NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4275 8.1927 115.4118 58.1441 64.4923 174.2976 3 Q 3.8821 8.4113 122.4674 57.9610 28.9582 176.9565 4 S 4.0738 8.7586 117.4635 61.9746 63.3278 175.6465 5 N 4.3026 7.9172 118.7804 56.1726 38.2160 177.3346 6 R 3.8670 7.4242 119.1341 59.6489 30.1073 178.4107 7 E 3.8735 8.1649 118.1626 59.2084 29.3423 179.2793 8 L 3.9245 7.7913 118.9508 57.7803 41.6925 179.5787 9 V 3.5445 7.9774 118.3918 66.1761 31.3879 178.1462 10 V 2.8092 7.6957 117.8370 65.6262 31.1463 177.4603 11 D 4.1296 8.0231 117.7115 57.2458 41.1499 177.9229 12 F 4.0306 8.3846 121.2935 61.4185 39.3509 177.0652 13 L 4.1729 8.4877 118.9969 57.8079 41.3097 179.5804 14 S 4.2480 8.3290 115.5746 61.8276 62.8245 175.8900 15 Y 4.2103 8.0884 122.0376 61.0293 38.3143 178.4778 16 K 3.9420 7.5063 119.1085 58.6156 32.2718 179.1984 17 L 4.2756 8.2296 119.7871 57.8623 41.6855 179.5708 18 S 4.8452 8.2466 115.7597 61.0961 62.5949 176.3722 19 Q 3.9504 8.0163 121.0318 57.4368 28.1047 177.5793 20 K 4.3868 7.9604 117.6935 55.5798 32.8838 176.7376 21 G 3.7016 7.9470 107.8525 45.2437 0.0000 172.7606 22 Y 4.9934 7.2809 117.0285 55.9650 40.7188 174.4615 23 S 5.0379 8.2810 114.0987 56.2562 65.9876 174.1928 24 W 4.2220 9.1144 133.1978 60.4744 30.9357 175.2417 25 S 4.5308 7.6466 110.6805 57.3798 65.1425 175.2496 26 Q 3.8555 8.6125 120.6885 59.4256 29.1589 177.5853 *83 M 4.3801 8.0014 116.0784 55.3283 34.1563 177.5795 84 A 4.0198 8.0008 119.6548 54.9200 18.4231 179.6073 85 A 4.0004 8.0047 119.6321 55.2324 18.3697 180.0479 86 V 3.6498 8.1480 117.0954 66.0910 31.5397 178.3665 87 K 3.7799 8.1671 118.3774 59.4614 31.7827 179.1357 88 Q 3.9411 8.1930 119.5648 59.0215 29.0219 178.0480 89 A 3.9861 8.0765 121.8400 55.0819 18.3812 179.2716 90 L 4.0652 8.3293 119.1589 58.4857 42.1031 179.3335 91 R 3.9072 8.2819 118.2712 59.4727 30.0097 178.9899 92 E 4.0381 8.6148 118.3490 59.2314 29.4737 179.2255 93 A 4.2713 8.8636 121.4351 55.0531 18.3816 179.8015 94 G 3.6795 8.4902 104.5685 48.1852 0.0000 175.5311 95 D 4.4511 8.1646 121.6680 57.1520 40.8789 178.6623 96 E 4.0504 8.3949 119.8046 59.0439 29.6147 178.5922 97 F 4.1490 9.0095 121.1585 61.5630 39.6810 177.0996 98 E 4.2354 8.8867 118.3990 59.2230 28.7196 179.1779 99 L 4.0683 8.1334 120.7429 58.1141 41.9986 178.9249 100 R 4.0916 7.9370 116.4306 58.3474 30.3513 177.6680 101 Y 4.2116 7.8787 120.1414 59.9899 38.8898 177.3284 102 R 4.3354 8.2086 116.9000 58.9418 29.6854 178.6905 103 R 3.9550 7.7466 116.3877 57.6788 30.2043 176.8594 104 A 4.2460 7.1881 118.1065 51.6457 20.9019 175.2178 105 F 4.6739 7.7255 112.5676 56.1026 42.9088 173.2816 106 S 4.5241 9.1898 116.2657 58.6455 63.6720 174.5694 107 D 4.2581 8.1306 122.5199 52.2079 38.8166 176.2362 108 L 4.0554 8.4874 125.0936 57.7411 42.4408 178.5842 109 T 3.8331 7.7628 113.6765 62.9351 65.8528 175.5404 110 S 4.1808 5.8100 118.0407 59.4364 62.6230 171.2302 111 Q 4.7912 8.1001 126.7785 57.1506 36.9800 175.2005 112 L 4.0856 7.6774 117.7301 54.8170 42.4632 176.7476 113 H 4.7390 8.5096 118.9958 54.7010 28.7826 174.7970 114 I 4.5226 8.1389 125.7448 60.0446 38.8840 175.5968 115 T 4.7865 7.9928 112.3479 59.3578 71.7751 173.0771 116 P 4.2943 0.0000 0.0000 65.5775 31.4973 177.9384 117 G 3.8719 8.1387 105.6831 47.0588 0.0000 174.7905 118 T 4.4279 7.9524 109.0550 61.6591 69.4499 176.2761 119 A 4.1360 8.2537 125.0491 55.7670 18.4021 178.8132 120 Y 2.8791 7.8859 117.2085 60.5700 38.7701 177.9303 121 Q 3.8927 8.0618 119.8575 59.2092 29.1625 178.4505 122 S 4.0620 7.8295 116.0103 61.5826 62.8793 175.8687 123 F 4.2775 8.3715 123.5777 61.7485 38.9314 176.6877 124 E 3.6041 8.2383 118.6991 59.3599 29.4752 178.9630 125 Q 3.8509 7.9045 117.8585 58.8766 28.6408 178.9658 126 V 3.2611 7.5248 119.1835 65.9309 31.0975 178.3315 127 V 3.3262 7.4686 118.0784 65.7025 31.1960 177.7759 128 N 4.4859 8.2734 116.8469 55.8870 38.1898 176.6290 129 E 4.0439 7.7596 118.9986 57.9992 29.8252 177.8570 130 L 3.8588 7.1655 119.8264 56.9291 42.4511 177.4493 131 F 5.0752 7.5171 115.3239 55.8973 39.8782 177.0884 132 R 3.9426 7.6445 119.4371 58.7375 