NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6213 8.1933 115.5581 58.2276 64.0825 173.0441 2 K 4.2723 9.2263 127.3183 55.0281 34.6628 174.4364 3 K 4.9754 10.0130 123.0188 55.2071 34.2959 175.2096 4 I 4.3139 9.0571 127.3751 59.1316 39.7339 175.1020 5 G 4.0456 8.4069 114.5932 44.8060 0.0000 172.5055 6 I 4.3896 8.1618 127.7507 60.2641 38.3840 175.7380 7 F 4.8111 9.3294 130.9404 56.2646 40.0888 174.5543 8 G 4.2650 8.9565 112.0786 45.6534 0.0000 170.3317 9 G 3.2156 7.7587 107.1045 46.3617 0.0000 174.1198 10 T 3.9978 8.1298 115.7550 63.6883 69.3500 175.5567 11 F 3.8523 7.1840 119.4906 58.6214 36.3742 176.0177 12 D 5.0402 7.5619 117.7404 50.7260 39.5529 173.3920 13 P 5.1284 0.0000 0.0000 60.1956 33.9983 174.0979 14 P 4.6578 0.0000 0.0000 62.7202 32.0597 175.4424 15 H 5.1146 8.4537 115.6208 53.0118 31.9882 173.7638 16 N 4.6557 9.1210 116.4748 56.3253 38.0666 177.9473 17 G 3.6184 7.9320 106.9825 48.0289 0.0000 175.3368 18 H 4.6885 8.2257 118.1524 58.8229 28.7258 177.9274 19 L 4.3946 8.2049 120.3192 57.7653 41.5887 179.0941 20 L 4.1093 8.5135 120.5320 58.4971 42.0690 178.5743 21 M 4.0468 8.3704 117.8205 58.6694 32.1593 177.9642 22 A 3.8420 8.3596 120.7861 55.2373 18.5908 179.0914 23 N 4.6678 8.8557 115.7784 57.0583 38.9845 176.9770 24 E 4.1130 8.5460 120.0542 59.3334 29.5746 179.5034 25 V 3.5233 8.0410 118.4032 65.8324 31.5300 177.3566 26 L 3.8866 8.3477 120.5432 58.6890 41.8720 178.5111 27 Y 3.9749 8.2334 118.7095 60.9845 38.7103 177.6857 28 Q 3.8103 8.4330 117.6216 58.1309 28.8640 177.7629 29 A 4.3820 7.8484 119.0193 50.4022 19.9403 176.7065 30 G 3.6731 7.4919 105.5472 46.4965 0.0000 173.8406 31 L 4.2079 7.7194 117.9320 53.6429 43.4815 177.0306 32 D 4.6982 8.4543 119.2688 56.3488 41.8118 177.0947 33 E 5.1055 7.7805 115.2272 54.8746 34.9521 174.3241 34 I 4.7794 9.0548 121.6527 59.4438 40.7307 174.7126 35 W 5.5012 9.3967 127.7784 55.0410 31.0805 175.4253 36 F 4.3150 9.6823 125.9009 57.5601 39.2780 174.8229 37 M 5.3325 9.1841 124.4904 51.5530 33.3979 172.3912 38 P 5.1604 0.0000 0.0000 62.4824 32.0421 176.1393 39 N 4.7975 9.0087 122.6919 52.5161 38.0339 174.4775 40 Q 4.3406 8.9087 119.5295 57.2392 31.2177 176.2337 41 I 3.1847 7.7589 120.1090 61.5678 34.3159 173.8579 *51 T 4.2021 8.0789 117.8877 63.5006 70.5176 174.4093 52 D 4.5346 8.5606 124.8305 54.3379 42.6953 177.6300 53 S 4.1384 8.8773 120.2812 62.0412 62.8481 176.6211 54 F 3.9989 8.4220 122.3694 62.0230 38.9394 176.8423 55 H 4.2328 8.1439 115.9802 58.5035 28.6671 177.8584 56 R 3.9741 7.8329 119.5424 59.2762 29.9766 179.3612 57 V 3.4413 8.1274 118.3956 65.9168 31.3730 178.0269 58 E 3.5898 7.8023 118.4410 59.4814 29.1386 179.2565 59 M 3.6568 8.0618 118.9754 58.0968 31.9446 178.8334 60 L 3.6885 7.7664 119.2182 57.4029 41.6826 179.6204 61 K 3.7541 7.5968 118.0615 59.3572 31.7833 179.2549 62 L 3.8430 7.1427 117.4518 57.6802 41.6252 179.0101 63 A 4.0987 7.6508 119.4845 55.2122 18.5762 179.3086 64 I 3.9839 7.6799 110.1595 62.5962 37.7516 178.1028 65 Q 3.8605 7.8153 120.5689 59.1410 28.7018 179.0136 66 S 4.1053 7.9979 111.4219 59.6157 63.7719 173.0934 67 N 4.5825 8.1255 121.3482 50.9121 39.1969 173.1890 68 P 4.2587 0.0000 0.0000 65.6224 31.6806 177.4705 69 S 4.6527 7.8459 111.9723 58.9837 63.9420 173.6978 70 F 5.8551 7.9906 119.2275 56.2559 40.4849 175.5364 71 K 4.7366 9.3286 120.8331 54.7377 36.8770 174.8035 72 L 4.8696 8.3123 124.5272 53.7951 43.3413 175.2756 73 E 4.3419 8.8675 126.2019 54.0978 32.9699 175.5917 74 L 4.5671 8.2385 127.2225 54.9119 42.6750 179.2572 75 V 3.6761 7.8960 115.2664 64.4566 31.2169 177.1731 76 E 4.1460 8.2872 117.5846 58.1958 29.3792 177.3277 77 M 4.5798 7.8893 116.5673 55.7883 31.3595 176.0920 78 E 4.7420 7.9281 118.9564 56.1042 30.5770 178.1339 79 R 4.0309 8.0437 119.9710 58.1568 30.4783 176.0097 80 E 4.7010 7.5767 117.3789 55.1893 30.0904 176.5992 81 G 