NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4383 8.2644 123.6028 51.8946 20.0593 175.6609 3 K 4.9015 8.6292 122.3217 54.5818 35.5908 173.1039 4 H 5.5721 9.5548 123.7893 54.1491 34.0023 171.7155 5 A 5.0810 8.8190 120.9762 50.4325 22.7950 174.9820 6 I 4.8263 8.9917 122.6340 59.6681 39.9423 174.6590 7 L 4.9791 8.7679 127.4586 53.2221 43.7628 175.6154 8 V 4.7390 8.6574 125.1347 60.7514 33.2875 174.4121 9 I 4.7003 8.5246 129.6568 60.3263 39.3452 171.3112 10 D 4.2885 8.8694 135.0000 53.7300 41.4142 173.5782 *12 L 4.1506 8.0096 122.4454 54.1734 42.9676 177.5575 13 N 3.9578 8.0763 117.2711 56.4346 38.6303 177.8170 14 D 3.9776 7.4840 118.0434 56.4402 41.0821 177.8716 15 F 5.7462 7.8364 115.7181 56.5935 40.3484 175.4643 16 V 4.5918 7.7136 119.6651 61.3847 34.0934 174.2768 17 G 4.2250 9.0597 115.4462 44.5696 0.0000 175.2573 18 E 3.9468 9.0407 119.0405 58.8256 29.8477 179.9304 19 K 4.6066 7.8812 117.8817 53.9657 32.2455 177.9715 20 A 4.3628 7.5965 123.8014 52.1183 18.7605 177.3089 21 P 4.4379 0.0000 0.0000 65.1168 32.2979 176.7520 22 L 4.9681 7.7136 116.5409 52.8750 41.3539 176.3527 23 R 4.4448 8.0827 119.9724 56.5531 31.6442 175.7126 24 C 4.3998 9.1015 126.6765 57.1111 32.3326 172.5793 25 P 4.1175 0.0000 0.0000 65.5493 31.2553 179.1109 26 G 3.7017 7.5859 103.6439 46.9576 0.0000 175.9249 27 G 3.6229 8.8678 109.8644 47.7421 0.0000 175.6179 28 E 4.0957 7.8698 119.9264 59.3094 29.2769 179.3035 29 T 3.8992 7.5466 110.0462 63.9500 69.0253 175.4751 30 I 4.1556 7.2645 112.3693 61.0912 38.1995 177.5339 31 I 3.6344 7.5212 122.8022 64.1840 36.9039 176.3762 32 P 4.4667 0.0000 0.0000 65.2413 31.3193 178.4355 33 D 4.3907 8.0204 117.2194 57.2021 40.6521 178.7386 34 L 4.0173 7.8574 119.5763 57.9746 41.1191 179.5383 35 Q 3.6401 7.8110 117.6093 58.5681 28.4673 178.8750 36 K 4.0256 7.9882 120.7491 59.6118 32.2081 178.9196 37 I 3.9615 7.8629 120.0093 64.4942 37.0507 178.4014 38 F 4.3305 9.2747 121.6517 61.4325 38.7942 178.2378 39 E 4.1385 8.8106 118.2542 60.7782 29.2777 180.7283 40 W 4.4134 8.4232 128.6730 60.4077 30.9487 178.0188 41 V 3.0259 7.9639 116.8443 65.9539 31.1027 177.9105 42 R 4.1992 8.2319 116.8196 57.1210 29.8718 176.6631 43 G 4.0092 8.2579 107.0722 44.3158 0.0000 173.0568 44 R 4.5861 8.9111 133.3026 57.4552 28.2408 175.8367 *47 D 4.3094 8.7063 111.1639 53.2898 42.1639 177.3593 48 D 4.9434 7.6792 118.4271 54.7013 42.4479 177.1212 49 I 5.1674 7.3022 118.6460 59.8885 41.0897 174.2958 50 H 4.9831 8.9376 122.1359 53.9572 32.7970 172.3683 51 L 4.9754 8.3939 120.9022 53.0121 43.5585 175.8812 52 V 4.3221 8.7233 124.2573 61.2899 34.3145 173.6715 53 H 5.2561 9.0208 125.4684 54.3020 30.9157 173.7175 54 I 5.0837 9.2130 124.9203 59.4425 39.9186 174.5279 55 Q 4.7061 8.8609 125.0893 53.8056 31.2416 174.5555 56 E 4.4986 8.3897 124.8074 56.5101 30.3768 176.9312 57 A 4.5765 9.0468 128.9226 51.0122 20.3595 175.3234 58 H 4.4535 9.2118 119.4828 55.4196 30.8796 175.0553 59 R 4.4278 8.4300 121.6245 55.2071 31.1221 176.0997 60 K 3.7813 8.5440 124.3387 55.4077 30.7696 175.5586 *70 L 4.4012 8.1159 124.4475 53.3107 43.1901 174.5909 71 H 5.0782 7.4155 109.7355 54.8163 31.7166 173.1775 72 A 4.1786 8.6244 120.4959 52.0691 19.4502 176.7502 73 V 4.8132 8.2288 123.3329 61.1494 34.5107 175.9529 74 K 4.1125 8.8237 129.2523 56.0302 31.9501 177.2337 75 G 4.0290 8.8860 111.5117 45.2974 0.0000 174.2389 76 T 4.3865 7.2354 109.9902 60.4926 71.5799 175.3117 77 W 4.4708 8.7789 119.4706 59.7685 28.1892 178.5996 78 G 3.3275 7.6038 107.3797 46.7502 0.0000 175.4482 79 S 3.8853 7.6479 114.3931 59.8560 62.8225 174.1769 80 D 4.3692 7.0726 120.8470 53.3271 41.7435 175.4162 81 F 4.5475 8.2928 122.3911 57.0229 39.6644 175.6859 82 I 4.4501 8.1753 116.2253 59.7000 38.2525 175.3698 83 P 4.4236 0.0000 0.0000 65.8146 31.4591 177.9587 84 E 4.1986 8.3435 116.7267 58.7511 29.5370 177.1304 85 L 4.8222 7.4759 118.1626 54.2287 42.7553 176.3180 86 Y 3.9992 8.2058 118.3640 56.9661 39.6164 173.3072 87 P 4.5290 0.0000 0.0000 62.6789 31.6957 