NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2989 8.2544 119.7092 55.3971 31.6881 174.6494 7 L 3.9846 8.3555 122.9705 55.5434 43.2269 174.0544 8 A 5.1853 9.6423 126.8182 50.2457 23.0133 174.5139 9 C 5.1947 8.8735 120.3890 57.6630 34.8420 172.7421 10 Y 4.5990 9.0631 125.6786 57.9084 38.7285 174.9426 11 S 4.8822 9.1081 118.7295 56.6588 66.7437 172.4087 12 D 5.0264 8.8028 126.7316 52.2841 40.9635 174.9628 13 P 4.2406 0.0000 0.0000 65.0351 31.1878 176.8450 14 A 4.4100 8.2031 120.3241 52.6707 20.0125 176.9159 15 D 4.6649 8.0002 117.0893 53.6698 42.4382 176.6780 16 H 4.2258 8.8854 123.4114 59.1115 28.2280 177.2437 17 Y 4.1130 7.7278 118.9641 60.9924 37.7254 178.3396 18 S 4.1256 8.3566 115.7997 61.6169 62.8595 175.9244 19 H 4.0891 8.4377 121.2308 59.4465 29.5018 177.0482 20 R 4.0927 8.0441 119.7678 59.8116 29.9375 179.1121 21 V 3.7119 7.4964 117.1021 65.8647 31.4651 178.2054 22 R 3.8821 8.2442 118.0932 58.9846 29.7540 178.8608 23 L 3.8611 8.1518 120.2557 58.0730 42.2014 178.9880 24 V 3.5997 7.9177 118.2506 66.0982 31.3019 177.7528 25 L 3.8938 8.1313 118.4520 57.9458 41.3667 179.3826 26 A 3.9625 8.2849 120.8122 55.3246 18.0237 179.5910 27 E 3.9688 8.1616 116.3775 59.3013 29.6701 179.1082 28 K 4.2524 8.1388 116.4641 56.1400 32.4237 177.1775 29 G 3.9478 7.4009 106.9899 46.3664 0.0000 174.0687 30 V 3.8181 7.0231 111.8661 59.5977 32.6046 176.4078 31 S 4.2490 8.3813 118.6342 58.0507 62.4682 173.6481 32 V 4.6260 7.9318 126.7391 59.8630 34.5492 174.9928 33 Q 4.2088 9.0098 125.8358 55.3977 29.7235 174.4171 34 L 4.6887 8.3699 127.4316 54.1352 43.0583 176.5009 35 I 4.2889 8.4216 125.3460 59.2567 39.2134 174.8809 36 D 5.0116 8.7278 127.7725 54.3921 41.4832 176.4064 37 V 4.5096 8.5585 116.4707 59.5011 34.5131 174.8827 38 D 4.6193 8.6793 124.9198 52.7093 41.6811 175.2655 39 P 4.2456 0.0000 0.0000 64.9638 31.5483 177.3703 40 A 4.0579 8.8228 120.7567 54.1286 18.5148 177.1416 41 H 4.6875 8.1326 111.9845 54.0712 30.4313 172.2579 42 L 4.3437 8.3126 124.6694 52.6162 42.3571 176.1615 43 P 4.3526 0.0000 0.0000 62.8693 32.9685 177.0964 44 R 3.8340 8.5975 120.4876 59.7448 29.8801 178.9391 45 K 4.2208 7.9205 116.1247 58.5363 32.4034 178.4821 46 L 3.6156 7.4091 120.4356 57.4178 40.5934 178.1269 47 A 3.8839 7.7449 120.7209 55.2960 18.0133 179.3627 48 E 4.1609 8.0955 116.1336 58.8275 29.6112 178.4459 49 V 4.1751 6.9447 108.1978 60.9479 33.5143 175.1805 50 N 4.5916 8.0982 118.2455 50.7409 39.9460 172.7377 51 P 4.2147 0.0000 0.0000 64.4496 31.6094 176.6536 52 Y 4.3068 7.9378 116.0702 57.1414 38.4026 175.5231 53 G 3.8598 7.6425 108.1634 46.3926 0.0000 173.9185 54 S 4.7278 7.9246 112.1224 56.5592 65.2142 173.3116 55 V 4.8425 7.8324 113.4510 58.9271 35.0181 173.8114 56 P 4.9586 0.0000 0.0000 62.9892 32.8014 175.4686 57 T 4.9689 8.9414 117.5924 61.9023 72.3739 172.4451 58 L 5.0674 9.3351 128.8518 53.5793 44.2207 175.1607 59 V 4.9449 9.1805 126.0206 61.3978 34.8205 173.7847 60 D 5.0409 8.6085 126.2052 52.1725 44.9491 174.4974 61 R 3.8626 8.5761 118.7499 57.7945 30.3157 176.5909 62 D 4.5147 8.9510 122.4883 54.6124 39.2035 172.8672 63 L 4.5296 7.6619 121.4005 52.9160 44.2224 174.9465 64 A 5.0714 8.4300 126.6062 50.6186 21.5084 174.7410 65 L 4.6611 8.8703 122.2138 53.9831 45.0754 175.9113 66 Y 4.9422 7.2245 118.7791 56.6598 41.6856 169.2532 67 E 3.7661 9.2596 127.9508 55.4548 30.2719 174.6923 68 S 4.2645 9.0619 121.4811 61.8441 62.9496 176.0326 69 T 4.1092 8.2896 109.7534 64.0861 69.3294 175.8102 70 V 3.7053 8.3367 122.1868 65.9218 31.7193 178.7941 71 V 3.6479 7.8942 116.8924 