NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 D 4.5250 8.4645 119.5664 52.5503 41.4562 175.6778 15 I 3.7627 8.1951 120.2126 60.7114 35.5297 175.3070 16 G 4.1404 9.9160 117.9591 45.1200 0.0000 170.5328 17 Q 5.2316 9.3803 118.8923 53.6974 32.3167 175.4480 18 V 4.2055 8.8376 124.6804 62.9313 31.9008 175.6985 19 I 4.2621 8.5407 129.6657 60.7995 38.3351 175.4977 20 H 4.2162 8.6304 124.6834 54.8578 30.9414 174.1945 21 P 2.0000 0.0000 0.0000 65.2027 31.2077 178.2997 22 D 4.2930 7.8600 115.8227 56.8603 40.9070 176.8644 23 D 4.8523 7.9570 117.7820 54.0611 41.3304 178.3721 24 F 4.6702 8.0740 121.4279 60.8332 38.9274 177.5770 25 D 4.6650 8.1351 117.4676 55.3837 39.0768 177.3484 26 K 4.1488 7.6026 116.0633 57.3363 32.8235 176.9983 27 A 4.3358 8.1634 123.4055 51.1785 19.4448 178.2337 28 A 4.0553 8.8671 123.1141 55.4644 18.4431 180.2925 29 A 4.2067 8.9224 119.4485 55.2482 18.1913 179.2823 30 D 4.3514 8.0279 116.4710 57.5247 40.9715 178.1569 31 D 4.2888 7.6753 118.6715 56.6078 40.7257 177.2091 32 Y 4.4802 7.2670 114.3510 56.7193 38.6528 175.7269 33 V 3.9853 6.8631 120.6960 62.3418 32.6718 176.9237 34 L 4.3707 9.2588 128.4141 53.6839 40.0793 177.1525 35 H 4.2245 8.0648 119.8042 58.6166 29.3991 177.8658 36 E 3.9375 8.3083 117.8390 59.0593 29.3464 177.2843 37 D 4.7409 7.9731 116.3235 53.9448 41.0876 176.8069 38 G 3.9235 8.3378 105.9882 46.0456 0.0000 174.0297 39 E 4.3580 8.0294 120.8357 55.9041 30.2946 176.1911 40 K 4.6329 9.4356 127.2873 54.5676 35.7390 175.0463 41 I 3.9573 8.3670 128.1611 61.5683 37.1438 175.2212 42 Y 4.5868 8.6865 123.7105 58.4470 40.5017 176.0241 43 F 4.6740 7.6570 119.6846 57.0086 43.2109 172.5441 44 L 5.3694 8.3185 126.9880 53.5476 45.6321 174.5347 45 I 5.0578 9.1666 127.0004 59.6586 39.9524 174.2463 46 K 5.0455 9.2182 129.5734 54.7233 33.6729 175.1606 47 S 5.0198 9.3240 123.3864 56.7080 66.5113 175.6687 48 K 4.1688 9.0082 121.0440 57.1014 31.3692 175.9357 49 T 4.5221 7.6170 104.8935 61.6937 70.2956 173.5656 50 D 5.1692 8.1945 120.4887 52.2311 45.4573 174.7998 51 E 4.8532 8.5303 120.4235 54.9984 33.2795 173.5945 52 Y 4.8585 9.3877 125.5944 56.6139 40.6002 174.4347 53 C 5.0834 9.1070 126.9092 57.7041 33.7458 172.5511 54 F 5.1853 9.6968 127.1838 56.5011 40.1552 175.5939 55 T 5.2612 8.5859 114.9752 59.4393 71.2762 174.1902 56 N 4.8901 9.1297 118.0829 55.2166 37.7065 176.3579 57 L 4.9883 8.3273 118.2083 55.5346 44.6031 175.9011 58 A 3.9303 7.3824 118.1978 50.7821 23.1680 174.5970 59 L 4.5946 8.3738 121.5417 53.6345 43.9099 175.3064 60 V 4.5951 8.8118 127.7492 61.5462 33.5147 173.7104 61 H 5.3307 9.0315 128.4547 54.3845 32.7044 172.3397 62 L 4.7605 8.6179 126.3947 53.4325 43.0775 174.8637 63 D 5.1811 8.3193 125.0301 51.8601 43.1910 175.5841 64 G 4.5466 8.5201 111.2552 43.9341 0.0000 172.9709 *70 S 4.5283 8.6523 113.2060 57.8693 63.8885 174.1116 71 K 3.9857 7.8987 119.4376 56.8636 32.4012 175.5008 72 R 4.7989 8.1322 121.2470 54.3143 33.1838 175.0835 73 V 3.7389 8.4884 124.4429 61.7510 32.9488 174.3316 74 L 4.4989 8.0025 130.5103 54.1945 42.7155 174.9596 75 Y 4.5287 8.8760 124.6528 56.2243 40.8797 175.0739 76 R 4.5681 7.7920 121.7479 55.0099 33.2080 174.0503 77 Y 4.3442 8.4216 124.7601 55.1613 39.7758 173.4295 78 P 4.6561 0.0000 0.0000 62.2873 31.1729 177.6389 79 Y 4.5982 8.7106 121.6535 60.8383 37.5692 178.8129 80 A 4.3563 8.3364 120.0988 55.0762 18.4248 178.2345 81 H 4.9682 7.6389 111.4714 55.1487 30.0961 174.4818 82 Y 4.5949 7.9679 117.9266 55.2374 39.5182 172.7690 83 P 4.6985 0.0000 0.0000 62.3312 33.4319 175.4246 84 I 4.8693 9.2376 124.0895 60.6909 38.7333 175.3018 85 R 4.5940 8.9418 124.8619 54.6553 34.6890 174.2970 86 H 4.0261 8.2359 115.1323 57.0896 26.0790 175.2099 87 V 4.4189 7.2102 116.6613 62.0319 32.6630 174.6015 *89 F 4.6843 8.1513 