4.1776 8.5448 114.9857 45.0407 0.0000 172.1394 82 P 4.2294 0.0000 0.0000 63.1804 30.0296 175.4269 83 S 4.6649 7.9781 110.7375 58.4440 65.7712 173.7866 84 Y 4.7407 7.7579 119.7659 55.9378 41.6264 173.0872 85 T 4.8799 7.3482 122.7151 61.7825 70.3680 174.1924 86 F 4.5264 8.9632 125.9339 56.8379 40.6772 175.1083 87 D 4.8055 8.6152 120.3848 52.6836 41.7270 177.7013 88 T 3.9439 8.6662 115.3465 66.8446 68.4292 176.8220 89 V 3.8162 7.9386 119.5441 66.3783 31.5364 178.0742 90 S 4.2641 8.9643 115.1578 61.6624 62.6489 176.5166 91 L 3.6503 7.9941 122.5510 57.7170 41.6685 179.0244 92 L 4.2404 8.1419 119.1231 57.9975 41.4621 179.6951 93 K 3.9974 7.9599 116.9211 59.3147 31.9822 178.9630 94 Q 4.0860 7.9057 119.3192 59.2429 29.0794 178.0808 95 R 3.9224 7.9190 117.7856 57.4327 31.6713 176.5313 96 Y 4.8915 8.5683 115.8078 55.5361 38.3822 174.3800 97 P 4.3177 0.0000 0.0000 65.2379 31.9145 177.5048 98 N 4.6688 8.0251 114.7267 53.7728 39.5977 174.2944 99 D 4.7171 7.5791 117.0683 54.0127 42.3036 176.3278 100 Q 4.2144 9.0833 120.9759 54.9369 30.0142 174.8952 101 L 4.5074 8.2357 125.8058 53.3531 43.4549 175.8881 102 F 4.8358 9.4075 124.2374 55.7118 41.1299 174.9791 103 F 4.8771 9.1507 123.1966 56.2009 41.2832 174.8825 104 I 4.8164 8.4276 122.6167 60.1037 38.6919 174.9864 105 I 4.4971 8.8778 128.5910 59.2449 39.5729 175.3575 106 G 4.1646 8.7631 114.5322 45.6058 0.0000 173.7463 107 A 5.0026 8.5410 127.2462 51.3282 18.4640 176.1223 108 D 4.3565 8.4967 117.6599 55.1138 42.5320 175.7933 109 M 4.3464 8.0488 116.6135 56.5627 33.8106 176.0989 110 I 4.7732 7.4647 116.9471 59.0759 40.2890 175.1883 111 E 3.9710 8.9687 124.3192 58.5763 30.6209 175.6486 112 Y 5.3002 8.0869 118.9484 55.4952 41.5465 174.8341 113 L 4.7117 7.3254 127.0996 52.2861 43.9664 174.5786 114 P 4.3843 0.0000 0.0000 62.6893 32.4235 176.8592 115 K 3.5418 8.0961 122.3683 54.8555 30.3650 176.5980 116 W 4.5130 8.0883 117.0567 57.6003 29.3942 176.6320 117 Y 4.4163 7.8173 120.3598 55.3590 40.3719 175.4577 118 K 3.9431 7.5595 126.7329 55.0874 31.0141 175.9346 119 L 4.4208 7.5950 123.5597 53.6336 43.2631 176.5051 *125 L 4.2905 8.1396 116.9626 53.9475 44.3673 177.0250 126 I 4.7266 7.5789 118.7081 59.5452 39.1214 175.2713 127 Q 4.3071 8.3512 124.5806 54.0822 33.5204 173.7944 128 F 5.4906 8.4161 117.5136 55.9920 43.1411 174.9243 129 I 4.6715 8.9298 120.8490 59.7543 41.1529 174.9007 130 G 4.1802 8.5768 114.2950 45.1437 0.0000 172.8179 131 V 5.2503 8.5500 115.9197 59.2208 34.9073 175.0097 132 K 4.9421 8.8100 122.8808 55.5801 36.6409 175.4772 133 R 5.0178 9.5990 120.7133 54.7861 31.2957 174.8846 134 P 4.7798 0.0000 0.0000 64.3420 31.9049 175.6888 135 G 3.9627 8.8775 109.4954 45.4515 0.0000 173.4771 136 F 4.1797 7.6726 121.7868 58.2404 39.4718 174.0636 137 H 4.4086 8.0212 125.8215 54.8517 29.5385 174.7284 138 V 4.5327 7.8356 123.3466 61.0017 34.3593 174.1792 139 E 4.8852 9.0216 126.9160 55.1294 32.4152 174.8796 140 T 4.6955 8.2438 116.0459 60.4072 69.9182 171.8941 141 P 4.4246 0.0000 0.0000 64.8590 31.7949 176.2695 142 Y 4.5081 7.4362 117.6566 57.5423 38.8197 174.8039 143 P 4.6738 0.0000 0.0000 61.1235 30.2390 175.4076 144 L 4.3739 7.4783 120.2805 53.5841 43.9793 175.1031 145 L 4.5112 8.1403 127.0926 54.4440 43.4970 175.0910 146 F 5.3607 8.9993 123.6973 55.6777 42.1703 174.3925 147 A 4.8318 9.4753 124.1892 50.4743 21.4041 175.7364 148 D 4.8699 9.6520 124.1181 53.4340 40.8788 175.6008 149 V 4.2388 8.5091 124.5066 60.4025 33.0136 173.7088 150 P 4.4090 0.0000 0.0000 62.4578 31.8695 175.8430 151 E 4.0260 8.5376 122.7421 56.4172 30.0989 176.6602 152 F 4.7732 8.3645 127.4984 57.1345 40.8656 174.4476 153 E 4.4031 8.8177 133.6088 55.1473 27.8181 176.4427 154 V 4.3394 7.0184 118.6287 59.0489 35.0416 176.2123 155 S 4.5717 7.9090 116.2563 55.6462 67.5142 175.3752 156 S 4.1352 8.5616 117.9812 62.1075 62.6382 176.8277 157 T 