63.5264 30.8009 177.2428 *73 E 4.2889 8.2293 120.0417 56.0665 31.6635 177.6834 74 Y 4.0481 8.2052 119.3811 60.7454 38.8165 178.1053 75 L 4.0395 8.2947 120.0806 57.6213 41.1875 178.9245 76 E 3.9278 8.2053 118.8655 59.4588 29.3140 178.6223 77 E 3.9671 7.8322 117.3939 58.9791 29.7197 178.8035 78 R 3.7141 7.8143 118.2363 57.9103 31.4055 176.3071 79 Y 4.6095 7.3969 117.9544 55.0005 37.9177 174.2237 80 P 4.5026 0.0000 0.0000 63.8455 32.1006 176.9176 81 H 4.9311 7.5059 116.4819 53.1899 30.3880 172.4440 82 P 4.6732 0.0000 0.0000 61.0584 32.4089 174.1624 83 P 4.4559 0.0000 0.0000 63.0760 32.2471 176.8706 84 L 5.1594 9.1777 122.3135 52.8445 41.9566 174.2020 *86 P 4.4627 0.0000 0.0000 62.4774 32.8258 177.4218 87 V 3.7935 8.3824 119.0444 65.0897 32.2192 176.7142 88 Y 4.3260 7.8429 116.5622 56.1843 40.4687 174.5419 89 P 4.2793 0.0000 0.0000 65.6762 31.4591 179.4191 90 V 3.5517 7.7950 116.3352 66.0606 31.6232 177.8664 91 A 3.9913 7.9898 120.0478 55.1026 18.1955 179.5934 92 R 3.9529 8.2338 116.7975 59.3499 30.0698 179.4274 93 G 3.6357 8.1529 105.4235 48.0320 0.0000 175.4875 94 N 4.3058 8.3155 119.0148 56.0266 38.2602 177.7972 95 S 4.0612 7.9380 115.9871 61.5841 62.9897 176.6105 96 R 4.0654 8.1396 120.2638 58.9685 29.9965 178.4458 97 L 4.1369 8.1535 120.4907 57.8672 42.0826 180.2507 98 L 4.1882 7.8458 120.5204 55.0855 41.9585 178.2696 *100 H 4.6984 8.1881 117.9283 55.9058 31.7682 175.2102 101 R 3.7025 8.2024 118.5573 59.1139 29.6769 178.9767 102 I 3.2387 7.8722 119.9632 64.2659 37.1467 178.0264 103 Q 4.0622 8.0671 119.9053 59.4429 28.7467 178.5354 104 R 4.0348 7.8033 115.5576 59.0611 29.8066 177.9525 105 D 4.5053 8.0911 119.0245 55.7768 41.1204 177.0019 106 W 4.9157 7.7262 116.0199 58.6545 31.1018 177.5951 107 C 4.1074 8.5250 116.3122 63.0259 27.6532 176.2604 108 A 4.1227 8.1652 122.1829 55.0640 18.0568 179.7630 109 L 3.9769 8.0043 116.8858 57.9296 41.8323 179.2298 110 A 4.0458 8.4400 121.1196 55.4588 18.2658 179.4415 111 D 4.4722 8.6268 117.9102 57.6489 40.6419 179.1533 112 T 3.9636 7.6947 109.2770 64.5966 68.9578 176.5011 113 V 3.7333 7.4615 119.8082 65.8918 31.6404 177.6056 114 L 4.3855 7.5779 115.9510 55.2757 41.9133 176.7993 115 D 4.4262 7.7984 119.9305 53.6857 41.2938 175.2703 116 P 4.4177 0.0000 0.0000 65.0585 31.6460 177.9888 117 R 4.0648 8.8987 117.3406 58.4965 30.2304 177.3496 118 S 4.2566 7.5103 112.3012 57.8486 62.9969 174.4240 119 S 4.4719 8.3292 120.7246 58.0600 65.1566 175.2272 120 E 4.0281 8.6483 121.4086 59.2171 29.2834 179.4786 121 A 4.0211 7.9566 120.5979 54.9593 18.5913 179.3578 122 A 3.9966 7.7899 118.8382 55.0246 18.3966 179.8886 123 R 3.8234 7.8433 117.1843 59.8854 30.1036 178.7912 124 T 3.8758 7.8983 115.8095 66.6988 68.4425 176.4191 125 E 4.0075 8.2083 119.0359 59.2191 29.7190 178.8962 126 A 4.0065 8.0094 121.7834 54.7808 18.3688 179.4085 127 R 3.7977 7.9693 117.1973 59.5718 30.1656 178.6369 128 K 3.8965 7.8715 118.7370 59.3246 32.1956 178.4763 129 A 3.9738 8.3960 121.4351 55.1312 18.4104 179.2391 130 L 3.8996 8.0562 118.8039 58.3277 42.2984 178.9647 131 R 3.7859 8.2362 118.8883 59.7001 29.9571 178.3310 132 E 4.0086 8.1823 118.1719 59.4278 29.4285 179.6060 133 S 4.2612 8.1930 115.2469 61.6854 62.7777 176.6707 134 L 3.6697 7.4519 120.2957 58.1025 41.4249 179.5254 135 T 4.1131 7.8127 115.3776 66.2479 68.0981 177.2462 136 G 3.7419 8.0164 107.2928 47.7449 0.0000 175.6127 137 V 4.0854 7.9752 112.9625 61.7732 31.9343 177.8836 138 S 4.2991 7.7544 113.1416 61.4862 62.1145 174.2926 139 P 4.3723 0.0000 0.0000 65.7134 31.1284 178.4187 140 L 