125.8973 58.0825 40.2804 173.7684 90 E 4.4495 7.0976 125.4972 54.6830 32.6940 175.1088 91 T 4.3992 8.3458 116.9161 60.8020 70.8766 173.4941 92 A 4.4756 8.2961 123.5865 50.7043 20.5879 177.9510 93 G 3.9059 8.4252 110.8471 44.6685 0.0000 174.6654 94 T 3.9139 8.4588 115.0590 66.6069 68.3442 176.1754 95 V 3.8602 7.6137 118.2206 64.0697 32.0628 175.4667 96 D 4.7436 7.3805 117.8132 54.0247 41.8466 176.1901 97 L 4.6915 8.3468 120.7326 55.0592 43.1966 175.6286 98 D 5.4413 7.9568 117.1566 51.6311 42.8484 175.2522 99 V 4.3401 8.8194 113.0973 59.6776 35.0537 174.3255 100 E 4.9985 8.2809 123.3384 54.4119 32.4939 174.2230 101 I 5.0486 8.6316 127.0266 59.3623 40.4321 174.3186 102 K 5.3690 8.3872 127.3992 54.9097 36.3429 174.7528 103 F 5.3475 8.0283 115.6861 57.3350 41.8734 172.1761 104 E 5.1161 9.3162 119.4461 54.5333 32.4585 174.9772 105 I 4.7967 8.7531 125.1106 59.0413 40.4378 174.8545 106 G 3.8560 8.9767 118.9837 47.3847 0.0000 175.1672 107 G 3.8738 8.7060 112.5185 44.9159 0.0000 172.9407 108 K 4.0193 7.8498 123.1473 56.1948 32.7675 175.1566 109 H 4.9364 8.4817 123.4953 55.4072 29.9917 174.1586 110 Y 4.2479 8.9216 120.5529 55.9596 41.0947 174.7767 111 S 4.8861 8.4229 117.6115 56.7880 65.5622 172.9723 112 I 4.4218 8.8458 128.6426 59.4623 40.1689 174.5610 113 D 5.1388 8.6889 127.9501 53.9051 42.1665 175.8834 114 V 4.9083 9.1160 123.0333 60.4954 35.7581 173.6855 115 D 4.8103 8.9366 126.1365 54.6121 41.4554 177.3763 116 K 4.0547 9.0739 126.7889 59.7218 32.6815 179.3039 117 K 4.0156 8.1447 118.3085 59.1888 32.2158 177.3683 118 Q 4.6968 8.3999 117.5267 55.8313 29.3860 177.6215 119 L 4.0601 7.9515 122.4974 58.5861 41.8217 178.0272 120 E 3.9135 8.3368 115.4456 59.8952 29.3428 178.4240 121 H 4.6909 8.2341 116.4462 58.3866 29.2310 177.7487 122 V 3.7092 7.9801 119.8415 65.7873 31.4420 177.8972 123 K 3.3996 8.3523 119.0374 60.0336 32.3164 178.8903 124 D 4.3678 7.9183 119.4023 56.7148 40.6514 178.4818 125 L 3.5430 7.3677 120.7424 57.8335 42.0130 177.6909 126 Y 3.9146 7.7406 119.5266 60.9835 38.6636 178.3880 127 K 3.2006 7.8655 118.6348 59.1675 32.0108 179.2665 128 A 3.8094 7.2245 120.2719 55.1528 18.2618 179.7966 129 L 3.5061 7.7458 117.8585 57.3156 41.5820 179.4983 130 L 3.5526 7.4285 120.3529 57.9174 42.0539 178.9031 131 A 4.0465 7.4849 120.1853 54.7539 18.3770 179.7902 132 I 2.6729 7.2862 118.2285 64.0964 37.0926 178.1409 133 A 3.9755 7.5259 123.0183 54.4827 18.0476 179.3105 134 E 3.8209 7.8947 117.3955 59.2217 29.6512 178.8331 135 K 4.0097 7.8909 119.3680 59.7515 32.3745 178.7809 136 Q 4.0496 8.1237 118.2599 58.9546 28.3779 177.9545 137 Y 3.9664 7.8095 119.4809 60.8024 39.1846 177.5876 138 E 4.0616 8.6325 120.4126 59.2064 29.5244 178.7455 139 G 3.7945 8.2560 105.1331 48.1927 0.0000 175.2896 140 Q 4.0621 7.7719 119.7992 58.3166 28.6146 179.3046 141 K 3.2535 7.0392 116.1022 56.7442 31.8290 178.7925 *143 L 4.2396 7.8779 121.3625 54.9662 43.8930 178.9985 144 E 3.8456 7.7932 117.9261 59.5775 29.3502 179.4162 145 F 4.5070 7.5218 117.2871 60.7626 39.0401 177.6423 146 A 4.4284 8.0443 119.8146 55.2024 18.1633 179.3818 147 N 4.4368 8.1907 114.5538 56.6438 38.7543 177.7682 148 S 4.1002 8.1903 116.5143 61.8973 63.0481 177.0874 149 S 4.1957 8.8584 118.0710 61.3667 62.6134 176.4831 150 L 3.5739 7.9033 122.9275 58.1631 41.8411 178.8545 151 N 4.3242 8.1119 116.4237 56.5808 38.4257 177.0690 152 H 4.2468 8.2341 117.6754 59.0938 28.7894 178.0674 153 S 4.0881 7.9451 116.6421 61.4462 62.5418 176.8648 154 V 3.6547 7.7022 120.9033 66.1192 30.9891 178.2733 155 T 3.8481 7.7081 114.7169 66.7029 68.3995 176.4357 156 I 3.8577 7.4900 120.3486 64.1577 37.2985 177.9044 157 L 4.3880 8.2854 117.3343 54.4021 42.1821 177.6014 158 G 3.6955 7.4577 108.6574 46.8974 0.0000 175.0931 159 G 3.6793 8.0603 111.5587 