30.1158 177.2677 133 D 4.8700 8.0389 116.0940 53.0832 40.1504 175.2223 134 G 4.1873 7.2345 105.2378 44.9542 0.0000 173.7924 135 V 4.3297 7.6643 119.2910 60.4190 34.4699 174.8055 136 N 4.1304 7.4302 121.4840 50.3520 40.9938 175.5504 137 W 4.6298 8.7918 120.9970 60.1464 29.0792 178.8773 138 G 3.9550 8.6014 105.0677 48.1083 0.0000 175.7818 139 R 3.8618 8.5500 120.4704 58.9187 30.0267 179.2297 140 I 4.0229 7.9168 119.7569 64.4051 37.1357 178.5530 141 V 3.7196 8.5761 119.2530 66.1220 31.3894 177.8004 142 A 2.7607 8.0948 120.6467 54.6511 18.0986 179.3507 143 F 4.1780 8.4695 119.3073 61.6056 39.5217 177.2426 144 F 3.7531 8.5815 117.2471 60.8346 38.8225 177.9975 145 S 4.1043 8.4840 114.9192 61.2250 62.4968 176.6554 146 F 4.3086 8.1901 123.6740 61.2943 39.1962 177.2488 147 G 3.4687 7.8761 105.4372 47.6677 0.0000 175.6060 148 G 3.5868 8.1447 107.9604 47.6508 0.0000 175.6859 149 A 4.0081 8.0042 123.3393 54.4473 18.3269 179.5038 150 L 3.7806 7.5806 119.1620 58.3904 42.1018 179.0732 151 C 4.0604 7.9444 116.7866 62.6981 28.0727 176.1708 152 V 3.5834 7.8118 119.8547 65.9121 30.9738 177.9640 153 E 4.0702 8.2492 118.2910 59.4961 29.3129 179.2205 154 S 4.1016 8.0072 115.1574 61.9205 62.9535 177.2246 155 V 3.5864 7.8546 120.5538 65.8440 31.0032 177.6668 156 D 4.4037 7.9982 117.9497 57.2956 40.7733 178.1884 157 K 4.3108 8.0583 115.8473 55.3699 32.6632 176.7128 158 E 3.8367 8.0619 117.3526 58.3359 27.6385 174.4597 159 M 4.8546 8.3461 112.8944 53.7622 33.5427 177.9255 160 Q 3.9038 8.2808 121.2275 59.8119 29.5410 177.6544 161 V 3.6006 7.8579 112.4396 64.2148 31.4052 178.1505 162 L 3.7319 8.1672 119.0510 56.9413 41.4381 179.2299 163 V 3.4185 7.7155 119.0751 66.1931 31.4969 178.3277 164 S 4.0348 7.7848 112.9494 61.0010 62.7402 176.5442 165 R 3.2201 6.8094 120.2282 58.9852 29.7431 178.7025 166 I 2.8937 7.0605 119.5384 64.0074 36.8905 178.3157 167 A 3.7914 7.4685 120.9536 55.1010 18.2594 179.5870 168 A 3.8779 7.4912 119.1299 55.1075 18.3871 179.9171 169 W 4.5201 7.8797 117.7531 60.0386 28.9390 178.7970 170 M 4.4503 8.1983 118.5582 58.4559 31.4003 178.5301 171 A 4.1225 8.3214 121.1752 55.5523 18.4782 179.6419 172 T 3.8690 8.5871 114.4775 67.2269 68.5775 176.1173 173 Y 3.9944 8.5808 121.2632 60.6995 38.7408 178.4759 174 L 3.9166 8.4317 119.9670 57.7915 41.6068 179.0544 175 N 4.3370 8.1307 115.0673 56.5516 38.6065 176.8524 176 D 4.3538 8.1129 118.9188 56.5275 41.2435 177.6647 177 H 4.5373 7.6305 113.3340 55.4702 30.0562 175.5577 178 L 4.3704 7.2657 119.6335 54.9391 43.5665 177.6551 179 E 3.9337 7.9891 119.5955 59.0682 29.3606 176.9571 180 P 4.1903 0.0000 0.0000 65.4958 31.4135 178.1505 181 W 3.8944 8.0856 126.1122 60.5735 30.6498 177.6438 182 I 3.4288 8.2512 120.0842 64.3778 36.6636 178.1838 183 Q 3.8654 8.5916 120.3934 59.2988 28.7810 177.9460 184 E 3.9033 8.0871 118.8540 58.3801 29.5106 177.4656 185 N 4.5139 7.2203 114.5179 52.6371 38.9291 175.5965 186 G 4.3908 7.2685 107.7456 45.2495 0.0000 175.2110 187 G 4.0484 8.9001 111.3451 44.1964 0.0000 174.7659 188 W 4.4292 8.6861 117.3124 59.7654 28.7568 178.5017 189 D 4.5187 8.3479 118.7638 57.5317 40.3128 178.6105 190 T 4.0894 8.1729 116.4790 66.4499 68.4891 176.3557 191 F 3.3928 7.8611 122.1112 61.1288 39.1504 177.0877 192 V 3.4940 8.1694 118.0225 66.1865 31.0967 177.8282 193 E 3.8937 7.9919 117.0214 59.2054 29.3401 178.8295 194 L 4.0759 7.6489 117.6191 56.1665 41.9779 177.0110 195 Y 4.4319 7.4862 112.6244 56.7425 40.0794 175.8997 196 G 3.6309 8.0974 109.6369 46.2217 0.0000 173.0939 197 N 4.1563 8.5953 115.5798 54.6726 36.1224 174.3825 198 N 4.6006 8.3260 118.5141 53.5122 39.3155 175.0477 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 S 8.19 4.43 0.00 4.01 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 3 Q 8.41 3.88 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 4 S 8.76 4.07 0.00 3.89 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 5 N 7.92 4.30 0.00 2.68 2.84 0.00 0.00 6.72 9.01 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 6 R 7.42 3.87 0.00 1.94 2.20 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 7 E 8.16 3.87 0.00 2.28 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 2.27 2.31 0.00 8 L 7.79 3.92 0.00 1.83 1.68 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.98 3.54 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 1.06 0.00 0.00 0.94 0.00 0.00 10 V 7.70 2.81 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 -0.07 0.00 0.00 0.59 0.00 0.00 11 D 8.02 4.13 0.00 2.83 2.76 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 12 F 8.38 4.03 0.00 3.12 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 13 L 8.49 4.17 0.00 1.71 1.95 1.