176.4384 88 Q 4.6415 12.0000 120.1885 54.9722 33.0219 176.9770 89 E 3.7212 8.5139 118.8789 58.0294 28.6373 177.8999 90 D 4.8059 8.6138 113.1035 53.5632 38.2008 174.4476 91 E 4.7459 7.5987 117.7030 54.2080 32.6407 177.1099 92 Y 4.0528 8.6454 126.3198 57.7225 40.0466 174.2897 93 I 4.8391 7.4565 126.6517 59.3774 39.9360 174.9531 94 V 4.3995 8.6618 126.3629 60.9171 34.2795 173.9856 95 Q 5.2231 8.6908 125.6075 54.3109 30.8629 174.8478 96 K 4.7524 8.8045 120.2474 55.3746 36.1141 176.8061 97 R 4.3095 8.7598 118.3972 55.9370 31.4915 175.0125 98 R 4.7074 7.4372 115.6984 54.3023 34.2748 174.8898 99 H 4.3422 8.7536 115.0277 59.2378 29.0252 176.6615 100 S 4.4950 7.9667 113.7413 57.3640 63.0390 175.0299 101 G 3.6060 8.7278 115.9710 48.5104 0.0000 175.1287 102 F 4.1223 8.3730 118.3952 59.6581 39.1939 175.0581 103 A 4.2672 7.7618 124.0031 52.6728 18.0365 176.4455 104 H 4.1778 8.9128 119.3017 57.2620 26.1611 174.4602 105 T 4.6884 7.6022 109.2799 60.0452 71.4113 173.7615 106 D 4.9084 8.3359 118.0822 53.4524 39.7067 177.7789 107 L 3.8761 7.8295 124.4381 58.8639 42.0178 178.5032 108 D 4.6967 8.2474 117.5045 57.3288 41.2061 177.7873 109 L 4.0067 8.0030 120.4890 58.2731 42.2744 178.0951 110 Y 4.1515 7.9200 120.7786 60.1137 38.6782 178.0856 111 L 3.9901 8.1177 119.9063 57.7631 41.7188 179.7068 112 K 4.0741 8.1651 118.3881 59.5395 31.8050 179.2643 113 E 3.9261 8.3015 118.9349 59.0697 29.1721 178.3546 114 E 4.2850 7.6334 115.2921 55.2900 29.7547 176.6658 115 G 3.9261 7.6047 106.8505 46.3788 0.0000 173.8585 116 I 4.0454 7.7780 121.1934 60.8386 37.7477 175.7347 117 D 5.1333 8.7125 124.1454 53.7803 41.1778 176.0845 118 T 5.1948 7.7981 115.8251 62.1587 73.1201 173.0481 119 V 5.0261 9.4107 119.1697 59.4784 35.5457 174.9930 120 V 4.9114 8.7949 122.6702 60.0513 34.1844 174.2402 121 L 5.1874 9.3917 125.2837 53.5588 43.3480 175.6548 122 T 4.5322 8.9329 111.8252 61.2737 72.8497 172.9555 123 G 4.1742 7.5387 108.0830 44.1910 0.0000 172.8002 124 V 4.8762 7.6556 118.8315 60.8723 34.8017 175.9879 125 W 5.1259 8.3309 124.6756 55.4570 30.9915 177.6622 126 T 3.9325 8.6554 118.6457 66.5817 67.9495 175.8767 127 N 4.7879 8.1651 115.0569 52.6218 39.6889 174.8129 128 V 3.8706 7.9857 117.8072 63.4570 32.1654 177.0485 129 C 4.1945 9.0636 117.4306 62.6837 28.6848 174.7687 130 V 3.6046 7.7058 119.4684 66.0376 31.1947 178.1142 131 R 3.9938 7.6238 118.0008 59.5897 29.9563 178.6502 132 S 4.2180 8.4922 115.3485 61.9566 62.8433 176.8080 133 T 4.1383 8.1199 118.2853 66.5439 68.0827 176.6241 134 A 4.1533 7.9644 122.3482 55.5832 18.4584 179.8085 135 T 3.7349 8.2032 114.2754 66.8776 68.5829 176.6560 136 D 4.1801 8.2864 120.5775 57.1721 40.7924 178.6677 137 A 3.6451 7.8444 121.2804 54.8625 18.3243 179.4506 138 L 4.0380 8.3236 119.0062 58.3383 41.9922 179.1268 139 A 4.0144 7.8038 119.3997 54.4134 18.2709 178.2712 140 N 4.5354 7.4540 112.1003 52.4992 38.8328 175.0820 141 A 3.6401 7.9189 122.3676 53.1050 16.5834 177.5639 142 Y 4.7838 7.6817 115.7060 57.8731 39.8452 176.1612 143 K 4.2932 8.7114 122.2555 56.5112 33.5043 176.1455 144 V 4.9716 8.5072 123.5357 61.1971 34.7146 174.0713 145 I 4.9148 8.7717 127.3079 59.8887 40.8935 174.3623 146 T 4.8078 9.3297 124.0126 61.8587 71.3327 173.6419 147 L 4.6411 8.1169 125.6066 52.9871 43.1274 177.5847 148 S 4.1253 8.8790 120.3345 61.1662 63.0877 175.7197 149 D 4.7236 8.0043 117.4652 53.3385 40.2278 177.4073 150 G 3.7724 8.2714 110.4996 48.0914 0.0000 173.3070 151 T 5.2843 7.4072 106.4799 59.9593 72.2761 173.0740 152 A 4.5069 8.4796 122.3769 51.0291 23.8430 174.8361 153 S 4.1940 7.7708 111.5547 57.3413 65.4522 174.1643 154 K 3.4465 7.7624 120.2519 58.8988 31.9566 177.3049 155 T 4.6020 7.1611 107.9771 60.0625 71.9706 174.0979 156 E 4.0816 8.7661 119.2094 59.1133 30.0642 180.4014 157 E 4.2870 7.5844 113.9059 57.1408 29.1387 178.1947 *159 H 4.5505 8.4319 123.6976 57.6028 31.9789 175.7833 160 E 3.8628 8.1839 118.8477 61.2586 29.4972 180.8652 161 Y 4.5749 8.2618 119.7129 59.5288 38.0287 178.4033 162 G 