45.7288 0.0000 172.7189 160 L 4.9497 7.3229 118.6375 54.1579 44.9243 169.4844 161 R 4.2555 7.5487 118.3271 56.8920 31.2328 171.5489 *163 G 3.7618 8.6256 106.4337 46.9513 0.0000 172.1388 164 D 4.3334 8.4299 124.4246 54.2262 41.6458 176.6389 *166 N 4.4556 8.3005 118.4654 53.1047 39.1107 174.9115 167 V 3.6066 8.0029 125.6941 65.4830 31.9718 175.5853 168 P 4.3071 0.0000 0.0000 65.5543 31.1188 178.4343 169 Q 4.0401 8.1837 118.6785 59.4783 28.8907 178.4030 170 T 3.8852 8.2698 117.0651 66.5265 68.4883 176.3719 171 F 4.1382 8.6157 122.9235 61.0335 39.3719 177.2023 172 K 3.7709 8.0638 118.6873 59.7001 32.0608 178.6140 173 D 4.3573 8.2986 119.4358 57.2361 40.6963 178.6646 174 L 3.9288 8.2533 121.2309 58.2642 42.1198 179.1467 175 S 4.0188 7.8423 115.1214 61.4158 62.6184 176.5960 176 Q 3.9669 7.9398 122.2431 59.2625 28.9093 177.8895 177 E 4.0431 8.4892 120.0302 59.6100 29.4630 179.2929 178 S 4.1721 8.1192 112.9875 61.4311 62.3488 176.0135 179 F 4.1154 8.2649 123.2307 61.4863 39.0740 176.7974 180 D 4.3317 8.7707 118.9865 56.9624 40.6291 178.5800 181 W 4.1210 8.3671 128.7829 60.6391 30.9179 178.0693 182 L 4.0415 8.2778 119.0605 57.6500 40.9923 179.4884 183 Q 3.6026 8.0827 119.8351 58.9148 28.9664 177.9718 184 G 3.6334 8.3991 107.3569 48.4779 0.0000 175.2837 185 H 3.8713 7.8451 118.5444 58.2444 28.5208 177.2892 186 Y 3.9630 7.6285 121.0444 60.9288 38.3550 177.7867 187 Y 4.3190 7.6501 116.4903 60.5107 38.1128 177.6272 188 K 3.6540 7.7878 120.0945 58.9863 32.3461 178.3848 189 W 4.8205 7.5663 116.0576 57.1336 30.7387 177.3296 190 N 4.8050 7.2966 118.7033 50.9275 35.2835 174.6761 191 Q 4.0895 7.2181 118.8330 56.1173 30.2057 177.1596 192 K 4.2732 8.4603 119.0822 57.9522 33.1069 176.6611 193 D 5.1389 7.6696 117.3439 52.8654 42.5223 175.6411 194 F 4.8765 9.4141 125.6462 56.7685 40.3783 177.5313 195 G 3.6344 9.4223 111.1312 48.1415 0.0000 176.3228 196 S 4.1481 8.1752 116.0927 60.8478 62.6064 176.5560 197 F 3.8881 8.2453 121.3611 60.5091 38.6769 177.2941 198 Y 4.1820 7.6967 115.8469 61.1367 37.9548 177.5963 199 E 4.1443 8.4166 120.6613 59.6045 29.3867 178.9614 200 K 3.8583 7.9979 118.4601 58.9660 32.2386 177.5750 201 Y 4.5931 7.3596 115.0954 59.4170 38.8456 177.7549 202 I 4.1638 8.3868 120.7261 64.0517 37.3911 175.7430 203 N 4.5831 7.7745 119.7778 53.6126 38.3500 174.6161 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 14 D 8.46 4.52 0.00 2.71 2.53 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 0.00 0.00 0.00 0.00 15 I 8.20 3.76 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.01 0.91 0.00 0.00 16 G 9.92 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 9.38 5.23 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 18 V 8.84 4.21 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 0.31 0.00 0.00 1.15 0.00 0.00 19 I 8.54 4.26 2.10 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 1.37 1.06 1.00 0.00 0.00 20 H 8.63 4.22 0.00 3.05 3.02 0.00 5.71 0.00 0.00 0.00 0.00 6.80 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 2.00 0.00 1.79 1.71 0.00 2.81 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 22 D 7.86 4.29 0.00 2.62 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 23 D 7.96 4.85 0.00 2.77 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 24 F 8.07 4.67 0.00 3.10 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.14 4.67 0.00 2.77 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 26 K 7.60 4.15 0.00 2.01 1.92 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.39 7.81 27 A 8.16 4.34 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 28 A 8.87 4.06 1.45 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 0.00 0.00 0.00 29 A 8.92 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.03 4.35 0.00 3.05 2.77 