00 21 V 8.74 4.97 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 0.99 0.00 0.00 22 I 8.78 3.93 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 1.35 0.68 0.96 0.00 0.00 23 T 7.69 4.23 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 24 Q 7.74 4.53 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.11 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 25 R 8.14 5.37 0.00 1.60 1.79 0.00 3.25 0.00 0.00 4.01 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.40 0.00 26 P 0.00 4.51 0.00 2.47 2.25 0.00 3.84 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 1.77 0.00 27 Q 8.64 4.94 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 28 F 8.11 3.49 0.00 2.38 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.19 4.60 2.09 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.58 0.97 0.00 0.00 30 T 8.96 4.70 4.36 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 1.18 0.00 0.00 31 S 8.77 5.41 0.00 3.89 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 9.11 4.50 0.00 3.84 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 33 R 8.11 4.69 0.00 1.79 1.85 0.00 3.35 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 34 P 0.00 4.53 0.00 2.14 2.23 0.00 3.89 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.65 0.00 35 G 7.86 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 36 I 8.46 4.52 1.88 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 1.29 0.86 0.94 0.00 0.00 37 A 9.26 5.07 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.70 5.09 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 39 V 9.04 4.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.58 0.00 0.00 40 T 8.39 4.70 4.35 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 1.36 0.00 0.00 41 W 8.01 4.71 0.00 3.32 2.97 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 42 N 7.49 4.84 0.00 2.59 2.54 0.00 0.00 5.80 7.39 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 43 Q 8.36 3.96 0.00 1.38 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 44 C 8.47 5.51 0.00 2.69 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 45 N 8.82 4.87 0.00 2.73 2.83 0.00 0.00 6.80 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 46 G 7.58 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.88 4.66 0.00 2.19 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.92 0.00 91 E 8.77 4.58 0.00 1.75 1.77 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 2.22 2.39 0.00 92 N 8.17 3.65 0.00 1.44 1.60 0.00 0.00 6.63 7.22 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 93 T 7.87 3.92 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 1.19 0.00 0.00 94 G 7.84 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.57 4.40 0.00 2.90 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 96 N 8.74 4.53 0.00 2.74 2.84 0.00 0.00 6.91 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.63 4.86 0.00 2.53 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 98 S 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.11 4.04 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 0.00 0.00 0.00 116 N 8.39 5.03 0.00 2.86 2.78 0.00 0.00 6.90 7.78 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 0.00 117 L 8.28 3.93 0.00 1.25 1.22 0.09 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 118 C 8.39 4.93 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 0.00 119 Q 7.76 4.16 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.71 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 120 K 8.23 4.28 0.00 1.77 1.65 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.37 7.81 121 P 0.00 4.39 0.00 2.01 2.01 0.00 3.58 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 122 G 9.13 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 0.00 123 E 8.21 4.43 0.00 2.02 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 2.45 2.41 0.00 124 I 7.90 5.68 1.99 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 1.26 0.28 0.95 0.00 0.00 125 T 8.15 4.45 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 0.76 0.00 0.00 126 R 8.54 4.88 0.00 1.88 1.83 0.00 3.29 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 127 L 8.96 4.80 0.00 1.74 1.79 1.06 0.43 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 0.00 128 T 8.15 4.54 4.29 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 1.26 0.00 0.00 129 E 8.19 4.07 0.00 2.16 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 2.33 2.32 0.00 130 K 7.84 4.72 0.00 1.65 1.47 0.00 1.94 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.41 7.81 131 F 8.17 4.40 0.00 2.60 2.39 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 0.00 132 D 8.28 4.52 0.00 2.47 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 0.00 133 D 8.50 5.07 0.00 2.67 2.59 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 0.00 134 I 8.56 4.52 1.19 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.22 -0.80 0.00 0.00 135 I 8.24 4.43 1.63 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.48 0.77 0.00 0.00 136 F 8.12 4.91 0.00 1.51 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 0.00 137 K 8.81 4.81 0.00 1.79 1.65 0.00 1.18 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.36 1.30 7.81 138 V 8.64 4.96 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.97 0.00 0.00 139 A 9.24 4.92 1.28 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 0.00 140 L 8.41 5.04 0.00 1.49 1.53 0.63 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 4.47 0.00 2.63 2.45 0.00 3.76 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 142 A 8.75 4.01 1.32 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 0.00 0.00 143 D 8.04 4.70 0.00 2.94 2.86 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 0.00 144 L 7.67 3.25 0.00 1.59 1.53 0.59 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.37 0.00 2.11 1.97 0.00 3.