3.6319 7.7398 107.3906 47.7684 0.0000 175.4579 163 L 3.9767 7.7899 121.5202 57.4848 41.3859 179.1366 164 N 4.8726 7.7278 117.1402 56.1818 39.0863 176.4308 165 D 4.5350 8.3875 120.4149 57.5397 41.0471 178.8344 166 L 3.4128 8.2982 119.6562 57.5966 41.4648 179.7677 167 S 4.0898 8.3510 115.5139 61.2546 62.3956 176.7205 168 I 3.7914 7.5333 122.6543 63.3515 36.9901 176.7089 169 F 4.9368 7.0518 109.8392 56.3554 38.9494 174.2381 170 T 4.7121 7.6334 119.7727 62.4291 71.9229 174.0964 171 K 4.4893 8.3066 126.5508 53.8081 33.6005 176.4299 172 V 5.2236 8.1663 125.4769 60.0676 33.1720 175.0898 *174 T 4.1904 8.2165 119.9472 61.6041 68.5756 174.8387 175 V 3.5579 9.6022 125.0812 66.3480 31.5318 178.1605 176 D 4.2269 7.9687 118.0030 57.4800 40.7002 178.6628 177 Q 4.0331 8.0218 120.4999 59.6362 28.4924 179.0137 *178 Y 3.8782 7.8115 121.0929 62.0796 36.7934 180.2452 179 I 3.4495 7.5444 124.5862 64.5833 36.9281 179.2500 180 Q 4.0196 8.0746 121.2702 60.1336 27.7556 180.2845 181 A 4.1180 7.6243 121.7010 54.7319 18.3176 179.4307 182 W 4.3406 7.8711 115.7306 58.7407 29.1751 176.1486 183 E 4.4048 8.4490 123.1047 56.3755 29.2272 175.5818 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 A 8.26 4.44 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 3 K 8.63 4.90 0.00 1.87 1.68 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.68 7.81 4 H 9.55 5.57 0.00 3.43 3.36 0.00 5.63 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 5 A 8.82 5.08 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 6 I 8.99 4.83 1.95 0.00 0.00 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 1.39 0.78 1.03 0.00 0.00 7 L 8.77 4.98 0.00 1.64 1.59 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.66 4.74 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 1.31 0.00 0.00 1.16 0.00 0.00 9 I 8.52 4.70 2.02 0.00 0.00 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 1.27 0.67 0.95 0.00 0.00 10 D 8.87 4.29 0.00 3.02 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 *12 L 8.01 4.15 0.00 1.44 1.51 0.77 0.12 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 13 N 8.08 3.96 0.00 1.44 1.42 0.00 0.00 7.43 7.61 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 14 D 7.48 3.98 0.00 1.97 1.80 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 15 F 7.84 5.75 0.00 3.08 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 16 V 7.71 4.59 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 0.85 0.00 0.00 1.02 0.00 0.00 17 G 9.06 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 0.00 0.00 0.00 0.00 18 E 9.04 3.95 0.00 2.00 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 19 K 7.88 4.61 0.00 1.75 1.68 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.27 0.98 7.81 20 A 7.60 4.36 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 21 P 0.00 4.44 0.00 2.04 2.16 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 22 L 7.71 4.97 0.00 1.89 1.77 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.08 4.44 0.00 2.02 1.85 0.00 3.37 0.00 0.00 3.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 24 C 9.10 4.40 0.00 2.96 2.87 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 25 P 0.00 4.12 0.00 2.08 2.00 0.00 3.40 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 2.10 2.01 0.00 26 G 7.59 3.70 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 0.00 0.00 0.00 27 G 8.87 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 28 E 7.87 4.10 0.00 2.23 2.23 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 2.43 2.30 0.00 29 T 7.55 3.90 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 1.23 0.00 0.00 30 I 7.26 4.16 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.76 0.99 0.00 0.00 31 I 7.52 3.63 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.33 0.93 0.00 0.00 32 P 0.00 4.47 0.00 2.14 2.08 0.00 3.89 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 2.09 2.01 0.00 33 D 8.02 4.39 0.00 2.71 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 34 L 7.86 4.02 0.00 1.67 1.37 