4.1416 8.2837 117.9142 57.6285 41.2805 178.9724 141 F 4.4275 8.2292 116.0646 59.3308 38.9008 177.0045 142 S 4.4342 8.0764 114.5392 60.4434 62.8836 174.8936 143 E 4.1107 7.9730 119.7901 57.4046 29.8859 176.4042 144 F 5.0832 7.7976 114.7423 55.3293 43.0863 174.5381 145 A 4.2477 9.1712 126.5227 54.7058 18.3840 177.2353 146 C 5.4172 8.1422 112.4348 58.0311 30.9958 173.4549 147 F 4.3640 9.1286 121.7720 59.0357 38.6831 175.3915 *149 S 3.9699 7.8840 112.3066 58.0987 63.7909 173.1355 150 D 5.1232 8.6508 117.9616 53.9403 40.7648 176.0859 151 E 4.6836 8.0404 119.8636 53.7681 32.5652 175.0603 152 Q 4.1165 8.7746 126.2234 57.1748 29.7009 175.7093 153 S 4.7587 9.2280 118.2608 55.8513 67.7273 175.0889 154 L 4.0854 8.9119 122.8419 57.8951 41.2218 180.1634 155 V 3.6862 7.6970 117.9975 66.3182 31.4260 177.8143 156 D 4.7120 8.2924 118.0032 57.7449 40.5351 178.3513 157 C 4.2559 8.0091 116.3948 63.0407 28.1369 175.7071 158 C 4.4261 8.1069 117.7755 62.4837 28.1250 175.5823 159 L 4.3103 8.2651 122.0039 58.3292 41.7757 178.9432 160 L 4.2588 8.8579 119.3367 57.5616 41.3309 177.8614 161 P 4.4963 0.0000 0.0000 65.2471 31.5795 178.4980 162 I 3.9257 7.7610 118.5566 64.1833 37.2401 177.9597 163 L 3.9735 8.0654 119.8499 57.7773 41.2987 179.2141 164 W 4.1345 8.6642 127.2657 60.3735 30.7428 177.1833 165 R 4.3033 8.0347 115.5058 55.9077 29.7847 177.8970 166 L 3.8874 7.6752 121.1610 57.7451 41.6920 177.7161 167 P 4.1944 0.0000 0.0000 65.6354 31.0596 179.1637 168 V 3.6691 7.5489 109.7179 64.1171 31.6733 177.1993 169 L 4.0790 7.9133 118.3874 55.4195 41.5893 177.3965 170 G 3.8308 7.9253 106.7501 46.3155 0.0000 173.2351 171 I 4.4532 7.6567 119.5029 58.8014 39.6549 174.8749 172 E 4.6137 8.4865 124.8789 54.0637 31.9501 175.1795 173 L 4.2724 8.2074 125.7297 53.1539 42.8878 175.1537 174 P 4.4347 0.0000 0.0000 62.3790 31.9199 177.3814 175 R 3.8952 8.3676 119.2019 59.2113 30.0916 177.6677 176 Q 4.1354 7.9650 114.8204 57.7042 29.1263 175.6088 177 A 4.7465 7.8190 121.3418 51.4246 19.1527 179.7226 178 K 3.8223 8.3547 122.8484 60.9109 32.2972 175.8499 179 P 4.2454 0.0000 0.0000 65.2333 31.0301 178.4647 180 L 3.2161 7.6714 118.2113 57.8336 42.1433 178.4477 181 L 3.9598 7.7109 117.8854 57.7765 41.8264 178.8333 182 D 4.5181 8.7164 119.2380 57.4488 40.7113 178.8761 183 Y 3.8692 7.7902 116.3068 58.4795 38.4037 177.2009 *185 E 4.1188 8.0682 120.1036 55.6070 31.4704 177.6673 186 R 4.0639 7.7385 115.6846 59.0332 29.7212 178.8684 187 Q 3.6991 7.9505 119.0972 58.8089 28.4670 178.5600 188 F 3.9042 7.4789 116.5103 60.3221 39.0236 176.8570 189 A 4.2943 7.4968 118.0310 52.6367 19.0291 178.0609 190 R 4.0208 7.5164 117.5437 56.1893 31.0255 177.3708 191 E 3.9859 9.1405 122.3017 59.4176 29.2963 177.9995 192 P 4.2148 0.0000 0.0000 65.4284 31.8042 178.1380 193 F 4.0782 8.1856 118.9756 61.4026 38.9068 176.9573 194 Q 3.8366 8.3843 117.4727 58.9799 28.2802 178.8591 195 A 3.9960 8.0476 121.1603 54.8233 18.3882 179.4873 196 S 4.0318 7.3118 112.0800 60.1330 63.5097 175.2941 197 L 3.7006 6.4409 121.8122 54.1987 41.9792 177.7160 198 S 4.4148 8.8867 119.3421 57.4340 65.2579 175.5903 199 S 4.0927 8.3991 117.4927 61.7465 62.9021 176.4738 200 V 3.7482 7.6723 121.2718 65.7373 31.1570 177.7310 201 E 4.1829 8.1834 117.6545 59.4397 29.3083 179.0212 202 R 4.3308 7.9397 117.4336 59.0316 31.2075 178.1143 203 E 4.2647 7.6805 118.1696 55.7493 27.1811 177.0694 *205 R 3.9094 7.6879 121.6105 56.4737 30.5436 176.2586 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 6 R 8.25 4.30 0.00 1.81 1.93 0.00 3.22 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 7 L 8.36 3.98 0.00 1.93 1.60 1.19 0.94 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 8 A 9.64 5.