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 146 L 8.12 4.27 0.00 1.65 1.64 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.10 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 0.00 0.00 0.00 148 D 8.03 4.93 0.00 2.37 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 8.80 4.25 0.00 1.43 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 0.00 150 S 8.44 4.78 0.00 3.71 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 0.00 151 V 9.32 4.28 2.33 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 0.83 0.00 0.00 1.13 0.00 0.00 152 K 8.73 4.54 0.00 1.68 1.74 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.47 7.81 153 I 8.28 4.30 1.77 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.05 0.55 0.00 0.00 154 P 0.00 4.79 0.00 1.85 1.90 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 155 Y 8.39 4.75 0.00 3.10 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 0.00 156 T 8.92 5.10 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 1.36 0.00 0.00 157 S 8.41 5.34 0.00 3.91 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 0.00 158 G 9.30 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 0.00 0.00 0.00 0.00 *160 Q 8.19 4.82 0.00 2.74 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.70 2.81 0.00 161 R 9.35 4.87 0.00 1.81 1.33 0.00 3.03 0.00 0.00 2.77 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.46 0.00 162 H 9.24 5.37 0.00 3.34 3.48 0.00 5.56 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 F 9.49 5.69 0.00 3.36 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 0.00 164 A 8.86 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 7.07 4.13 0.00 3.61 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 0.00 166 Y 6.69 4.68 0.00 2.91 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 0.00 167 L 7.70 3.12 0.00 0.89 1.32 0.81 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 168 G 8.57 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 0.00 169 A 7.26 4.19 0.65 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 0.00 0.00 170 R 8.47 5.15 0.00 1.83 1.84 0.00 3.36 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.54 0.00 171 F 9.16 4.81 0.00 2.86 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 0.00 172 K 7.30 4.79 0.00 1.46 1.59 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.59 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.34 7.81 173 I 8.64 3.48 1.02 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.69 -0.21 0.00 0.00 174 P 0.00 3.98 0.00 2.08 1.84 0.00 3.31 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 175 Y 7.98 4.18 0.00 2.83 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 0.00 176 N 8.06 4.48 0.00 2.84 2.96 0.00 0.00 5.97 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 0.00 177 V 7.38 3.58 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 0.31 0.00 0.00 0.88 0.00 0.00 178 A 7.64 3.37 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 K 8.50 4.04 0.00 1.99 2.48 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.46 7.81 180 T 7.62 4.29 4.19 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 1.20 0.00 0.00 181 L 7.25 4.06 0.00 1.51 1.47 -0.36 0.76 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 0.00 182 P 0.00 4.25 0.00 2.06 2.00 0.00 3.69 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 2.07 2.14 0.00 183 R 8.06 4.66 0.00 1.72 1.84 0.00 3.18 0.00 0.00 3.04 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 184 E 8.10 4.14 0.00 2.17 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 2.35 2.32 0.00 185 N 7.55 4.57 0.00 1.44 1.64 0.00 0.00 6.22 7.07 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 0.00 186 E 8.14 4.95 0.00 1.96 1.75 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 2.22 2.08 0.00 *188 L 8.48 4.47 0.00 1.88 1.76 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 189 F 9.43 5.18 0.00 2.75 2.97 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 0.00 190 L 8.66 5.61 0.00 1.61 1.44 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 191 F 7.28 4.91 0.00 3.08 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 0.00 192 K 8.85 4.97 0.00 1.79 1.91 0.00 1.85 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.36 7.81 193 N 9.70 5.30 0.00 3.10 2.98 0.00 0.00 6.44 7.49 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 0.00 194 I 8.60 4.24 1.90 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 1.38 0.79 0.95 0.00 0.00 195 G 9.19 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 G 8.98 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.