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.81 3.64 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 36 K 7.99 4.03 0.00 1.86 1.94 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 37 I 7.86 3.96 2.22 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.92 1.30 0.00 0.00 38 F 9.27 4.33 0.00 3.13 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 39 E 8.81 4.14 0.00 1.95 1.96 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 2.24 2.19 0.00 40 W 8.42 4.41 0.00 3.32 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 41 V 7.96 3.03 2.03 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 0.68 0.00 0.00 0.86 0.00 0.00 42 R 8.23 4.20 0.00 1.98 1.98 0.00 3.27 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 43 G 8.26 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 44 R 8.91 4.59 0.00 1.53 1.11 0.00 2.26 0.00 0.00 2.55 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.00 0.00 *47 D 8.71 4.31 0.00 2.76 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 48 D 7.68 4.94 0.00 2.32 2.61 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 49 I 7.30 5.17 1.52 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 0.88 0.00 0.00 50 H 8.94 4.98 0.00 3.04 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.39 4.98 0.00 1.26 1.18 -0.06 0.75 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 52 V 8.72 4.32 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 0.93 0.00 0.00 0.79 0.00 0.00 53 H 9.02 5.26 0.00 2.76 2.52 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.00 88 Q 12.00 4.64 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 5.84 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 89 E 8.51 3.72 0.00 2.14 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.85 0.00 90 D 8.61 4.81 0.00 2.69 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 91 E 7.60 4.75 0.00 1.73 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 2.13 2.43 0.00 92 Y 8.65 4.05 0.00 2.65 2.31 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 93 I 7.46 4.84 1.66 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 1.11 0.78 1.06 0.00 0.00 94 V 8.66 4.40 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 1.02 0.00 0.00 0.87 0.00 0.00 95 Q 8.69 5.22 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.54 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 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5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.60 4.69 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 1.39 0.00 0.00 106 D 8.34 4.91 0.00 3.01 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.83 3.88 0.00 1.57 1.35 0.71 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.25 4.70 0.00 3.36 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 0.00 109 L 8.00 4.01 0.00 1.86 1.88 0.95 0.88 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 0.00 110 Y 7.92 4.15 0.00 2.78 2.90 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 0.00 111 L 8.12 3.99 0.00 2.13 1.84 1.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.17 4.07 0.00 2.06 1.88 0.00 2.04 0.00 0.00 1.71 0.00 0.00 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0.00 0.00 1.04 0.00 0.00 121 L 9.39 5.19 0.00 1.71 1.66 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.93 4.53 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 1.31 0.00 0.00 123 G 7.54 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.66 4.88 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 1.06 0.00 0.00 0.90 0.00 0.00 125 W 8.33 5.13 0.00 3.34 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 0.00 126 T 8.66 3.93 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 1.30 0.00 0.00 127 N 8.17 4.79 0.00 2.94 2.85 0.00 0.00 5.76 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 0.00 128 V 7.99 3.87 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 0.66 0.00 0.00 0.69 0.00 0.00 129 C 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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 