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.87 5.19 0.00 2.94 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 10 Y 9.06 4.60 0.00 3.02 2.94 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 11 S 9.11 4.88 0.00 3.86 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 12 D 8.80 5.03 0.00 2.76 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 13 P 0.00 4.24 0.00 2.20 2.16 0.00 3.95 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 14 A 8.20 4.41 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 15 D 8.00 4.66 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 16 H 8.89 4.23 0.00 3.35 3.53 0.00 5.51 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.73 4.11 0.00 3.31 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.36 4.13 0.00 4.22 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 19 H 8.44 4.09 0.00 3.41 3.50 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 20 R 8.04 4.09 0.00 2.25 2.10 0.00 3.39 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 1.93 1.90 0.00 21 V 7.50 3.71 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 1.17 0.00 0.00 1.03 0.00 0.00 22 R 8.24 3.88 0.00 1.99 1.89 0.00 3.08 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 23 L 8.15 3.86 0.00 1.77 1.93 1.01 0.93 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 24 V 7.92 3.60 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 1.02 0.00 0.00 1.03 0.00 0.00 25 L 8.13 3.89 0.00 1.92 1.65 0.92 0.69 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 26 A 8.28 3.96 1.36 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 0.00 0.00 0.00 27 E 8.16 3.97 0.00 2.11 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 2.63 2.55 0.00 28 K 8.14 4.25 0.00 1.61 1.77 0.00 2.09 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.66 1.62 7.81 29 G 7.40 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 0.00 0.00 0.00 30 V 7.02 3.82 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 -0.17 0.00 0.00 0.60 0.00 0.00 31 S 8.38 4.25 0.00 3.79 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.93 4.63 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 0.78 0.00 0.00 0.90 0.00 0.00 33 Q 9.01 4.21 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 34 L 8.37 4.69 0.00 1.51 1.52 0.86 0.81 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 35 I 8.42 4.29 1.19 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.51 0.89 0.00 0.00 36 D 8.73 5.01 0.00 2.56 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 37 V 8.56 4.51 2.15 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 0.91 0.00 0.00 1.05 0.00 0.00 38 D 8.68 4.62 0.00 2.72 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 39 P 0.00 4.25 0.00 2.09 2.12 0.00 3.74 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 2.05 2.31 0.00 40 A 8.82 4.06 1.16 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 0.00 0.00 41 H 8.13 4.69 0.00 3.10 3.19 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.31 4.34 0.00 1.58 1.56 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.35 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2.32 0.00 121 A 7.96 4.02 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 0.00 122 A 7.79 4.00 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 0.00 123 R 7.84 3.82 0.00 1.87 2.09 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 124 T 7.90 3.88 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 1.21 0.00 0.00 125 E 8.21 4.01 0.00 2.25 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 2.53 2.45 0.00 126 A 8.01 4.