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 31 D 7.68 4.29 0.00 2.08 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 0.00 0.00 0.00 32 Y 7.27 4.48 0.00 2.95 2.95 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 33 V 6.86 3.99 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 0.67 0.00 0.00 0.92 0.00 0.00 34 L 9.26 4.37 0.00 1.70 1.77 0.93 1.24 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 35 H 8.06 4.22 0.00 3.19 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.31 3.94 0.00 1.94 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 0.00 2.32 2.42 0.00 37 D 7.97 4.74 0.00 2.64 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 38 G 8.34 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.03 4.36 0.00 2.04 1.82 0.00 0.00 0.00 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 2.45 0.00 40 K 9.44 4.63 0.00 1.84 1.68 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.63 1.19 7.81 41 I 8.37 3.96 1.28 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.51 0.08 0.00 0.00 42 Y 8.69 4.59 0.00 2.46 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 43 F 7.66 4.67 0.00 3.04 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 44 L 8.32 5.37 0.00 1.48 1.56 1.04 0.97 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 45 I 9.17 5.06 2.34 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.22 1.18 0.00 0.00 46 K 9.22 5.05 0.00 1.91 1.73 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.42 7.81 47 S 9.32 5.02 0.00 3.97 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.01 4.17 0.00 1.80 1.78 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.01 7.81 49 T 7.62 4.52 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 1.23 0.00 0.00 50 D 8.19 5.17 0.00 2.64 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 0.00 0.00 0.00 0.00 51 E 8.53 4.85 0.00 1.96 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 2.23 2.32 0.00 52 Y 9.39 4.86 0.00 3.15 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 53 C 9.11 5.08 0.00 2.92 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.70 5.19 0.00 3.07 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 55 T 8.59 5.26 4.46 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 1.21 0.00 0.00 56 N 9.13 4.89 0.00 3.33 3.49 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 0.00 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*70 S 8.65 4.53 0.00 3.86 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 71 K 7.90 3.99 0.00 1.99 1.68 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.43 1.05 7.81 72 R 8.13 4.80 0.00 1.56 1.65 0.00 3.51 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 73 V 8.49 3.74 1.89 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 0.29 0.00 0.00 0.83 0.00 0.00 74 L 8.00 4.50 0.00 1.45 1.17 0.92 0.92 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 75 Y 8.88 4.53 0.00 2.76 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.79 4.57 0.00 1.61 1.59 0.00 3.13 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 77 Y 8.42 4.34 0.00 2.78 2.50 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 78 P 0.00 4.66 0.00 2.35 2.02 0.00 4.11 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 2.32 2.17 0.00 79 Y 8.71 4.60 0.00 3.24 2.77 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 80 A 8.34 4.36 1.29 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 0.00 0.00 81 H 7.64 4.97 0.00 3.07 2.98 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 82 Y 7.97 4.59 0.00 3.26 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 83 P 0.00 4.70 0.00 2.09 1.96 0.00 3.64 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 2.11 2.12 0.00 84 I 9.24 4.87 1.62 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.15 0.79 0.00 0.00 85 R 8.94 