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.33 4.25 0.00 3.95 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 15 Y 8.09 4.21 0.00 2.85 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 16 K 7.51 3.94 0.00 1.71 1.79 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.65 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.89 1.32 7.81 17 L 8.23 4.28 0.00 1.99 1.90 1.21 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.25 4.85 0.00 4.03 4.16 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 0.00 0.00 0.00 0.00 19 Q 8.02 3.95 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 20 K 7.96 4.39 0.00 1.60 1.42 0.00 1.61 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.55 7.81 21 G 7.95 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 22 Y 7.28 4.99 0.00 3.14 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 23 S 8.28 5.04 0.00 4.08 3.85 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 0.00 0.00 0.00 24 W 9.11 4.22 0.00 3.48 3.18 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 25 S 7.65 4.53 0.00 4.06 4.06 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 0.00 0.00 0.00 26 Q 8.61 3.86 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.52 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 *83 M 8.00 4.38 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 84 A 8.00 4.02 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.00 4.00 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 86 V 8.15 3.65 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 0.73 0.00 0.00 1.08 0.00 0.00 87 K 8.17 3.78 0.00 1.96 1.79 0.00 1.69 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.65 7.81 88 Q 8.19 3.94 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 89 A 8.08 3.99 1.43 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 0.00 0.00 90 L 8.33 4.07 0.00 1.61 1.59 0.53 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.28 3.91 0.00 2.06 1.98 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 92 E 8.61 4.04 0.00 2.18 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 0.00 2.36 2.42 0.00 93 A 8.86 4.27 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.49 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.16 4.45 0.00 2.94 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 96 E 8.39 4.05 0.00 2.20 2.25 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 2.43 2.49 0.00 97 F 9.01 4.15 0.00 3.27 3.32 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 98 E 8.89 4.24 0.00 2.36 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 2.48 2.70 0.00 99 L 8.13 4.07 0.00 1.93 1.88 0.96 0.82 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 0.00 100 R 7.94 4.09 0.00 1.91 1.94 0.00 3.51 0.00 0.00 3.38 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 101 Y 7.88 4.21 0.00 2.92 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 0.00 102 R 8.21 4.34 0.00 2.23 2.34 0.00 2.88 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.72 0.00 103 R 7.75 3.96 0.00 1.81 1.99 0.00 3.10 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 104 A 7.19 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 7.73 4.67 0.00 2.38 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 0.00 106 S 9.19 4.52 0.00 4.05 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 0.00 107 D 8.13 4.26 0.00 2.98 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 0.00 108 L 8.49 4.06 0.00 1.55 1.05 0.78 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.76 