0.00 138 L 8.32 4.04 0.00 1.88 1.73 0.82 1.36 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 0.00 139 A 7.80 4.01 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 7.45 4.54 0.00 2.73 2.75 0.00 0.00 7.04 7.12 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 0.00 141 A 7.92 3.64 1.20 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 0.00 0.00 142 Y 7.68 4.78 0.00 3.08 2.87 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 0.00 143 K 8.71 4.29 0.00 1.94 1.76 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.43 7.81 144 V 8.51 4.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.13 0.00 0.00 145 I 8.77 4.91 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.83 0.93 0.00 0.00 146 T 9.33 4.81 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 147 L 8.12 4.64 0.00 1.85 1.71 0.96 0.72 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 0.00 148 S 8.88 4.13 0.00 4.00 4.11 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 0.00 149 D 8.00 4.72 0.00 2.93 2.81 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 0.00 150 G 8.27 3.77 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 0.00 0.00 0.00 151 T 7.41 5.28 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 1.33 0.00 0.00 152 A 8.48 4.51 1.08 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 0.00 153 S 7.77 4.19 0.00 3.94 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 0.00 154 K 7.76 3.45 0.00 0.79 1.44 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.17 0.94 7.81 155 T 7.16 4.60 4.31 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 1.12 0.00 0.00 156 E 8.77 4.08 0.00 1.92 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 2.32 1.87 0.00 157 E 7.58 4.29 0.00 2.25 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 2.28 2.44 0.00 *159 H 8.43 4.55 0.00 3.09 3.45 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.18 3.86 0.00 2.02 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 2.24 2.19 0.00 161 Y 8.26 4.57 0.00 3.11 3.25 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 0.00 162 G 7.74 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 0.00 0.00 0.00 163 L 7.79 3.98 0.00 1.84 1.66 0.77 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 164 N 7.73 4.87 0.00 2.78 3.01 0.00 0.00 7.18 8.28 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 0.00 165 D 8.39 4.54 0.00 3.00 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 0.00 166 L 8.30 3.41 0.00 1.63 1.54 0.91 0.81 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 0.00 167 S 8.35 4.09 0.00 3.78 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.53 3.79 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.73 1.04 0.00 0.00 169 F 7.05 4.94 0.00 3.09 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 0.00 170 T 7.63 4.71 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 171 K 8.31 4.49 0.00 1.39 1.68 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 1.23 7.81 172 V 8.17 5.22 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 0.90 0.00 0.00 0.87 0.00 0.00 *174 T 8.22 4.19 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 1.16 0.00 0.00 175 V 9.60 3.56 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.13 0.00 0.00 176 D 7.97 4.23 0.00 2.67 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 0.00 177 Q 8.02 4.03 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 *178 Y 7.81 3.88 0.00 2.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 I 7.54 3.45 1.38 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.61 -1.42 0.00 0.00 180 Q 8.07 4.02 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 181 A 7.62 4.12 1.18 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 0.00 0.00 182 W 7.87 4.34 0.00 3.65 3.37 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 0.00 0.00 0.00 0.00 183 E 8.45 4.40 0.00 2.00 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 2.36 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.