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.97 3.80 0.00 1.98 2.09 0.00 3.09 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 128 K 7.87 3.90 0.00 1.83 2.04 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 129 A 8.40 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.06 3.90 0.00 1.89 1.88 0.78 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.24 3.79 0.00 1.84 2.02 0.00 3.21 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 132 E 8.18 4.01 0.00 2.23 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 2.33 2.60 0.00 133 S 8.19 4.26 0.00 4.25 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 0.00 134 L 7.45 3.67 0.00 1.54 1.40 0.55 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.81 4.11 4.24 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 1.21 0.00 0.00 136 G 8.02 3.74 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 0.00 0.00 0.00 137 V 7.98 4.09 2.37 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 1.11 0.00 0.00 1.27 0.00 0.00 138 S 7.75 4.30 0.00 3.92 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 0.00 139 P 0.00 4.37 0.00 2.25 2.15 0.00 3.87 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 140 L 8.28 4.14 0.00 1.97 1.63 0.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.23 4.43 0.00 3.18 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 0.00 142 S 8.08 4.43 0.00 4.08 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 0.00 143 E 7.97 4.11 0.00 2.14 1.44 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 2.23 2.28 0.00 144 F 7.80 5.08 0.00 3.07 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 0.00 145 A 9.17 4.25 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 0.00 146 C 8.14 5.42 0.00 3.21 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.13 4.36 0.00 2.82 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 *149 S 7.88 3.97 0.00 3.98 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 0.00 150 D 8.65 5.12 0.00 2.79 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 0.00 151 E 8.04 4.68 0.00 1.93 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 2.25 2.26 0.00 152 Q 8.77 4.12 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.50 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 153 S 9.23 4.76 0.00 4.18 4.08 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 0.00 154 L 8.91 4.09 0.00 1.73 1.85 0.96 0.84 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 0.00 155 V 7.70 3.69 2.14 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 1.20 0.00 0.00 0.93 0.00 0.00 156 D 8.29 4.71 0.00 3.02 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 0.00 157 C 8.01 4.26 0.00 3.26 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 0.00 158 C 8.11 4.43 0.00 3.24 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 0.00 159 L 8.27 4.31 0.00 2.08 2.05 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 160 L 8.86 4.26 0.00 1.96 1.98 1.11 1.12 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 0.00 161 P 0.00 4.50 0.00 2.07 2.13 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 162 I 7.76 3.93 2.