3.7809 7.9025 117.8321 67.0405 68.2119 175.8850 158 M 3.9649 7.7663 119.2052 58.8146 32.2297 178.3627 159 I 3.5956 7.7739 119.8064 64.2270 37.2460 178.5183 160 R 3.6861 8.2386 119.3344 59.3402 29.8412 178.8605 161 E 3.9876 8.1154 118.1600 59.6152 29.4722 179.7289 162 R 3.8761 7.9257 117.9711 59.1890 29.9298 179.1759 163 F 4.2781 8.2409 117.6567 60.4094 38.7095 177.6503 164 K 4.1088 8.2542 118.5681 59.1446 32.1196 178.0774 165 S 4.5628 8.0371 111.4866 57.4790 63.2656 174.0629 166 K 3.9223 7.5042 119.9338 57.7439 29.7941 176.0177 167 K 4.3756 8.2200 117.7771 54.5697 33.1396 175.3634 168 P 4.3982 0.0000 0.0000 63.3054 31.9431 176.6526 169 T 4.4440 7.9922 107.3097 60.6995 70.1781 173.5744 170 D 4.2402 7.8441 122.4973 56.1689 41.1170 176.3029 171 Y 3.8741 8.1172 119.0325 58.4292 35.9302 169.7540 172 L 4.6745 7.9052 120.0669 55.0161 43.4759 176.3335 173 I 5.0091 7.2910 109.1690 57.2380 40.9308 173.6699 174 P 4.4379 0.0000 0.0000 62.5961 33.1266 177.4753 175 D 4.4246 8.7435 121.1629 57.6694 40.8246 179.4791 176 K 4.2719 8.0249 118.3556 59.0927 32.0255 179.4698 177 V 3.6509 7.6333 118.4931 65.6272 31.6261 177.7511 178 K 4.1997 8.1720 119.4989 59.5726 32.1808 178.5395 179 K 3.9377 8.6194 120.2719 59.8414 31.9971 178.1015 180 Y 3.9707 8.0150 119.7244 60.4143 38.6888 178.0395 181 V 3.4037 8.0418 119.3868 65.7769 31.4971 177.8731 182 E 3.8823 8.1022 118.4955 59.3052 29.2399 178.7304 183 E 4.1700 7.6851 112.9636 57.4104 30.0420 176.7345 184 N 4.5431 7.3755 114.8887 52.0867 39.0101 174.5624 185 G 3.9102 7.4038 105.7391 46.2862 0.0000 174.2415 186 L 3.8401 7.4003 117.6695 54.6967 42.7989 176.4618 187 Y 3.7160 8.0404 115.6503 60.8483 35.1125 170.3634 188 E 4.1440 8.2377 122.2901 57.0421 29.8560 175.4948 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 S 8.19 4.62 0.00 4.09 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 2 K 9.23 4.27 0.00 1.67 1.63 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.51 7.81 3 K 10.01 4.98 0.00 1.50 1.47 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.60 1.37 7.81 4 I 9.06 4.31 1.13 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.26 -0.96 0.00 0.00 5 G 8.41 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 6 I 8.16 4.39 1.40 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 0.35 0.02 1.02 0.00 0.00 7 F 9.33 4.81 0.00 2.62 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 8 G 8.96 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 0.00 0.00 0.00 0.00 9 G 7.76 3.22 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 0.00 0.00 0.00 0.00 10 T 8.13 4.00 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 1.25 0.00 0.00 11 F 7.18 3.85 0.00 3.21 2.89 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 12 D 7.56 5.04 0.00 2.94 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 13 P 0.00 5.13 0.00 2.38 2.45 0.00 3.34 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 14 P 0.00 4.66 0.00 2.05 1.95 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.23 0.00 15 H 8.45 5.11 0.00 3.41 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 9.12 4.66 0.00 2.97 3.28 0.00 0.00 7.34 8.42 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 17 G 7.93 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 0.00 0.00 0.00 0.00 18 H 8.23 4.69 0.00 3.60 3.61 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.20 4.39 0.00 2.06 2.05 1.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.51 4.11 0.00 2.05 2.14 1.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 21 M 8.37 4.05 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.32 0.00 22 A 8.36 3.84 1.22 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 0.00 0.00 0.00 23 N 8.86 4.67 0.00 3.31 3.02 0.00 0.00 7.29 8.12 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 24 E 8.55 4.11 0.00 2.25 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 2.66 2.54 0.00 25 V 8.04 3.52 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 0.86 0.00 0.00 0.86 0.00 0.00 26 L 8.35 3.89 0.00 2.03 2.12 1.