4.59 0.00 1.66 1.54 0.00 3.29 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 86 H 8.24 4.03 0.00 3.38 3.34 0.00 5.61 0.00 0.00 0.00 0.00 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.21 4.42 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.87 0.00 0.00 *89 F 8.15 4.68 0.00 2.16 2.48 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 90 E 7.10 4.45 0.00 1.84 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 2.02 2.10 0.00 91 T 8.35 4.40 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 1.25 0.00 0.00 92 A 8.30 4.48 1.29 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 0.00 0.00 93 G 8.43 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 94 T 8.46 3.91 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 95 V 7.61 3.86 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 0.80 0.00 0.00 0.93 0.00 0.00 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0.00 0.00 2.29 2.32 0.00 121 H 8.23 4.69 0.00 3.64 3.70 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.98 3.71 2.27 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 1.33 0.00 0.00 1.17 0.00 0.00 123 K 8.35 3.40 0.00 1.65 1.97 0.00 1.29 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.40 7.81 124 D 7.92 4.37 0.00 3.05 2.95 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 0.00 125 L 7.37 3.54 0.00 0.32 1.27 -0.04 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 7.74 3.91 0.00 2.73 2.85 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 0.00 127 K 7.87 3.20 0.00 1.19 0.74 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.54 7.81 128 A 7.22 3.81 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 129 L 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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 E 8.63 4.06 0.00 2.33 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 2.31 2.38 0.00 139 G 8.26 3.79 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 0.00 0.00 0.00 140 Q 7.77 4.06 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 141 K 7.04 3.25 0.00 1.49 1.15 0.00 1.42 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.02 1.34 7.81 *143 L 7.88 4.24 0.00 1.77 1.71 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 144 E 7.79 3.85 0.00 1.73 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 2.19 2.27 0.00 145 F 7.52 4.51 0.00 3.01 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 0.00 146 A 8.04 4.43 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 0.00 147 N 8.19 4.44 0.00 2.93 2.91 0.00 0.00 6.98 7.81 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 0.00 148 S 8.19 4.10 0.00 4.13 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 0.00 149 S 8.86 4.20 0.00 4.12 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.90 3.57 0.00 1.74 1.82 1.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.11 4.32 0.00 2.86 2.79 0.00 0.00 7.06 8.29 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 0.00 152 H 8.23 4.25 0.00 3.30 3.28 0.00 5.62 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 0.00 153 S 7.95 4.09 0.00 3.86 3.79 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 0.00 154 V 7.70 3.65 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 1.09 0.00 0.00 0.95 0.00 0.00 155 T 7.71 3.85 4.42 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 1.22 0.00 0.00 156 I 7.49 3.86 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.68 0.89 0.00 0.00 157 L 8.29 4.39 0.00 1.59 1.70 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 158 G 7.46 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 0.00 159 G 8.06 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 0.00 160 L 7.32 4.95 0.00 1.78 1.67 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 161 R 7.55 4.26 0.00 1.76 1.49 0.00 3.26 