3.83 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 1.33 0.00 0.00 110 S 5.81 4.18 0.00 4.13 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 0.00 111 Q 8.10 4.79 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 112 L 7.68 4.09 0.00 1.68 1.63 1.09 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.51 4.74 0.00 3.18 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.14 4.52 1.91 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 1.64 0.83 0.98 0.00 0.00 115 T 7.99 4.79 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 1.25 0.00 0.00 116 P 0.00 4.29 0.00 2.10 2.22 0.00 3.70 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 2.05 2.13 0.00 117 G 8.14 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 0.00 0.00 0.00 118 T 7.95 4.43 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 1.25 0.00 0.00 119 A 8.25 4.14 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 0.00 0.00 0.00 0.00 0.00 120 Y 7.89 2.88 0.00 2.02 2.65 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 0.00 121 Q 8.06 3.89 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 122 S 7.83 4.06 0.00 4.09 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 0.00 123 F 8.37 4.28 0.00 3.26 2.99 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 0.00 124 E 8.24 3.60 0.00 1.31 1.62 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 2.28 2.30 0.00 125 Q 7.90 3.85 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 126 V 7.52 3.26 1.56 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 -0.23 0.00 0.00 0.69 0.00 0.00 127 V 7.47 3.33 1.42 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 0.16 0.00 0.00 0.10 0.00 0.00 128 N 8.27 4.49 0.00 2.77 2.82 0.00 0.00 6.57 7.94 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 0.00 129 E 7.76 4.04 0.00 1.87 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 2.21 2.22 0.00 130 L 7.17 3.86 0.00 1.30 1.33 0.58 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.52 5.08 0.00 3.09 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 0.00 132 R 7.64 3.94 0.00 1.98 1.96 0.00 3.20 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 133 D 8.04 4.87 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 7.23 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 0.00 0.00 0.00 0.00 135 V 7.66 4.33 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 0.00 0.00 -0.41 0.00 0.00 0.75 0.00 0.00 136 N 7.43 4.13 0.00 3.08 2.84 0.00 0.00 6.19 8.88 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 0.00 137 W 8.79 4.63 0.00 3.83 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 0.00 138 G 8.60 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 0.00 139 R 8.55 3.86 0.00 1.83 1.44 0.00 3.02 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.76 0.00 140 I 7.92 4.02 2.21 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.90 1.42 0.00 0.00 141 V 8.58 3.72 2.28 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 0.93 0.00 0.00 1.00 0.00 0.00 142 A 8.09 2.76 1.38 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 0.00 0.00 143 F 8.47 4.18 0.00 3.27 3.41 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 0.00 144 F 8.58 3.75 0.00 3.29 3.07 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 0.00 145 S 8.48 4.10 0.00 3.38 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 0.00 146 F 8.19 4.31 0.00 3.03 3.13 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 0.00 147 G 7.88 3.47 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 0.00 148 G 8.14 3.59 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 0.00 0.00 0.00 149 A 8.00 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.58 3.78 0.00 1.56 1.51 0.84 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 151 C 7.94 4.06 0.00 3.09 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 0.00 152 V 7.81 3.58 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 1.02 0.00 0.00 0.90 0.00 0.00 153 E 8.25 4.07 0.00 2.26 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 2.37 2.50 0.00 154 S 8.01 4.10 0.00 3.98 