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.23 3.97 0.00 3.17 3.09 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 0.00 0.00 0.00 28 Q 8.43 3.81 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.64 0.00 0.00 0.00 0.00 0.00 2.55 2.70 0.00 29 A 7.85 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.49 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 0.00 0.00 0.00 31 L 7.72 4.21 0.00 1.46 1.52 0.62 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.45 4.70 0.00 2.59 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 33 E 7.78 5.11 0.00 1.80 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 2.42 2.39 0.00 34 I 9.05 4.78 1.95 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.57 0.62 0.00 0.00 35 W 9.40 5.50 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.68 4.31 0.00 2.66 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 M 9.18 5.33 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 38 P 0.00 5.16 0.00 2.01 2.16 0.00 3.78 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 2.01 2.04 0.00 39 N 9.01 4.80 0.00 2.80 2.87 0.00 0.00 6.71 7.80 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 40 Q 8.91 4.34 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 5.75 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 41 I 7.76 3.18 1.89 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 1.43 0.53 0.92 0.00 0.00 *51 T 8.08 4.20 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 1.24 0.00 0.00 52 D 8.56 4.53 0.00 2.79 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 53 S 8.88 4.14 0.00 3.92 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.42 4.00 0.00 3.11 3.03 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 55 H 8.14 4.23 0.00 3.45 3.45 0.00 5.98 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.83 3.97 0.00 1.99 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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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.54 5.00 1.52 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 0.00 108 D 8.50 4.36 0.00 2.55 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 0.00 109 M 8.05 4.35 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 110 I 7.46 4.77 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 1.15 0.00 0.00 111 E 8.97 3.97 0.00 2.05 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 2.34 2.15 0.00 112 Y 8.09 5.30 0.00 2.97 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.33 4.71 0.00 1.75 1.50 1.11 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.38 0.00 2.39 2.25 0.00 3.85 0.00 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0.00 0.00 0.00 136 F 7.67 4.18 0.00 2.95 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 0.00 137 H 8.02 4.41 0.00 2.96 3.04 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.84 4.53 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.95 0.00 0.00 139 E 9.02 4.89 0.00 2.08 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 2.23 2.21 0.00 140 T 8.24 4.70 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 141 P 0.00 4.42 0.00 2.07 2.15 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.84 0.00 142 Y 7.44 4.51 0.00 3.06 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 0.00 143 P 0.00 4.67 0.00 2.10 2.07 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 144 L 7.48 4.37 0.00 1.52 1.44 0.77 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.14 4.51 0.00 1.82 1.49 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 146 F 9.00 5.36 0.00 2.94 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 0.00 147 A 9.48 4.83 1.24 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 