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.19 0.00 *163 G 8.63 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 D 8.43 4.33 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *166 N 8.30 4.46 0.00 2.79 2.79 0.00 0.00 6.55 7.71 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 0.00 167 V 8.00 3.61 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 1.11 0.00 0.00 0.94 0.00 0.00 168 P 0.00 4.31 0.00 2.23 2.10 0.00 3.94 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 2.11 2.12 0.00 169 Q 8.18 4.04 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 170 T 8.27 3.89 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 171 F 8.62 4.14 0.00 3.12 3.26 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 0.00 172 K 8.06 3.77 0.00 1.96 1.99 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.47 7.81 173 D 8.30 4.36 0.00 2.72 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 0.00 174 L 8.25 3.93 0.00 1.89 1.60 0.90 0.99 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 0.00 175 S 7.84 4.02 0.00 3.77 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 0.00 176 Q 7.94 3.97 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 177 E 8.49 4.04 0.00 2.16 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 0.00 2.56 2.49 0.00 178 S 8.12 4.17 0.00 3.92 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 0.00 179 F 8.26 4.12 0.00 3.28 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 0.00 180 D 8.77 4.33 0.00 2.81 2.77 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 0.00 181 W 8.37 4.12 0.00 3.62 3.29 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 0.00 182 L 8.28 4.04 0.00 1.60 1.62 0.98 0.86 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 0.00 183 Q 8.08 3.60 0.00 1.35 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.09 0.00 184 G 8.40 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 0.00 185 H 7.85 3.87 0.00 3.14 3.45 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 Y 7.63 3.96 0.00 3.00 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 0.00 187 Y 7.65 4.32 0.00 2.95 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 0.00 188 K 7.79 3.65 0.00 1.22 0.74 0.00 1.19 0.00 0.00 0.69 0.00 0.00 2.27 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.67 7.81 189 W 7.57 4.82 0.00 3.23 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 0.00 190 N 7.30 4.81 0.00 2.33 2.53 0.00 0.00 6.98 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 0.00 191 Q 7.22 4.09 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.81 6.93 0.00 0.00 0.00 0.00 0.00 1.92 1.35 0.00 192 K 8.46 4.27 0.00 1.72 1.91 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.40 7.81 193 D 7.67 5.14 0.00 2.61 2.48 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 0.00 194 F 9.41 4.88 0.00 2.89 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 0.00 195 G 9.42 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 0.00 196 S 8.18 4.15 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 0.00 197 F 8.25 3.89 0.00 3.05 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 0.00 198 Y 7.70 4.18 0.00 2.54 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 0.00 199 E 8.42 4.14 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 200 K 8.00 3.86 0.00 1.59 1.47 0.00 1.38 0.00 0.00 0.93 0.00 0.00 2.74 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.57 1.08 7.81 201 Y 7.36 4.59 0.00 3.00 2.93 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 0.00 202 I 8.39 4.16 2.34 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.77 1.15 0.00 0.00 203 N 7.77 4.58 0.00 2.85 2.78 0.00 0.00 6.88 7.44 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 * Residues marked with a * may have inaccurate shift predictions.