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 0.00 155 V 7.85 3.59 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 1.01 0.00 0.00 0.89 0.00 0.00 156 D 8.00 4.40 0.00 2.88 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 0.00 157 K 8.06 4.31 0.00 1.71 1.84 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.63 7.81 158 E 8.06 3.84 0.00 2.11 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 2.24 2.25 0.00 159 M 8.35 4.85 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 160 Q 8.28 3.90 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 161 V 7.86 3.60 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 0.82 0.00 0.00 0.91 0.00 0.00 162 L 8.17 3.73 0.00 1.80 1.62 1.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.72 3.42 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 0.94 0.00 0.00 0.84 0.00 0.00 164 S 7.78 4.03 0.00 3.95 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 0.00 165 R 6.81 3.22 0.00 1.12 0.85 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.65 0.00 166 I 7.06 2.89 1.70 0.00 0.00 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 1.33 0.42 0.69 0.00 0.00 167 A 7.47 3.79 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 0.00 168 A 7.49 3.88 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 0.00 169 W 7.88 4.52 0.00 2.74 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 0.00 170 M 8.20 4.45 0.00 1.87 2.15 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.30 0.00 171 A 8.32 4.12 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 0.00 172 T 8.59 3.87 4.66 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 1.39 0.00 0.00 173 Y 8.58 3.99 0.00 3.53 3.35 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 0.00 174 L 8.43 3.92 0.00 2.21 1.86 1.19 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.13 4.34 0.00 2.86 2.89 0.00 0.00 7.14 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 0.00 176 D 8.11 4.35 0.00 2.21 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 0.00 177 H 7.63 4.54 0.00 1.69 2.70 0.00 5.60 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.27 4.37 0.00 1.65 1.51 -0.07 0.08 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 0.00 179 E 7.99 3.93 0.00 2.24 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 2.35 2.46 0.00 180 P 0.00 4.19 0.00 2.18 2.08 0.00 3.52 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 181 W 8.09 3.89 0.00 3.27 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 0.00 182 I 8.25 3.43 2.00 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 1.14 0.75 0.73 0.00 0.00 183 Q 8.59 3.87 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 184 E 8.09 3.90 0.00 1.89 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 2.06 2.21 0.00 185 N 7.22 4.51 0.00 1.44 1.94 0.00 0.00 7.28 7.28 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 0.00 186 G 7.27 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 G 8.90 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 0.00 188 W 8.69 4.43 0.00 3.55 3.39 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 0.00 189 D 8.35 4.52 0.00 2.78 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 0.00 190 T 8.17 4.09 4.56 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 1.35 0.00 0.00 191 F 7.86 3.39 0.00 1.51 3.07 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 0.00 192 V 8.17 3.49 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 1.08 0.00 0.00 1.14 0.00 0.00 193 E 7.99 3.89 0.00 2.10 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 2.34 2.63 0.00 194 L 7.65 4.08 0.00 1.55 1.17 1.08 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.49 4.43 0.00 2.01 2.68 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 0.00 0.00 0.00 0.00 196 G 8.10 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 0.00 197 N 8.60 4.16 0.00 2.80 2.83 0.00 0.00 6.74 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 N 8.33 4.60 0.00 2.91 2.69 0.00 0.00 6.67 7.18 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 * Residues marked with a * may have inaccurate shift predictions.