0.00 0.00 148 D 9.65 4.87 0.00 2.58 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.51 4.24 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 1.03 0.00 0.00 0.97 0.00 0.00 150 P 0.00 4.41 0.00 2.08 1.97 0.00 3.79 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 2.04 2.10 0.00 151 E 8.54 4.03 0.00 1.91 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 2.30 2.41 0.00 152 F 8.36 4.77 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.82 4.40 0.00 2.03 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 2.29 2.30 0.00 154 V 7.02 4.34 1.53 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 -0.19 0.00 0.00 0.55 0.00 0.00 155 S 7.91 4.57 0.00 3.96 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.56 4.14 0.00 3.89 4.09 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 0.00 0.00 0.00 157 T 7.90 3.78 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 158 M 7.77 3.96 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 159 I 7.77 3.60 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.74 0.94 0.00 0.00 160 R 8.24 3.69 0.00 1.82 1.80 0.00 2.99 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.54 0.00 161 E 8.12 3.99 0.00 2.13 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 2.44 2.49 0.00 162 R 7.93 3.88 0.00 1.80 1.94 0.00 3.00 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 163 F 8.24 4.28 0.00 3.35 3.14 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 0.00 164 K 8.25 4.11 0.00 1.85 2.07 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.50 1.50 7.81 165 S 8.04 4.56 0.00 4.07 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 0.00 166 K 7.50 3.92 0.00 1.91 1.99 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.57 7.81 167 K 8.22 4.38 0.00 1.63 1.69 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.39 7.81 168 P 0.00 4.40 0.00 2.03 1.98 0.00 3.59 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 2.03 2.07 0.00 169 T 7.99 4.44 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 0.29 0.00 0.00 170 D 7.84 4.24 0.00 2.51 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 0.00 0.00 0.00 171 Y 8.12 3.87 0.00 3.24 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 0.00 172 L 7.91 4.67 0.00 1.84 1.60 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 173 I 7.29 5.01 1.98 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.72 0.99 0.00 0.00 174 P 0.00 4.44 0.00 2.20 2.03 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.36 0.00 175 D 8.74 4.42 0.00 2.68 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 0.00 176 K 8.02 4.27 0.00 1.79 1.86 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.50 7.81 177 V 7.63 3.65 2.32 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 1.15 0.00 0.00 0.97 0.00 0.00 178 K 8.17 4.20 0.00 2.05 2.08 0.00 1.73 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.76 7.81 179 K 8.62 3.94 0.00 1.92 2.02 0.00 1.71 0.00 0.00 1.61 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.47 7.81 180 Y 8.01 3.97 0.00 3.23 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 0.00 181 V 8.04 3.40 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 -0.05 0.00 0.00 0.97 0.00 0.00 182 E 8.10 3.88 0.00 2.04 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 2.41 2.64 0.00 183 E 7.69 4.17 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.12 0.00 184 N 7.38 4.54 0.00 2.32 2.43 0.00 0.00 6.97 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 0.00 185 G 7.40 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 0.00 186 L 7.40 3.84 0.00 1.00 0.43 0.61 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 8.04 3.72 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 8.24 4.14 0.00 2.12 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 2.26 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.