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.12 0.86 0.00 0.00 163 L 8.07 3.97 0.00 2.09 1.86 0.86 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 164 W 8.66 4.13 0.00 3.43 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 0.00 165 R 8.03 4.30 0.00 2.18 1.94 0.00 3.46 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 166 L 7.68 3.89 0.00 1.61 1.82 0.80 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.19 0.00 2.00 1.97 0.00 3.37 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 168 V 7.55 3.67 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 0.67 0.00 0.00 0.94 0.00 0.00 169 L 7.91 4.08 0.00 1.74 1.69 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 170 G 7.93 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 0.00 0.00 0.00 171 I 7.66 4.45 1.80 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 1.14 0.82 0.83 0.00 0.00 172 E 8.49 4.61 0.00 1.83 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 173 L 8.21 4.27 0.00 1.58 1.48 0.73 0.91 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 0.00 174 P 0.00 4.43 0.00 2.19 2.15 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 175 R 8.37 3.90 0.00 1.75 1.99 0.00 3.26 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 176 Q 7.96 4.14 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.52 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 177 A 7.82 4.75 1.25 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 0.00 0.00 178 K 8.35 3.82 0.00 1.82 1.83 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.53 7.81 179 P 0.00 4.25 0.00 2.54 2.26 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 180 L 7.67 3.22 0.00 1.24 1.60 -0.49 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 181 L 7.71 3.96 0.00 1.71 1.63 0.86 1.00 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 0.00 182 D 8.72 4.52 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 0.00 183 Y 7.79 3.87 0.00 3.10 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *185 E 8.07 4.12 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 186 R 7.74 4.06 0.00 2.04 2.11 0.00 2.83 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.54 0.00 187 Q 7.95 3.70 0.00 1.28 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 188 F 7.48 3.90 0.00 2.94 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 0.00 189 A 7.50 4.29 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 0.00 190 R 7.52 4.02 0.00 2.16 1.93 0.00 3.11 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 191 E 9.14 3.99 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 192 P 0.00 4.21 0.00 2.21 2.18 0.00 3.67 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 2.19 2.16 0.00 193 F 8.19 4.08 0.00 3.20 3.28 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 0.00 194 Q 8.38 3.84 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 195 A 8.05 4.00 1.30 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 0.00 0.00 196 S 7.31 4.03 0.00 3.97 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 0.00 197 L 6.44 3.70 0.00 1.32 1.26 0.22 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 198 S 8.89 4.41 0.00 3.94 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 S 8.40 4.09 0.00 4.03 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 V 7.67 3.75 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.94 0.00 0.00 201 E 8.18 4.18 0.00 2.00 1.83 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 2.38 2.43 0.00 202 R 7.94 4.33 0.00 2.04 2.08 0.00 3.15 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 203 E 7.68 4.26 0.00 2.12 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 2.36 2.62 0.00 *205 R 7.69 3.91 0.00 1.40 1.61 0.00 2.21 0.00 0.00 2.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.84 0.00 * Residues marked with a * may have inaccurate shift predictions.